Selected Cell
Cell:
Value:
Muscle SW NEG Measurements
A
B
C
D
E
F
G
H
I
J
K
L
M
N
O
P
Q
R
S
T
U
V
W
X
Y
Z
AA
AB
AC
AD
AE
AF
AG
AH
AI
AJ
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AU
AV
AW
AX
AY
AZ
BA
BB
BC
BD
BE
BF
BG
BH
BI
BJ
BK
BL
BM
BN
BO
BP
BQ
BR
BS
BT
BU
BV
BW
BX
BY
BZ
CA
CB
CC
CD
CE
CF
CG
CH
CI
CJ
CK
CL
CM
CN
CO
CP
CQ
CR
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
| Normalised abundance | Raw abundance | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Blank | QC | D0_MA_M_T1 | D0_MA_M_T2 | D0_VO_M_T1 | D0_VO_M_T2 | D6_MA_VO_M_T1 | D6_MA_VO_M_T2 | D6_VO_MA_M_T1 | D6_VO_MA_M_T2 | D20_MA_VO_M_T1 | D20_MA_VO_M_T2 | D20_VO_MA_M_T1 | D20_VO_MA_M_T2 | Blank | QC | D0_MA_M_T1 | D0_MA_M_T2 | D0_VO_M_T1 | D0_VO_M_T2 | D6_MA_VO_M_T1 | D6_MA_VO_M_T2 | D6_VO_MA_M_T1 | D6_VO_MA_M_T2 | D20_MA_VO_M_T1 | D20_MA_VO_M_T2 | D20_VO_MA_M_T1 | D20_VO_MA_M_T2 | Tags | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Compound | Neutral mass (Da) | m/z | Charge | Retention time (min) | Chromatographic peak width (min) | Identifications | Anova (p) | Max Fold Change | Highest Mean | Lowest Mean | Isotope Distribution | Maximum Abundance | Minimum CV% | 20170530_MSe_NEG_SW_M_blank_1 | 20170530_MSe_NEG_SW_M_blank_2 | 20170530_MSe_NEG_SW_M_blank_3 | 20170530_MSe_NEG_SW_M_QC_1 | 20170530_MSe_NEG_SW_M_QC_2 | 20170530_MSe_NEG_SW_M_QC_3 | 20170530_MSe_NEG_SW_M_QC_4 | 20170530_MSe_NEG_SW_M_QC_5 | 20170530_MSe_NEG_SW_M_QC_6 | 20170530_MSe_NEG_SW_M_QC_7 | 20170530_MSe_NEG_SW_M_QC_8 | 20170530_MSe_NEG_SW_D0_MA_M_T1-1 | 20170530_MSe_NEG_SW_D0_MA_M_T1-2 | 20170530_MSe_NEG_SW_D0_MA_M_T2-1 | 20170530_MSe_NEG_SW_D0_MA_M_T2-2 | 20170530_MSe_NEG_SW_D0_VO_M_T1-1 | 20170530_MSe_NEG_SW_D0_VO_M_T1-2 | 20170530_MSe_NEG_SW_D0_VO_M_T2-1 | 20170530_MSe_NEG_SW_D0_VO_M_T2-2 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T1-1 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T1-2 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T2-1 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T2-2 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T1-1 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T1-2 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T2-1 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T2-2 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T1-1 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T1-2 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T2-1 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T2-2 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T1-1 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T1-2 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T2-1 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T2-2 | 20170530_MSe_NEG_SW_M_blank_1 | 20170530_MSe_NEG_SW_M_blank_2 | 20170530_MSe_NEG_SW_M_blank_3 | 20170530_MSe_NEG_SW_M_QC_1 | 20170530_MSe_NEG_SW_M_QC_2 | 20170530_MSe_NEG_SW_M_QC_3 | 20170530_MSe_NEG_SW_M_QC_4 | 20170530_MSe_NEG_SW_M_QC_5 | 20170530_MSe_NEG_SW_M_QC_6 | 20170530_MSe_NEG_SW_M_QC_7 | 20170530_MSe_NEG_SW_M_QC_8 | 20170530_MSe_NEG_SW_D0_MA_M_T1-1 | 20170530_MSe_NEG_SW_D0_MA_M_T1-2 | 20170530_MSe_NEG_SW_D0_MA_M_T2-1 | 20170530_MSe_NEG_SW_D0_MA_M_T2-2 | 20170530_MSe_NEG_SW_D0_VO_M_T1-1 | 20170530_MSe_NEG_SW_D0_VO_M_T1-2 | 20170530_MSe_NEG_SW_D0_VO_M_T2-1 | 20170530_MSe_NEG_SW_D0_VO_M_T2-2 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T1-1 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T1-2 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T2-1 | 20170530_MSe_NEG_SW_D6_MA_VO_M_T2-2 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T1-1 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T1-2 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T2-1 | 20170530_MSe_NEG_SW_D6_VO_MA_M_T2-2 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T1-1 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T1-2 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T2-1 | 20170530_MSe_NEG_SW_D20_MA_VO_M_T2-2 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T1-1 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T1-2 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T2-1 | 20170530_MSe_NEG_SW_D20_VO_MA_M_T2-2 | Cohorts + QCs, Anova p-value <= 0.05 | Cohorts, Anova p-value <= 0.05 | Accepted Compound ID | Accepted Description | Adducts | Formula | Score | Fragmentation Score | Mass Error (ppm) | Isotope Similarity | Retention Time Error (mins) | Compound Link |
| 2.05_474.3868n | 474.386778555221 | 455.368937435221 | 1 | 2.0482 | 0.233483333333333 | 0 | 2.54842085167795E-6 | Infinity | D20_VO_MA_M_T1 | Blank | 100 - 8.68 | 1291.76618576494 | 7.57 | 0 | 0 | 0 | 847.924203852964 | 882.398806264027 | 805.650028546154 | 884.8278784371 | 802.149936152127 | 1061.9770447301 | 1316.40877577376 | 1036.75476563435 | 162.986118659069 | 1616.99897182183 | 955.087286098291 | 144.085434794084 | 1397.50130840919 | 450.705518386251 | 100.661804818571 | 1034.78387888509 | 1148.38108044885 | 1278.24983877095 | 1848.53639158623 | 125.50373665494 | 156.977525465254 | 1025.38568196387 | 990.318691655484 | 570.104845666116 | 125.600612106036 | 1598.63338918725 | 81.9129644617133 | 944.131695193355 | 1371.18407521522 | 1212.34829631466 | 50.6045447627164 | 734.656744607721 | 0 | 0 | 0 | 858.280965564699 | 886.526922724861 | 820.371286258001 | 884.8278784371 | 758.93897229067 | 651.661170734423 | 498.80615815786 | 413.284490861278 | 149.336953949117 | 2588.17865808795 | 881.61051400407 | 128.039499558119 | 2171.26315444558 | 204.67043706227 | 61.586071988123 | 1533.31317980938 | 569.59409540293 | 1716.4998477548 | 3086.75787992088 | 100.613605046015 | 136.655596169162 | 1131.19234245122 | 1273.17317902891 | 447.566208376813 | 115.920888972183 | 1690.90885777627 | 72.2815355230007 | 699.551252866563 | 1030.8002818507 | 1280.88467968287 | 46.9372780147004 | 563.460739116338 | M-H2O-H, M+Na-2H, M+Cl | |||||||||||
| 2.06_710.5363n | 710.536326007755 | 755.515463860512 | 1 | 2.05581666666667 | 0.14105 | 0 | 0 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 12.8 - 0.791 | 746.741944622133 | 1.31 | 0 | 0 | 0 | 539.971906320578 | 595.078278719309 | 481.82437633677 | 434.811817427598 | 411.379403419419 | 603.016496951919 | 577.8166481279 | 736.120929974531 | 508.220514626347 | 529.919942781727 | 748.260872589774 | 734.537444523674 | 614.947273419226 | 851.672811533318 | 499.039913691946 | 535.920396078786 | 792.158714344503 | 701.325174899763 | 844.663695320623 | 559.720216447678 | 473.680881917828 | 630.2209900173 | 511.691440687586 | 352.932466858332 | 527.466859225921 | 606.585047830361 | 371.384744282253 | 804.614154870046 | 392.924529322912 | 588.031521447263 | 382.278488973506 | 1010.85460430711 | 0 | 0 | 0 | 546.567260409283 | 597.8622267714 | 490.62852275839 | 434.811817427598 | 389.218832516958 | 370.029124759217 | 218.943011985711 | 293.441972818624 | 465.659923760191 | 848.193171611968 | 690.695669489957 | 652.736391696492 | 955.428341045235 | 386.754187511838 | 305.318468161508 | 794.11152744439 | 392.908707740333 | 941.775636834457 | 1410.45225253949 | 448.715474892754 | 412.35930506971 | 695.25171893781 | 657.840575676758 | 277.072975621346 | 486.816315618065 | 641.598028233642 | 327.716860974863 | 596.176193405135 | 295.384640832076 | 621.2740755128 | 354.575103878987 | 775.29660846736 | M-H, M+Na-2H, M+FA-H | |||||||||||
| 14.33_1518.9854n | 1518.98543722968 | 1517.98055296471 | 1 | 14.3252833333333 | 0.176083333333333 | 0 | 1.99840144432528E-15 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 82.8 - 30.5 - 4.34 | 4604.66146553026 | 6.34 | 0 | 0 | 0 | 1737.49353081214 | 1630.24768507109 | 1721.79569074969 | 1744.36659466522 | 1748.21885972423 | 1770.46369593533 | 2033.01784877004 | 2036.6565574629 | 195.14500634961 | 70.290421182918 | 99.261887834155 | 238.330908404084 | 2159.63426877023 | 6328.00118360875 | 5372.99495478415 | 3505.64405751379 | 153.004990477687 | 63.31020121373 | 68.4585240567496 | 219.393558975985 | 4086.29247388778 | 3373.44416853332 | 3758.15377426409 | 5451.16915679643 | 243.092489210307 | 50.8337486337789 | 258.153097720853 | 288.993817004232 | 2766.37481930878 | 2528.82656616052 | 3137.87125046241 | 3781.1562110687 | 0 | 0 | 0 | 1758.71571835265 | 1637.87445457282 | 1753.25724004847 | 1744.36659466522 | 1654.04416922705 | 1086.40996579096 | 770.33960975783 | 811.878176316192 | 178.802716859534 | 112.507287353851 | 91.6254725910756 | 211.78941705594 | 3355.37025020505 | 2873.616397281 | 3287.26128717404 | 5194.56318057236 | 75.8900861630433 | 85.0162053211622 | 114.31470299516 | 175.883025324891 | 3557.29097197607 | 3721.54037086124 | 4831.55637511068 | 4279.49197287978 | 224.357962745672 | 53.7679473106273 | 227.799133212963 | 214.12901164662 | 2079.64779856459 | 2671.78600078582 | 2910.4724871629 | 2900.03881273931 | x | x | M-2H, M-H, M+Na-2H | |||||||||
| 14.50_1494.9673n | 1494.96733651772 | 1493.98022407426 | 1 | 14.5042 | 0.221766666666667 | 0 | 1.58911641623405E-8 | 455.235225287111 | D0_VO_M_T1 | Blank | 100 - 85.1 - 44 - 16.3 - 0.49 | 7830.08575359824 | 9.32 | 0 | 51.6002628003572 | 0 | 2956.78736418018 | 2917.40546247783 | 3133.95832721752 | 2949.66110997278 | 3075.8517429483 | 3245.61820029305 | 3750.11335757001 | 3507.31351036169 | 195.016233364999 | 72.3582205924496 | 45.4110412689311 | 186.487659088914 | 3888.31301442721 | 11771.8584927693 | 9923.84648879956 | 4999.81310970598 | 100.850283975562 | 42.7152529472699 | 92.1699869961703 | 371.005051321125 | 7301.69301498906 | 5789.30340715178 | 5902.09157977185 | 9562.90482160008 | 341.97903608217 | 155.368251698412 | 404.929702855123 | 225.984371989039 | 5512.8932852649 | 4664.30699340809 | 6370.86168381648 | 7887.33058326692 | 0 | 2.57102420902829 | 0 | 2992.90231646475 | 2931.05392780563 | 3191.22364907993 | 2949.66110997278 | 2910.15888115578 | 1991.60929763548 | 1420.97171560291 | 1398.13032596364 | 178.68472788335 | 115.817020009356 | 41.9174791846641 | 165.719641111775 | 6041.17558271726 | 5345.73313274919 | 6071.52559364339 | 7408.58018193696 | 50.0214843749748 | 57.3602459839113 | 153.909024971101 | 297.426647991607 | 6356.43356620748 | 6386.68531996103 | 7587.8449663273 | 7507.44899751038 | 315.623572272307 | 164.33633551694 | 357.317561311326 | 167.442372031394 | 4144.36840026159 | 4927.98924810256 | 5909.17095388657 | 6049.35727157247 | x | x | M-2H, M-H, M+Na-2H | |||||||||
| 14.34_1542.9880n | 1542.98797090438 | 1541.98069447238 | 1 | 14.3367 | 0.1837 | 0 | 2.22044604925031E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 85 - 40.2 - 8.15 | 4867.54492466078 | 6.34 | 0 | 0 | 0 | 2407.482168212 | 2442.23498435518 | 2518.29800991712 | 2500.05235695111 | 2394.67114397281 | 2520.72220196283 | 3439.6673106519 | 3124.26369286904 | 1429.44840155347 | 673.231781828896 | 644.62997913454 | 1391.92003249342 | 2705.46231998638 | 7029.62752933518 | 6258.659809055 | 3023.77749579649 | 1284.98709806617 | 648.584176368136 | 723.281417289631 | 1833.42542625443 | 4622.27187087298 | 3292.64451526055 | 3542.59975359823 | 5966.7224549518 | 1877.80694238553 | 635.104713447469 | 1597.52742061044 | 1830.45266363716 | 3247.7462575627 | 2969.04079375226 | 3577.22041808449 | 5455.94835554171 | 0 | 0 | 0 | 2436.88776723621 | 2453.66046495259 | 2564.31366520868 | 2500.05235695111 | 2265.67275651591 | 1546.79123186211 | 1303.33925763977 | 1245.43409147844 | 1309.74019058618 | 1077.5789966724 | 595.03730760452 | 1236.91020289509 | 4203.40976840595 | 3192.23279973464 | 3829.12142539413 | 4480.5470801412 | 637.3503327322 | 870.952302299935 | 1207.76340913868 | 1469.81712764186 | 4023.88377761698 | 3632.40322894229 | 4554.43588848747 | 4684.23197224245 | 1733.08908634696 | 671.763890862912 | 1409.68814595635 | 1356.2678392002 | 2441.52321937499 | 3136.88638622353 | 3317.98240792002 | 4184.5565504685 | x | x | M-2H, M-H, M+Na-2H | |||||||||
| 3.66_686.5404n | 686.54041474724 | 731.511494686181 | 1 | 3.66053333333333 | 0.41265 | 0 | 0.0125676263786844 | 11.3967761948378 | D20_VO_MA_M_T2 | Blank | 100 - 35.5 | 2310.88903938633 | 0.69 | 81.2774776233141 | 0 | 527.023238266775 | 2118.27424383337 | 2122.08065921039 | 1928.1748524172 | 1917.7435242119 | 1755.81009988876 | 2070.39707117293 | 2367.41696338496 | 2448.56164314406 | 1637.46911980527 | 1168.52038098287 | 1736.33900248199 | 1658.85997730291 | 1525.61092137196 | 3021.55374210994 | 2453.77368524992 | 1470.70154777179 | 1799.58285600325 | 1271.33889667687 | 1417.14797018939 | 1813.88414818079 | 2080.53956463298 | 2060.31234028822 | 1605.9669269565 | 2486.81943923513 | 1904.69949526938 | 1528.01384369196 | 1707.1113472626 | 2302.11601041101 | 1816.52188253863 | 1790.41553633535 | 2171.7373960711 | 2450.04068270155 | 3.24688720703409 | 0 | 18.0425415039078 | 2144.14738377182 | 2132.00836541116 | 1963.40746944715 | 1917.7435242119 | 1661.22647735826 | 1270.4581384135 | 897.048228480321 | 976.077068148387 | 1500.3403513705 | 1870.34102328044 | 1602.75897579682 | 1474.12263865812 | 2370.30388570113 | 1372.12148459827 | 1501.24749993041 | 2179.2435239658 | 892.588519977319 | 1707.21947807078 | 2366.40873498969 | 1454.15131173391 | 1811.19796426768 | 2272.91016774107 | 2064.66265358527 | 1952.30115266914 | 1757.90909784814 | 1616.21304833191 | 1506.38705728388 | 1705.74523398177 | 1365.58708809018 | 1891.63117375547 | 2014.35350149445 | 1879.11122312945 | M-H2O-H, M+Na-2H, M+FA-H | |||||||||||
| 13.46_657.6093n | 657.609323946785 | 702.608329591356 | 1 | 13.4617333333333 | 0.201766666666666 | 2 | 9.11304502670962E-6 | 13.2926187117288 | D6_VO_MA_M_T2 | Blank | 100 - 45 - 12.9 - 4.25 - 0.179 | 16111.8675937951 | 0.81 | 1187.40467308676 | 808.04576757426 | 1640.82348170285 | 12307.6533170869 | 12050.8805665662 | 11899.3699299707 | 11635.3443731937 | 12143.5929346514 | 15123.1554311242 | 20833.1959306205 | 19947.8917514838 | 13388.6915463959 | 7225.96772996631 | 9053.12426637756 | 9821.3203411029 | 7312.98685553575 | 24363.9544190384 | 12039.6635040588 | 11709.8911469944 | 17708.3168098324 | 7912.78957638061 | 8105.56854475842 | 12273.5099805899 | 17617.1349556513 | 14598.1786374662 | 16204.0073122388 | 16019.7278753514 | 25154.8291403979 | 6317.15687191745 | 10343.3554524754 | 14418.3197238997 | 11260.1421938276 | 11131.6848264497 | 11910.5552120831 | 11455.683464077 | 47.4346541668758 | 40.2615242188629 | 56.1732834904417 | 12457.9821224878 | 12107.258066265 | 12116.8014264528 | 11635.3443731937 | 11489.4304996775 | 9280.02466941243 | 7893.99661833362 | 7951.88463032874 | 12267.4644279702 | 11565.9290999176 | 8356.64933875212 | 8727.57849030289 | 11362.0064702797 | 11063.9452948441 | 7366.00724187438 | 17351.3820578312 | 8783.28010285804 | 10625.7021837238 | 13534.9932469018 | 9839.40493429753 | 15336.4634397296 | 16104.5235747877 | 20832.1903611084 | 12576.4390864316 | 23216.2097541097 | 6681.79245031166 | 9127.17076567984 | 10683.2062501821 | 8464.91580297456 | 11760.9804019199 | 11047.4077757314 | 8786.18200830416 | M-H, M+Cl, M+FA-H | |||||||||||
| 13.85_647.6247n | 647.624664749205 | 692.623478311737 | 1 | 13.8548 | 0.191316666666667 | 1 | 1.78089167524043E-7 | 33.4549769880584 | D20_MA_VO_M_T1 | Blank | 100 - 43.6 - 13.2 - 3.05 - 0.0709 | 13192.2000977801 | 3.16 | 648.769101091699 | 334.951171015654 | 199.260672924148 | 8119.35249672762 | 8191.66959803317 | 8129.37137764322 | 7661.20587680453 | 7975.77828530784 | 10382.441118681 | 13874.6166896732 | 13124.6001521654 | 11075.2534782837 | 5305.6278771147 | 8664.87248230001 | 9061.02853510039 | 5591.90242971303 | 15647.3370654757 | 8423.1194294362 | 5524.79596670889 | 12006.447089715 | 9212.36954922308 | 5086.17189448012 | 10344.9039255325 | 10168.9722926339 | 7503.41579406793 | 7068.8186917203 | 9536.51067846154 | 20968.0570649926 | 5416.34313056772 | 8115.83266913155 | 10542.3796974518 | 6566.44756690252 | 5210.4332273684 | 6884.74930090225 | 6325.35877716746 | 25.9171440385523 | 16.6892089843709 | 6.82165168495034 | 8218.52433152144 | 8229.99259424452 | 8277.91549338236 | 7661.20587680453 | 7546.13159243811 | 6370.97926744771 | 5257.29118056123 | 5231.89655976807 | 10147.7637007906 | 8492.22113223321 | 7998.26653970774 | 8051.95584671076 | 8688.00024431574 | 7105.63147200476 | 5153.36318955122 | 8186.48477655032 | 5955.16722236175 | 12370.8452362543 | 8493.0874206088 | 8293.28357500764 | 8852.52183049065 | 8277.6721362258 | 9087.81227856238 | 7486.72802546871 | 19352.1016676366 | 5728.98241596773 | 7161.56290066579 | 7811.34132356089 | 4936.38755369773 | 5504.98904954502 | 6385.81758838485 | 4851.36951088891 | M-H, M+Cl, M+FA-H | |||||||||||
| 14.06_1490.9374n | 1490.93741545984 | 1489.94964322904 | 1 | 14.06135 | 0.194366666666665 | 0 | 4.44089209850063E-16 | Infinity | D0_VO_M_T2 | Blank | 100 - 88.9 - 36.8 - 4.79 | 4573.61455865744 | 2.83 | 0 | 0 | 0 | 1230.53422656116 | 1257.1238293606 | 1379.29295107429 | 1319.02840505999 | 1302.46146198155 | 1431.56950193205 | 1536.52117108411 | 1369.39965250309 | 0 | 0 | 0 | 0 | 2059.89598666396 | 6031.42382372057 | 5588.5429470111 | 3558.68617030378 | 0 | 6.88009966238641 | 0 | 10.3174077266492 | 3121.14560515748 | 2998.75907865888 | 3988.43413165429 | 4541.07352425176 | 0 | 0 | 0 | 0 | 2311.88543952807 | 2119.57546955797 | 2811.14680953357 | 3071.93272647927 | 0 | 0 | 0 | 1245.56428432425 | 1263.00501770362 | 1404.49611159491 | 1319.02840505999 | 1232.2992483752 | 878.454258730077 | 582.209900436275 | 545.88766498128 | 0 | 0 | 0 | 0 | 3200.40935269322 | 2738.93728776304 | 3419.13607513467 | 5273.1594674738 | 0 | 9.23895287511186 | 0 | 8.27124047279847 | 2717.08967343839 | 3308.19258187628 | 5127.60932973712 | 3565.01277731639 | 0 | 0 | 0 | 0 | 1737.98121327949 | 2239.39915174655 | 2607.425478441 | 2356.0846576069 | x | x | M-2H, M-H, M+Na-2H | |||||||||
| 5.92_1611.1611n | 1611.16109215993 | 1656.15861255815 | 1 | 5.91743333333333 | 0.355083333333333 | 0 | 0 | Infinity | D20_MA_VO_M_T2 | Blank | 96.9 - 100 - 48.6 - 15.8 - 3.72 - 0.165 | 73277.3712923042 | 1.84 | 0 | 0 | 0 | 52883.4728570583 | 52984.2350963471 | 51285.1609201708 | 53122.6924532808 | 54527.2742336156 | 71998.1968488591 | 98119.7476900952 | 95889.2953862367 | 70319.861519278 | 41274.6914021642 | 66500.1866457989 | 75645.3852611399 | 32820.7794098858 | 77454.1993863616 | 62373.6218088737 | 31988.5505083594 | 96769.5707348455 | 42090.0014904962 | 41029.0787829667 | 80636.7013303061 | 49406.6013166443 | 43101.0812088077 | 38774.1758162205 | 56518.9747581956 | 74387.4545918643 | 47884.5327527049 | 72326.4295325478 | 74228.3130520607 | 57669.2595659673 | 50717.3044120251 | 54441.9063493197 | 61236.8995804215 | 0 | 0 | 0 | 53529.4050339921 | 53232.1106504767 | 52222.2701412327 | 53122.6924532808 | 51589.9479680611 | 44180.2668731124 | 37178.9791175977 | 38224.6216138681 | 64430.971225097 | 66064.5289624946 | 61384.1944956388 | 67221.2100172329 | 50992.8317090387 | 35172.8217073422 | 38160.9128686371 | 47399.7199785448 | 47997.4609854252 | 56520.6260615709 | 68511.9496784919 | 64644.6825895484 | 43010.5426723174 | 47548.5603830477 | 49848.8427050079 | 44370.756407647 | 68654.6006430841 | 50648.4983547051 | 63822.1973757549 | 54999.2227335469 | 43353.3980515268 | 53584.4512782774 | 50496.5493899866 | 46966.9528688551 | M+Na-2H, M+Cl, M+FA-H | |||||||||||
| 13.30_809.6814n | 809.681442741798 | 854.681086677005 | 1 | 13.2980333333333 | 0.202833333333333 | 1 | 0.18869168674226 | 3.12319202653143 | D6_MA_VO_M_T1 | Blank | 100 - 58.9 - 16.4 - 1.46 | 11298.9642739598 | 0.25 | 1284.52626680028 | 3620.54293336436 | 5948.21568719615 | 5833.57525773267 | 5966.46040562591 | 5714.72917223776 | 5640.27150487512 | 5892.78300342573 | 6932.78299261285 | 8700.48008307583 | 8027.78127621505 | 5861.96614281895 | 3223.51453346346 | 6172.94410679899 | 4978.7099181744 | 4202.65044240763 | 8243.74588212134 | 5410.45294813572 | 2117.79181413221 | 7708.50742948842 | 14889.4211184311 | 2492.88513491324 | 5989.27125803645 | 7002.04932829329 | 3414.19528736803 | 3960.50826261882 | 6829.67591909502 | 9971.63794621369 | 5517.2601329572 | 5682.37137653474 | 8454.47881136816 | 5199.80472104327 | 4943.29743382164 | 5182.09062120872 | 5200.24046670912 | 51.3144849561219 | 180.396436497251 | 203.636046037323 | 5904.82802843703 | 5994.37323057369 | 5819.15168563322 | 5640.27150487512 | 5575.34505083311 | 4254.16491235175 | 3296.7366400434 | 3200.13720453576 | 5371.05966522584 | 5159.57750433605 | 5698.04719016372 | 4424.26069837744 | 6529.55385566071 | 3743.57757758382 | 3310.1785265305 | 3138.08338819506 | 3823.40008117348 | 19994.2830483892 | 4162.71644364438 | 4801.46797960543 | 6095.5810236389 | 3766.49648287156 | 5091.70728350026 | 5361.70176203338 | 9203.14890072335 | 5835.72449604361 | 5014.23103420773 | 6264.31807653187 | 3909.00118292191 | 5222.75155526296 | 4806.54908221307 | 3988.43590351736 | M-H, M+Cl, M+FA-H | |||||||||||
| 14.61_1594.9979n | 1594.99791275432 | 1594.01212534305 | 1 | 14.6108 | 0.172283333333334 | 0 | 3.09963388289702E-10 | Infinity | D20_MA_VO_M_T2 | D0_VO_M_T1 | 100 - 97.4 - 44.4 - 8.08 | 4547.06433736568 | 6.19 | 0 | 0 | 240.923941095077 | 1096.83012988984 | 1107.20419860665 | 1189.29839964751 | 1093.21797720204 | 1200.92427028615 | 1123.50682311344 | 1303.0474514444 | 1141.02550426292 | 3520.19131819246 | 2075.99491377854 | 2835.99513814486 | 4749.93035154795 | 0 | 0 | 0 | 0 | 4790.76091876388 | 2006.2993453965 | 1382.4248214828 | 4762.42582268798 | 0 | 0 | 0 | 0 | 2774.41426959146 | 1890.44259078401 | 3646.56335427993 | 5447.56532045143 | 0 | 0 | 8.72289990532964 | 0 | 0 | 0 | 8.24798583984375 | 1110.2270918375 | 1112.38401961879 | 1211.02988058482 | 1093.21797720204 | 1136.23175719738 | 689.417700044817 | 493.743360811563 | 454.850230951675 | 3225.39522446465 | 3322.85043081201 | 2617.81636908485 | 4220.95894715022 | 0 | 0 | 0 | 0 | 2376.20523210681 | 2694.16229634335 | 2308.42667232996 | 3817.93278476071 | 0 | 0 | 0 | 0 | 2560.59714292345 | 1999.56171533448 | 3217.79586859484 | 4036.35548345169 | 0 | 0 | 8.09075903894927 | 0 | x | x | M-2H, M-H, M+Na-2H | |||||||||
| 16.98_1275.3298n | 1275.32984904918 | 1310.3172185449 | 1 | 16.9797 | 0.214366666666667 | 0 | 0.0540556455845044 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 60.3 - 64.9 - 18.4 | 1963.37078898181 | 1.21 | 0 | 0 | 0 | 1568.40671107632 | 1617.23875531824 | 1878.34955986036 | 1278.74353232216 | 1493.43941074559 | 751.158750337549 | 596.06311254156 | 449.598088895397 | 0 | 2347.56472933072 | 1316.78491095416 | 26.7390785543785 | 2577.07488932535 | 105.039819647875 | 75.1447289686289 | 1985.25418292358 | 175.00700819557 | 143.615514114508 | 3371.92228903874 | 0 | 54.1679713932852 | 1917.65574930151 | 2900.85940966645 | 1025.88216829716 | 18.2649413232686 | 1019.45947107289 | 10.1982544942156 | 544.748159292782 | 1451.50430459936 | 1476.55063202066 | 37.2842415788457 | 660.148447816927 | 0 | 0 | 0 | 1587.56362922996 | 1624.80466528948 | 1912.67174314575 | 1278.74353232216 | 1412.98941817118 | 460.933683153933 | 225.856858946958 | 179.224560542672 | 0 | 3757.52677448408 | 1215.4820183206 | 23.7613069054529 | 4003.93739867662 | 47.6997616387037 | 45.9744259119042 | 2941.69291391374 | 86.8030309967902 | 192.854323650694 | 5630.56683306072 | 0 | 47.1555173397222 | 2115.53324492771 | 3729.40188612112 | 805.378512034343 | 16.8573082544421 | 1078.30416994947 | 8.99913095979809 | 403.629344582035 | 1091.18175548653 | 1560.02288210453 | 34.5822854599194 | 506.315003657996 | M+Na-2H, M+Cl | |||||||||||
| 15.17_1474.9948n | 1474.99484046377 | 1474.01013737562 | 1 | 15.17265 | 0.233516666666667 | 0 | 5.88418203051333E-15 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 84.7 - 62.2 - 24.5 - 3.5 | 4867.13813032358 | 1.84 | 0 | 0 | 0 | 2178.00544618067 | 2279.57571709951 | 2356.2797721556 | 2273.88842872247 | 2352.62325459233 | 2516.17215796097 | 2872.6408437661 | 2504.86477597057 | 3425.5504004351 | 1114.19164452964 | 2930.26893430772 | 5590.1154440164 | 2157.06914863079 | 6562.03620288254 | 3858.85678264202 | 1417.59263985456 | 3156.78564287617 | 1381.82943941496 | 1268.52589690664 | 3207.22547700948 | 4745.2679031219 | 1950.49783436136 | 1366.59773465395 | 3973.07948127792 | 3871.1158567888 | 1859.24117452635 | 4227.50611043919 | 5506.77015020798 | 2894.60508871316 | 2456.3545143914 | 3804.24817544827 | 3904.39830147092 | 0 | 0 | 0 | 2204.60815820429 | 2290.24023066716 | 2399.33494566525 | 2273.88842872247 | 2225.88994221252 | 1543.99918751816 | 1088.48480002277 | 998.521345575811 | 3138.67994777046 | 1783.38210824123 | 2704.83749385742 | 4967.57763855086 | 3351.38488660505 | 2979.89432761154 | 2360.89380709974 | 2100.54826195369 | 1565.75765070269 | 1855.59188073866 | 2118.23382324665 | 2571.16262860407 | 4130.95704217253 | 2151.764212244 | 1756.92491411478 | 3119.10367458391 | 3572.7786983588 | 1966.55930747656 | 3730.4306479866 | 4080.22310599079 | 2176.04608690023 | 2595.21696439717 | 3528.55766384622 | 2994.56197591446 | M-2H, M-H | |||||||||||
| 7.15_923.5578n | 923.557761290042 | 922.550484858042 | 1 | 7.14761666666667 | 0.236266666666666 | 0 | 1.4432899320127E-15 | Infinity | D6_VO_MA_M_T1 | Blank | 100 - 46 - 5.49 | 1621.17090838195 | 2.92 | 0 | 0 | 0 | 988.048650917576 | 1020.19155187926 | 1007.66513364104 | 1180.89719060721 | 1154.36432724612 | 1194.01965632444 | 1100.94600934763 | 957.66262213279 | 1155.2895895616 | 541.860004970262 | 923.80481089656 | 1231.91858342309 | 660.639471300419 | 2445.82019511391 | 1559.46840193242 | 745.974242516579 | 1279.1578698258 | 785.591668320104 | 512.491971917487 | 1412.48344431903 | 2091.34745868429 | 1150.9943580796 | 1020.81653728822 | 1765.35387779451 | 1718.10400200389 | 743.921672015312 | 1367.13825362536 | 1507.43850018489 | 756.53718356953 | 806.182628312836 | 1263.73786022469 | 1317.09821975749 | 0 | 0 | 0 | 1000.11692823606 | 1024.96430259993 | 1026.07771676518 | 1180.89719060721 | 1092.17994876587 | 732.686502953604 | 417.164226924221 | 381.755765513997 | 1058.54062697907 | 867.304509758209 | 852.734662086302 | 1094.72716061315 | 1026.41917669462 | 1110.67441575164 | 954.101045949992 | 1105.36331420371 | 634.459050349546 | 1054.93303278291 | 855.779004358702 | 1132.35713285159 | 1820.60669459732 | 1269.76222407412 | 1312.38180894263 | 1385.90778088303 | 1585.69404972976 | 786.861924197612 | 1206.38842573526 | 1116.9315645183 | 568.733809085116 | 851.757684463614 | 1172.15589155484 | 1010.17671428259 | M-H, M+Cl | |||||||||||
| 14.25_996.9417n | 996.941724331749 | 1031.93218405179 | 1 | 14.2519833333333 | 0.454283333333334 | 0 | 0.753784991411344 | 38.5046017280164 | D0_MA_M_T1 | D20_VO_MA_M_T2 | 100 - 41.1 | 1203.50885676811 | 5.63 | 0 | 0 | 169.495390105242 | 307.224790133232 | 380.439383517746 | 377.216773910268 | 324.739292224479 | 225.809955655321 | 178.017593872467 | 109.973248446989 | 127.566060016461 | 0 | 2407.01771353622 | 175.95896236721 | 4.04065090918905 | 1680.25457515085 | 0 | 4.63361489763278 | 1287.90609089288 | 120.10666650857 | 1448.67046344523 | 2330.39080887832 | 0 | 12.6542042908751 | 396.742552885045 | 679.519690276579 | 63.8074310265856 | 12.5957866156173 | 1222.00192801054 | 0 | 109.735328729992 | 602.972930357446 | 652.955609770317 | 0 | 62.5124687833051 | 0 | 0 | 5.80264282226369 | 310.977311796005 | 382.219188828339 | 384.109475635836 | 324.739292224479 | 213.645813524755 | 109.236969113339 | 41.6704404950045 | 50.8520200848312 | 0 | 3852.68759249435 | 162.422088027056 | 3.59066772461074 | 2610.56989869053 | 0 | 2.83489990235307 | 1908.38243986804 | 59.5726011395724 | 1945.34945714647 | 3891.37710533668 | 0 | 11.0160217285286 | 437.68129947803 | 873.603872745183 | 50.0926280278612 | 11.6250610351613 | 1292.53767515967 | 0 | 81.3080284112999 | 453.29046463965 | 689.868447549425 | 0 | 47.9452780133885 | M+Na-2H, M+Cl | |||||||||||
| 15.18_1501.0118n | 1501.011778771 | 1500.02616267827 | 1 | 15.1840666666667 | 0.218200000000001 | 100 | 9.15822973013292E-13 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 79.1 - 37.3 - 5.85 | 2172.41268066659 | 1.06 | 0 | 0 | 0 | 938.713894656878 | 878.469156365487 | 947.766651732682 | 829.091932551466 | 887.345712397382 | 796.713028540895 | 691.020445016713 | 660.738065994318 | 1645.31908590509 | 521.846501043466 | 1391.28799938365 | 2672.45521969792 | 664.732653988693 | 2396.08824199268 | 1250.84384491071 | 440.27193455442 | 1402.41475718977 | 501.276568274258 | 598.853403311159 | 1567.58888200606 | 1717.77991626876 | 690.620999764829 | 353.729724484999 | 1476.8751945762 | 1833.8116277401 | 691.970545326809 | 1845.66713505196 | 2499.15822628122 | 818.101275204731 | 830.436542273682 | 1600.97313880283 | 1531.30651204595 | 0 | 0 | 0 | 950.179584724787 | 882.578888789176 | 965.084738540211 | 829.091932551466 | 839.545342687261 | 488.887163328731 | 261.837553600873 | 263.391888080731 | 1507.53292725117 | 835.270770318947 | 1284.25343538505 | 2374.83982618105 | 1032.77865321316 | 1088.09057737813 | 765.280924750111 | 652.382370587195 | 695.594153021932 | 673.140044322741 | 999.988677529872 | 1256.70177520147 | 1495.400299179 | 761.884235572455 | 454.761887899679 | 1159.43485853014 | 1692.48437989852 | 731.912102128834 | 1628.65128203545 | 1851.74301128484 | 615.015183086259 | 877.382718877594 | 1484.95202678753 | 1174.4683560372 | M-2H, M-H | |||||||||||
| 15.19_974.9474n | 974.947351233249 | 973.942045972943 | 1 | 15.1916833333333 | 0.252549999999999 | 0 | 0.0818823691050672 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 43.3 - 29.1 | 1447.42887253104 | 8.73 | 0 | 0 | 0 | 583.764438950413 | 587.192765384531 | 646.3367446643 | 761.694423675424 | 538.785432361251 | 475.956023588153 | 606.286851490933 | 460.50029784976 | 7.31767034393544 | 1978.73304307571 | 247.132778589484 | 0 | 1220.57841993963 | 48.6400621099953 | 6.70560821615399 | 1711.8024356539 | 341.830895598114 | 2553.02684946396 | 1969.50533851076 | 10.8868833231659 | 0 | 696.268350001801 | 678.936897485032 | 208.68081140378 | 7.30792375425459 | 1373.35947388687 | 0.604066492703809 | 106.36721647844 | 716.065183236139 | 632.807440627578 | 0 | 143.757160063472 | 0 | 0 | 0 | 590.894686161805 | 589.939822727831 | 658.146946922977 | 761.694423675424 | 509.761634193889 | 292.060982945619 | 229.730780210015 | 183.570538999989 | 6.70485688080592 | 3167.17247282595 | 228.120360443273 | 0 | 1896.38244657037 | 22.0879984039982 | 4.10256969928696 | 2536.4999294789 | 169.547254891103 | 3428.3362027508 | 3288.75652698273 | 8.72777662286394 | 0 | 768.114319974422 | 872.854622875034 | 163.826847343946 | 6.74472045899699 | 1452.63180102031 | 0.533039598036195 | 78.812436792711 | 538.30860935825 | 668.581263613057 | 0 | 110.25763563347 | M-H2O-H, M-H | |||||||||||
| 4.25_727.5444n | 727.544397128892 | 772.518947799671 | 1 | 4.2521 | 0.27505 | 2 | 3.33066907387547E-16 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 38.8 - 1.51 | 2403.34680087846 | 1.96 | 0 | 0 | 0 | 1087.06048526416 | 1065.97994957675 | 983.177054292798 | 1034.8113827001 | 982.322443130123 | 1048.84512201698 | 1192.1411561966 | 1032.1106431305 | 410.742150326661 | 399.501802341649 | 245.718776285246 | 299.443744611615 | 736.751142790348 | 1863.06972297028 | 2117.44919653218 | 1543.85696148891 | 157.875131383385 | 610.173834311246 | 431.052313621629 | 739.623832472084 | 1317.73354864978 | 1701.08328885071 | 718.663039712989 | 1837.43416029457 | 492.129112924621 | 1062.44784889914 | 835.92106269455 | 908.651560244977 | 1383.65794825741 | 1888.88061998913 | 2851.45811166432 | 1955.23549009261 | 0 | 0 | 0 | 1100.33811828957 | 1070.96691164597 | 1001.14217845314 | 1034.8113827001 | 929.405777956515 | 643.603026566721 | 451.719375506878 | 411.433191144005 | 376.344820607709 | 639.4450811081 | 226.815140159863 | 266.096481304122 | 1144.67199473131 | 846.040882399457 | 1295.48023586366 | 2287.6431253857 | 78.3056636667946 | 819.372912815125 | 719.787899110787 | 592.94027529687 | 1147.14296297592 | 1876.61328226687 | 923.927332314026 | 1442.49508930977 | 454.20196050599 | 1123.77390011994 | 737.63241734246 | 673.262364376351 | 1040.17763101926 | 1995.66267816654 | 2644.81545604316 | 1499.60977351722 | x | x | M+Cl, M+FA-H | |||||||||
| 13.18_827.6452n | 827.645219254676 | 826.637942822676 | 1 | 13.17515 | 0.141083333333333 | 0 | 0 | Infinity | D0_MA_M_T2 | Blank | 100 - 37.6 - 2.25 | 1111.50064572621 | 2.98 | 0 | 0 | 0 | 542.130560099858 | 503.558901716411 | 723.097480491493 | 559.391700812961 | 567.628742379372 | 523.43436535612 | 371.389924266954 | 476.417441427282 | 1196.72667162892 | 581.449193800044 | 1088.05784062816 | 1134.94345082426 | 181.207999703683 | 262.493504133213 | 133.588472272539 | 202.818914098169 | 754.547598124117 | 1456.04020354581 | 510.749943578506 | 927.625366816827 | 258.97044058852 | 243.765578167203 | 146.090333928736 | 195.330080962956 | 640.548993086724 | 548.885316768746 | 492.416661751301 | 862.335063651858 | 254.185608819582 | 440.658268142932 | 417.412541335107 | 706.296121430145 | 0 | 0 | 0 | 548.752280534409 | 505.91469569122 | 736.310294969154 | 559.391700812961 | 537.051185780243 | 321.195126602092 | 140.724966827459 | 189.91563506075 | 1096.50758801467 | 930.671212771515 | 1004.3513782505 | 1008.5515699625 | 281.538379019671 | 119.201247877577 | 81.7309930513196 | 300.531270777446 | 374.253689745547 | 1955.24592446994 | 852.870097762722 | 743.656999983826 | 225.44475614535 | 268.919061604034 | 187.816605341981 | 153.345729970739 | 591.183493963892 | 580.567783899138 | 434.51769402303 | 638.944309612318 | 191.086377058814 | 465.569528456179 | 387.163022438715 | 541.708951203509 | x | x | M-H, M+FA-H | |||||||||
| 7.16_1495.0725n | 1495.0724971163 | 1494.0652206843 | 1 | 7.15903333333333 | 0.217366666666667 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 92.3 - 35 - 2.03 | 6976.94534488132 | 1.98 | 0 | 0 | 0 | 3142.4556643313 | 3350.51228071338 | 3289.46641262531 | 3357.15229854377 | 3233.41009180398 | 3858.93898172496 | 4449.54567432843 | 4601.95862258589 | 3062.43499750161 | 1925.05220634448 | 2131.15404144896 | 3326.75503170414 | 2789.62329805364 | 11164.267391709 | 4824.90926246245 | 2941.21578669116 | 3599.63274542003 | 2335.58058291152 | 2041.05696107494 | 3409.0490249709 | 8651.8861754504 | 4419.72848088709 | 4818.73349491438 | 7147.30300028267 | 4883.46717007483 | 1750.57862511923 | 3435.86759995651 | 3846.23998079826 | 3358.73449384102 | 2707.46748550323 | 3699.14118870867 | 3803.95839364563 | 0 | 0 | 0 | 3180.83841641844 | 3366.18694482223 | 3349.57325936881 | 3357.15229854377 | 3059.22972934402 | 2367.96144238947 | 1685.99664800558 | 1834.49180977371 | 2805.97340409527 | 3081.25059013017 | 1967.20010542608 | 2956.27417178284 | 4334.16859461955 | 5069.81919086001 | 2951.93603680899 | 4358.20949902699 | 1785.40868734001 | 3136.33813468063 | 3408.23620602849 | 2732.96015977563 | 7531.83399846369 | 4875.78781451059 | 6195.05851430253 | 5611.05791026758 | 4507.11064324774 | 1851.62459602626 | 3031.87398491315 | 2849.85877615501 | 2524.95965019836 | 2860.52583524273 | 3431.06768777753 | 2917.52743547717 | x | x | M-H, M+Na-2H | |||||||||
| 7.17_769.5675n | 769.567470541518 | 814.50915555372 | 1 | 7.17426666666667 | 0.444 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 44.4 - 9.41 - 0.0364 | 8473.69304860066 | 2.19 | 0 | 0 | 0 | 5505.75383845431 | 5405.58650454612 | 5372.02002068664 | 5280.85037018478 | 5524.89630102975 | 6260.10862777036 | 7925.37681586405 | 7354.72825460159 | 4588.49748675007 | 2699.60246025041 | 4282.14881659616 | 4883.79985990789 | 4273.45014150468 | 12673.9359556966 | 9311.38282622724 | 5267.21693038156 | 6146.48815482954 | 3283.43543958563 | 2674.22064549314 | 5675.66698221395 | 8458.06346872921 | 6395.36869821301 | 5571.44351078286 | 8981.25384487565 | 5426.62589974745 | 3600.64901740434 | 5179.32103421706 | 6012.7233734705 | 5261.89191559822 | 5090.2353932579 | 6456.1009812025 | 6659.52194778591 | 0 | 0 | 0 | 5573.00251503322 | 5430.87539939896 | 5470.18037363845 | 5280.85037018478 | 5227.27601379605 | 3841.39161721174 | 3003.03889963882 | 2931.83617079036 | 4204.23679950186 | 4321.00056629578 | 3952.71455728785 | 4339.92020705129 | 6639.55359381497 | 5755.37663847423 | 5696.81314654121 | 7804.81152158154 | 3048.64249338431 | 4409.16655039875 | 4465.51752386098 | 4550.05827986798 | 7363.10310874173 | 7055.28878140287 | 7162.75730850397 | 7050.8183895964 | 5008.40949634167 | 3808.48377023314 | 4570.32998109558 | 4455.10747119864 | 3955.67580437018 | 5377.99620045106 | 5988.23303453456 | 5107.6631180519 | x | M-H, M+FA-H | ||||||||||
| 14.26_940.9061n | 940.906080550145 | 975.895532443787 | 1 | 14.2557833333333 | 0.22565 | 0 | 0.56558013264368 | 18.8386471961256 | D6_MA_VO_M_T2 | D20_MA_VO_M_T2 | 100 - 38 - 16.7 | 708.841228793029 | 13.81 | 0 | 156.503520239248 | 0 | 255.848794565089 | 310.673649344291 | 352.927756352963 | 293.93304403272 | 358.128120385167 | 169.918918044667 | 131.007930427472 | 155.29935286909 | 9.77332515291666 | 1331.44486512985 | 213.967516590506 | 2.88528938159825 | 1100.56567186006 | 61.7748279343871 | 0 | 924.819370880839 | 205.440608416422 | 1017.78325365395 | 1417.68245758606 | 0 | 13.6499296477356 | 375.445030184825 | 599.664509646611 | 129.971199141835 | 0 | 931.44119410373 | 0 | 75.2539416884254 | 643.334937033155 | 528.858638852557 | 0 | 91.0418665445254 | 0 | 7.7979125976558 | 0 | 258.973796761636 | 312.127070401415 | 359.376636475653 | 293.93304403272 | 338.836139459546 | 104.2673771645 | 49.6407830662853 | 61.9074212234912 | 8.95486450195097 | 2131.1189706369 | 197.506568276229 | 2.56397191727364 | 1709.92161365312 | 28.0526430607006 | 0 | 1370.37091440046 | 101.898019309272 | 1366.73187584687 | 2367.30124280879 | 0 | 11.8828428983695 | 414.18614539559 | 770.940482625154 | 102.035120803317 | 0 | 985.205348681248 | 0 | 55.7591588750804 | 483.632975619331 | 558.756035937348 | 0 | 69.8265112111655 | M+Na-2H, M+Cl | |||||||||||
| 14.27_1303.1571n | 1303.1571303023 | 1338.1265316023 | 1 | 14.2710166666667 | 0.100033333333332 | 0 | 0.989416432591139 | 3.16456668550901 | Blank | D20_MA_VO_M_T1 | 100 - 52.5 - 13.2 - 1.39 | 784.899016272697 | 0.51 | 965.615822252556 | 0 | 1389.08122656554 | 296.797096174318 | 255.787374049668 | 338.590653082447 | 301.332676482251 | 313.285702197304 | 257.842508449772 | 281.617628535043 | 182.21548357006 | 516.916769199187 | 362.129693590244 | 504.068244024994 | 622.671675706533 | 536.466333269061 | 540.331044299938 | 677.053358428104 | 314.668272173905 | 530.397101159606 | 247.909216648244 | 483.000025306067 | 331.384381115438 | 298.922526109065 | 445.426768215981 | 352.531482021288 | 318.363076793274 | 174.563218809517 | 321.491435286955 | 187.611058441049 | 520.818512849561 | 263.249383054187 | 347.024901538049 | 250.136375613117 | 650.059736896639 | 38.5745935019297 | 0 | 47.554934702749 | 300.422251333051 | 256.984021259288 | 344.777558173041 | 301.332676482251 | 296.409334643257 | 158.219946236392 | 106.708956932109 | 72.6370746974251 | 473.627916245431 | 579.62705032163 | 465.289267458923 | 553.328446143212 | 833.494448998811 | 245.370394822649 | 414.229180046063 | 466.266453157292 | 263.075613298384 | 332.905289503405 | 806.532206182936 | 265.663621885909 | 260.224741680412 | 491.389101868177 | 453.221403831646 | 249.933948554773 | 161.110070778648 | 340.048393398249 | 165.551515249492 | 385.898752297893 | 197.900152980325 | 366.642887361452 | 232.009212982635 | 498.577250545946 | x | M+Cl, M+FA-H | ||||||||||
| 15.21_900.8979n | 900.897866542775 | 899.890590110775 | 1 | 15.2069 | 0.9817 | 0 | 0.30919672202992 | 139.73452079416 | D6_MA_VO_M_T1 | Blank | 100 - 49.6 - 4.53 | 4552.21782658968 | 7.02 | 6.53731187016933 | 37.6581143583759 | 53.5374274868684 | 2193.33232268665 | 2401.9496915838 | 2426.82632253797 | 2157.9579016634 | 2231.08679696952 | 1971.17588338812 | 2399.40993012497 | 2162.92802075183 | 8.14116347116479 | 6644.02930145415 | 1463.38158885006 | 13.638931890819 | 4514.11475987447 | 291.206165342158 | 48.436763802099 | 4801.16872697531 | 1995.77098089332 | 7108.66467228605 | 6636.55554835935 | 58.8668029684748 | 29.8414543624933 | 2404.87972147009 | 2557.43422816324 | 1093.74758099433 | 23.0580737945997 | 4632.62344480995 | 10.1358431599575 | 745.0550886017 | 3488.51979769508 | 2409.86452623376 | 13.2075414923126 | 806.799738682811 | 0.261153703342245 | 1.87634555382672 | 1.83284376723312 | 2220.12224107498 | 2413.18670594684 | 2471.17055942759 | 2157.9579016634 | 2110.90052429077 | 1209.57302256813 | 909.170822253123 | 862.214127638049 | 7.45938712074437 | 10634.4748150089 | 1350.80072105307 | 12.1200454182162 | 7013.46824799147 | 132.239989759188 | 29.6341797940566 | 7114.23461244064 | 989.897330987925 | 9545.88176553287 | 11081.9782762579 | 47.1922304630327 | 25.9782521375264 | 2653.03248650107 | 3287.88772125961 | 858.656897004584 | 21.2810460668746 | 4900.02527818695 | 8.94405802837801 | 552.046100495744 | 2622.52695003142 | 2546.09880770013 | 12.2504026036038 | 618.79235495187 | M-H, M+FA-H | |||||||||||
| 15.38_1009.0235n | 1009.02349229568 | 1044.02356836023 | 1 | 15.3793166666667 | 0.50825 | 0 | 0.440288872609779 | 54.4664227366926 | D6_MA_VO_M_T1 | Blank | 100 - 48.1 - 48 - 12 - 3.46 | 5183.24011988805 | 17.11 | 0 | 213.796775047086 | 71.6950854122699 | 3037.75556686361 | 2989.88505558894 | 3157.72631566928 | 2853.36212420551 | 3101.24819773232 | 1860.18799144762 | 2091.55644599722 | 1595.05976636987 | 16.6235756616376 | 8139.26325292565 | 1262.66590393677 | 0.557398302308352 | 5748.62085567684 | 98.0396283462003 | 43.0058162070115 | 6663.18011787308 | 1627.80273202486 | 8738.67750775123 | 9286.6330468477 | 85.3933647863927 | 8.60297866058125 | 2847.15127348088 | 3097.7872088183 | 850.663572026395 | 0 | 5571.98311639507 | 11.7859774183719 | 395.42005780658 | 3673.59529296455 | 2880.543054468 | 10.0871003085725 | 413.406839611174 | 0 | 10.6525946696231 | 2.45446777343489 | 3074.85948535248 | 3003.8726013861 | 3215.42593861888 | 2853.36212420551 | 2934.18725593328 | 1141.46750187143 | 792.520723500158 | 635.843195795808 | 15.2314453124962 | 13027.7556206775 | 1165.5264945811 | 0.495324178908864 | 8931.48977943846 | 44.5208961605016 | 26.3114624023149 | 9873.30987914743 | 807.386015345816 | 11734.747118025 | 15507.1806353202 | 68.4579958108378 | 7.48925793171918 | 3140.94079429062 | 3982.57613618623 | 667.821493590856 | 0 | 5893.60617050688 | 10.4001674342713 | 292.985182316659 | 2761.65916147975 | 3043.38569934967 | 9.35609704159348 | 317.071237843793 | M+Na-2H, M+Cl | |||||||||||
| 4.15_735.4891n | 735.489131504685 | 734.481855072685 | 1 | 4.1455 | 0.224616666666666 | 0 | 0 | Infinity | D0_VO_M_T2 | Blank | 100 - 42.8 | 2436.48855616148 | 1.19 | 0 | 0 | 0 | 1066.59225532549 | 1015.18830711292 | 1006.86761505277 | 974.047115328635 | 973.918268986921 | 1001.6351838388 | 1134.99514372227 | 946.701414835828 | 321.997761813005 | 507.464339123589 | 450.117991033399 | 334.277106273107 | 1168.87068197105 | 2982.59194663891 | 2976.54486276309 | 1896.43224955986 | 371.640234673104 | 720.941600041701 | 466.19589860671 | 371.666005359395 | 1627.33757305282 | 1465.96310826358 | 1370.13027962669 | 1737.84688283262 | 419.135243658057 | 867.505325929125 | 648.885612119121 | 638.086219972178 | 991.818168001774 | 1530.96775378216 | 1216.45106726073 | 1359.27639855234 | 0 | 0 | 0 | 1079.61988418877 | 1019.93765120959 | 1025.26562550112 | 974.047115328635 | 921.454327735388 | 614.633583454786 | 430.065932092533 | 377.386268380142 | 295.032272215606 | 812.250592083305 | 415.489515161021 | 297.050659298854 | 1816.04541534519 | 1354.42849575639 | 1821.08503343848 | 2810.07911139733 | 184.332611262824 | 968.117584823284 | 778.472022601741 | 297.956520410807 | 1416.66640211648 | 1617.23171246914 | 1761.46642337933 | 1364.31315397796 | 386.83354507378 | 917.579008234913 | 572.588829264931 | 472.787871534183 | 745.608460308585 | 1617.51630853045 | 1128.29593079084 | 1042.52617268308 | x | x | M-H, M+FA-H | |||||||||
| 16.79_1117.1465n | 1117.14654932445 | 1152.17792325734 | 1 | 16.7884 | 0.855966666666667 | 0 | 0.00638657718359203 | Infinity | D6_MA_VO_M_T2 | Blank | 100 - 69.2 - 15.2 - 3.81 | 2336.19490582325 | 1.02 | 0 | 0 | 0 | 2110.86247170321 | 2059.88889075463 | 2220.26002778195 | 1852.56183807889 | 1687.34391359396 | 1101.77983412371 | 764.719756273204 | 658.444354485517 | 5.81190985978318 | 3805.09914037067 | 1502.29123091434 | 72.7373485952565 | 3591.04911984016 | 477.871397037741 | 78.7994861956981 | 2630.57165005397 | 377.48087461158 | 763.056216848581 | 4658.06850462825 | 14.321307018262 | 84.3819366660755 | 2205.95043673741 | 3021.81197965849 | 1524.74551084613 | 23.8917438400704 | 1454.29512177002 | 8.60304897051183 | 852.513659674893 | 2040.06996176915 | 2010.74123194531 | 59.1688772716072 | 715.091876289933 | 0 | 0 | 0 | 2136.64508237329 | 2069.525645901 | 2260.82977754696 | 1852.56183807889 | 1596.44849169577 | 676.085363765197 | 289.763279244203 | 262.477539360552 | 5.32519531250625 | 6090.46546017303 | 1386.71696665628 | 64.637024045011 | 5579.32403554513 | 217.006767615063 | 48.210449218769 | 3897.90589490676 | 187.229553818713 | 1024.67126560197 | 7778.22374897063 | 11.4810791015713 | 73.4580560295769 | 2433.57624916809 | 3884.90088795361 | 1197.0159036828 | 22.0504672596539 | 1538.23917344299 | 7.59149169920249 | 631.667172861191 | 1533.64141955682 | 2124.4123051392 | 54.880960896644 | 548.455043947854 | M-H2O-H, M+Cl | |||||||||||
| 4.00_851.5573n | 851.557270657795 | 896.556370283704 | 1 | 3.99703333333333 | 0.435216666666667 | 3 | 0 | Infinity | D0_MA_M_T2 | Blank | 100 - 53.3 - 14.5 - 2.73 - 0.346 | 203844.199308671 | 9.74 | 0 | 0 | 0 | 127553.723552395 | 128234.353077075 | 126567.601501361 | 127889.766407611 | 132411.485282724 | 178307.619359635 | 259313.173395543 | 246928.830682593 | 220555.404658564 | 120552.190752348 | 184274.92731519 | 223413.471302152 | 49311.7438812283 | 122930.108297288 | 105010.735843303 | 39836.4361138155 | 275485.085395557 | 120703.29425475 | 108828.256983002 | 250022.408891155 | 103797.819277134 | 73941.3073110909 | 47675.1393144017 | 95846.6946149763 | 202849.369962069 | 106800.431874823 | 113120.472623624 | 147895.087156965 | 142458.731981898 | 124099.943243107 | 136590.81731276 | 160658.485728125 | 0 | 0 | 0 | 129111.697147528 | 128834.270416065 | 128880.310759293 | 127889.766407611 | 125278.619408745 | 109414.937506769 | 98257.479106462 | 98433.9396840723 | 202085.138168251 | 192956.589786473 | 170098.289185779 | 198533.245924204 | 76614.4345815657 | 55823.9426120274 | 64246.7989604162 | 59028.4925928295 | 136639.901757655 | 162086.612434855 | 181725.651347376 | 200437.50545843 | 90360.4056207098 | 81571.1025542543 | 61292.0963655599 | 75245.3553418812 | 187216.27943659 | 112965.109757455 | 99819.6257949477 | 109582.375043851 | 107094.666378754 | 131115.551968699 | 126692.201195093 | 123220.469665759 | x | x | M+Cl, M+FA-H | |||||||||
| 15.39_874.8798n | 874.879840588323 | 873.872564156323 | 1 | 15.3869333333333 | 0.4207 | 0 | 5.9549315962093E-4 | 348.787623512891 | D6_MA_VO_M_T1 | Blank | 100 - 56.2 - 17.9 - 2.13 | 11096.2994236451 | 2.22 | 5.51722889332567 | 86.5963570408085 | 3.32815576432084 | 4080.41320565803 | 3895.07792818904 | 4026.20711862979 | 3860.07290516399 | 4009.39064382924 | 4520.31206508197 | 6703.9949033485 | 5963.72004966007 | 233.503834481055 | 5356.4097918868 | 1991.96876701724 | 216.498058902925 | 3651.24425852638 | 1297.68493018037 | 1811.51181983334 | 10884.0209122701 | 3805.90092818429 | 18386.6979191059 | 8119.3608301778 | 1540.71483505252 | 366.546923730753 | 4578.51200369807 | 2776.26439460713 | 2690.44922407588 | 150.015547005789 | 5100.02994746316 | 130.133168534589 | 1497.21882518639 | 3300.84531072807 | 2455.71046067809 | 393.178547279923 | 1389.59566102686 | 0.220403246210971 | 4.31473248938638 | 0.113938787038519 | 4130.25240952129 | 3913.3002276725 | 4099.7760759866 | 3860.07290516399 | 3793.40903439592 | 2773.7999300775 | 2540.23978234542 | 2377.33462730204 | 213.949210299201 | 8573.50298232734 | 1838.72263208977 | 192.387961745407 | 5672.84773095756 | 589.293299048365 | 1108.30416308023 | 16127.6311456316 | 1887.71718142117 | 24690.6068137704 | 13558.0241409075 | 1235.15743860848 | 319.094648982 | 5050.9557618211 | 3569.22008530198 | 2112.16264377307 | 138.454226273024 | 5394.41117107785 | 114.831947616181 | 1109.35933017273 | 2481.44092259093 | 2594.53650108741 | 364.685244568993 | 1065.78018099206 | x | M-H, M+Na-2H | ||||||||||
| 15.38_1451.0164n | 1451.01641432245 | 1450.00913789045 | 1 | 15.3831166666667 | 0.281716666666666 | 0 | 6.30462419008548E-4 | 99.0208659046161 | D20_MA_VO_M_T2 | Blank | 100 - 84.4 - 56.5 - 20.2 - 1.32 | 9770.22548484104 | 0.38 | 198.268642850303 | 0 | 97.7364080725725 | 3930.59315031342 | 3840.98122376857 | 4163.46648375183 | 3844.6375730138 | 3985.5545896236 | 4324.85649213555 | 5050.50993960939 | 4654.30523127855 | 4549.00145288767 | 1775.84649582744 | 6482.65967936537 | 8231.19718695028 | 1516.0075519288 | 3685.61758201554 | 3554.15813553562 | 946.452952577892 | 6187.64065704688 | 3996.79918453187 | 2191.29602746594 | 8075.21091016403 | 4111.02720982889 | 1030.77974845006 | 540.051312845746 | 2979.07379388823 | 5823.39071131837 | 4865.45003602566 | 9647.73778246109 | 9892.713187221 | 3323.92605848118 | 3341.94275748456 | 4321.75702640263 | 5686.07586335477 | 7.92047119141898 | 0 | 3.3459875600393 | 3978.60241394642 | 3858.95044324511 | 4239.54351585044 | 3844.6375730138 | 3770.85700307735 | 2653.86249063387 | 1913.71062399207 | 1855.35888677106 | 4168.04833487305 | 2842.43099756731 | 5983.93572527422 | 7314.53786489584 | 2355.38336855743 | 1673.6803313534 | 2174.47560359942 | 1402.4269375174 | 3069.05402982733 | 5367.10820034362 | 3659.11123568177 | 6473.72024796628 | 3578.82360905963 | 1137.14300746555 | 694.300584860366 | 2338.75009577826 | 5374.59664223992 | 5146.29096241155 | 8513.3446924083 | 7329.97307431008 | 2498.79208770383 | 3530.8692159271 | 4008.56310458697 | 4361.05777583 | x | x | M-H, M+Na-2H | |||||||||
| 13.25_312.1898n | 312.189807345827 | 311.162048747221 | 1 | 13.2513833333333 | 0.16095 | 0 | 4.14733458575789E-7 | 14.7497599116994 | Blank | D0_MA_M_T1 | 100 - 5.19 - 1.92 - 0.0244 | 52955.0872042803 | 2.74 | 41571.9757841806 | 57122.0479395834 | 60171.237889077 | 4102.71358255723 | 4049.07667214485 | 4289.37302334268 | 4139.36347655929 | 4184.25337199468 | 5839.69405703723 | 8117.31146655675 | 7193.40014491834 | 4336.61769459335 | 2843.84999048084 | 4313.7790860077 | 4630.4044487287 | 3029.5291508011 | 7531.4198703874 | 6610.83444543583 | 3106.12398460534 | 7521.80918157119 | 3704.6145837356 | 2722.86464287478 | 5774.95356322545 | 5048.84609793608 | 4164.90495853829 | 3735.00503812592 | 5592.52342712782 | 4296.52992935523 | 4132.96984520455 | 4592.37181200146 | 5666.16300243825 | 4651.59814271954 | 4062.05333480332 | 4352.55612093764 | 5253.89743090834 | 1660.72472094125 | 2846.15155333912 | 2059.95101947599 | 4152.82516889121 | 4068.01942222883 | 4367.75068543104 | 4139.36347655929 | 3958.85209338615 | 3583.41254627298 | 3075.76569050446 | 2867.52548914979 | 3973.45051394891 | 4551.88406451078 | 3981.91144691237 | 4114.74393101705 | 4706.90437344994 | 3420.10233664509 | 4044.58599557179 | 4602.56575397063 | 3730.79822500727 | 4974.74764016915 | 4546.74516044529 | 4629.65416373975 | 4395.23474099173 | 4594.66977060994 | 4801.79590484199 | 4390.463481526 | 3965.40717879602 | 4371.53093851717 | 4052.39498344811 | 4198.32471198849 | 3496.88182880835 | 4291.68903063634 | 4037.13021589228 | 4029.5892624545 | M-H2O-H, M-H | |||||||||||
| 16.82_1275.2788n | 1275.27879608794 | 1296.25346390794 | 1 | 16.81885 | 1.38623333333333 | 0 | 0.166568637674088 | 1277.53355785507 | D6_MA_VO_M_T2 | Blank | 100 - 62.5 - 16 | 3116.35666715386 | 2.01 | 0 | 7.31806217063942 | 0 | 1456.47038765446 | 1420.87594235377 | 1777.44615672006 | 1252.31877544501 | 1209.88772455909 | 547.654359057532 | 423.984347116015 | 300.247258082713 | 17.8823180403459 | 5382.60849637299 | 759.802376253703 | 7.11161278316271 | 4789.47663771267 | 150.241829055649 | 17.4890177348273 | 2734.28474746581 | 217.775785131802 | 864.198533113287 | 6232.71333430773 | 0 | 11.3901966113011 | 1779.65952009882 | 2717.2442868485 | 937.632795889679 | 41.516926347588 | 1517.09849287792 | 12.4375005117483 | 388.444887065987 | 1444.17108800199 | 1485.78825345059 | 12.1109906528382 | 332.629171809246 | 0 | 0.364628278671438 | 0 | 1474.26008710707 | 1427.52321037453 | 1809.92458037161 | 1252.31877544501 | 1144.71235972253 | 336.057245824879 | 160.653747677806 | 119.688415527354 | 16.3847751432174 | 8615.43679243008 | 701.349262230263 | 6.31963489653612 | 7441.29117444699 | 68.2265017032737 | 10.6999860290595 | 4051.58499875187 | 108.016235589957 | 1160.49038734492 | 10407.6268584864 | 0 | 9.9156494140675 | 1963.29757350478 | 3493.34267446964 | 736.097506443341 | 38.3173213004889 | 1604.6676474276 | 10.9750836264444 | 287.816952656135 | 1085.66894223843 | 1569.78272405942 | 11.2333178367909 | 255.117073891931 | M+Na-2H, M+Cl | |||||||||||
| 15.22_936.9224n | 936.922393989116 | 957.929948731228 | 1 | 15.2183333333333 | 1.36343333333333 | 0 | 0.352827149578005 | 68.0686549470098 | D6_MA_VO_M_T1 | Blank | 100 - 47.4 - 54.4 - 20.1 | 9908.11327643144 | 11.11 | 84.2920879167147 | 32.700970294049 | 319.68869864831 | 4040.25217257983 | 4024.4573310412 | 4564.35304168595 | 3867.19048404701 | 3844.79740968041 | 3164.6067031232 | 3732.61952256631 | 3392.53862079961 | 59.8097233459985 | 14001.3673426319 | 2293.79537514221 | 56.0170115816975 | 9389.89344927897 | 475.214589046366 | 121.522016808093 | 9933.11731911864 | 3272.52067879253 | 16543.7058740704 | 13945.0194363398 | 241.683299715044 | 90.050747555832 | 4368.46171444904 | 5315.17866704374 | 1544.82745066673 | 34.9380246366055 | 9468.5739104414 | 22.4151655412927 | 1062.17254871136 | 6528.84253540632 | 4603.12367711562 | 58.6851971980266 | 1125.69946447778 | 3.36731539799247 | 1.62935190097778 | 10.9444825102241 | 4089.60083937881 | 4043.28490473719 | 4647.75528215476 | 3867.19048404701 | 3637.68226270268 | 1941.8981976163 | 1414.34305071535 | 1352.37728641306 | 54.8009976218538 | 22410.6760559168 | 2117.3291165465 | 49.778731208412 | 14588.8447816893 | 215.800281271759 | 74.3485941740668 | 14718.6093761022 | 1623.16193418622 | 22215.7419878467 | 23285.935200786 | 193.752223733411 | 78.3929964257508 | 4819.23097483843 | 6833.29818738887 | 1212.7814207288 | 32.2454389902827 | 10015.1139116483 | 19.7795623070653 | 787.01323236408 | 4908.11762425066 | 4863.34712114165 | 54.4323326916029 | 863.379335904964 | M-H2O-H, M+Na-2H | |||||||||||
| 2.76_432.2624n | 432.262391958874 | 467.187867268088 | 1 | 2.76283333333333 | 0.2478 | 0 | 0.101536059363269 | 5.52557373056833 | D20_MA_VO_M_T2 | Blank | 100 - 8.92 - 0.0416 | 1343.01027908107 | 4.26 | 0 | 621.796642020934 | 107.36399064857 | 992.424366955183 | 1063.76470713078 | 962.29706737097 | 1077.44132224422 | 991.216340056535 | 1379.59561544422 | 1546.62360312305 | 1597.75447888301 | 1287.94975553243 | 553.00250074026 | 1064.92957197156 | 1303.27615183798 | 682.473764325837 | 1658.69527742837 | 1472.94142927518 | 708.829263851978 | 1422.09599308086 | 664.554384598398 | 623.130397206327 | 1134.30655404849 | 1213.86520668926 | 1045.23045905075 | 754.427578386366 | 1319.75428584556 | 1321.78639870949 | 749.277292944192 | 1123.95185101765 | 1562.06870714448 | 875.761931802206 | 792.328133399304 | 1159.58702740309 | 1231.54760124695 | 0 | 30.9815131351861 | 3.67558603994883 | 1004.54609038137 | 1068.74130565605 | 979.88066151505 | 1077.44132224422 | 937.820570115409 | 846.561513134159 | 586.037856771825 | 636.917396682966 | 1180.09125509058 | 885.139258111359 | 983.002413485552 | 1158.1380623645 | 1060.34257674025 | 753.232151671707 | 901.162829944552 | 1050.322946343 | 705.355995971671 | 892.397922056253 | 1040.52734506587 | 909.348794481874 | 1056.72116436718 | 1153.08484619219 | 969.906926340639 | 1036.08560108763 | 1219.91964689144 | 792.526679437173 | 991.796184881668 | 1157.40963544581 | 658.362113776833 | 837.119968278065 | 1075.55277777263 | 944.56183346699 | M-H, M+Cl | |||||||||||
| 13.25_660.5593n | 660.55925836971 | 681.53392618971 | 1 | 13.2475666666667 | 0.1067 | 0 | 2.2541334926407E-6 | 8.1221854998839 | Blank | D20_VO_MA_M_T2 | 100 - 32.3 | 1508.95910449146 | 16.43 | 1033.28755226623 | 1887.96883836284 | 1605.6209228453 | 232.321433153648 | 233.986384537273 | 286.405597435098 | 190.448639040395 | 254.1519009171 | 214.941451101564 | 183.139857475527 | 133.462558464625 | 236.530847574988 | 172.498716150477 | 187.706506283625 | 264.168025007388 | 163.656653396253 | 247.747478976174 | 428.748963521525 | 242.565620008376 | 192.845859822925 | 255.833395133784 | 155.752056717496 | 318.121296546967 | 316.721103096509 | 250.802417252136 | 238.290057491107 | 330.357206566181 | 269.468884519806 | 203.759917432336 | 229.745309600791 | 331.240700109463 | 154.114182464536 | 263.863379475452 | 163.512130609116 | 208.052666701417 | 41.277955870993 | 94.0695517017462 | 54.9681305045509 | 235.159066178826 | 235.081040421622 | 291.638949958608 | 190.448639040395 | 240.461008340919 | 131.894562466555 | 69.3943176269477 | 53.2025579745919 | 216.722728183614 | 276.102522925678 | 173.265869931792 | 234.749208131558 | 254.269287163422 | 112.504912264406 | 262.313641006745 | 359.426803718866 | 95.6510560371705 | 343.546285302073 | 260.08083507302 | 255.030896613888 | 275.71915810705 | 276.682012294638 | 306.350382541783 | 259.350053725687 | 248.701595637982 | 215.521239313827 | 202.731568394332 | 245.431699774168 | 115.856758835752 | 278.780084342803 | 151.662550649613 | 159.570452752465 | M+Na-2H, M+Cl | |||||||||||
| 2.78_642.5006n | 642.500561674416 | 677.430186867404 | 1 | 2.77806666666667 | 0.16775 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 26.1 - 7.48 | 1054.3206049249 | 3.72 | 0 | 0 | 0 | 808.319033332431 | 916.57915998252 | 698.935434990999 | 817.133006358138 | 704.205562230955 | 947.444898242829 | 1010.52209845962 | 1133.52857744159 | 951.136864884059 | 842.450889112101 | 897.201176920333 | 945.663540150663 | 893.816796819379 | 1214.82441303042 | 861.451534311883 | 758.708971371198 | 861.785338103169 | 771.134868746889 | 859.563168556128 | 586.465077175537 | 871.898271106066 | 1057.70305645672 | 784.413282064821 | 1156.37912727885 | 1045.18400410679 | 730.323795034541 | 679.919108077085 | 1322.59484437889 | 770.898066206645 | 602.98337816191 | 533.999140701601 | 741.161467177244 | 0 | 0 | 0 | 818.192047426431 | 920.867182009659 | 711.706747965457 | 817.133006358138 | 666.270757615042 | 581.380788463459 | 382.901310704182 | 451.861709763175 | 871.484537205372 | 1348.43215715254 | 828.177698795573 | 840.350633666001 | 1388.70100949505 | 551.665407734748 | 527.046145278559 | 1124.23327148902 | 427.443336054026 | 1035.51969627093 | 1435.33197177342 | 470.156245709657 | 759.024437948817 | 1166.84445579498 | 1008.45713648955 | 907.826385579246 | 964.634302843036 | 772.479157773956 | 599.973367905782 | 979.972269896762 | 579.529735130012 | 637.071189474871 | 495.300693727191 | 568.449675532797 | M-H, M+Cl | |||||||||||
| 16.82_1175.2016n | 1175.20155706954 | 1196.17622488954 | 1 | 16.82265 | 1.65368333333333 | 0 | 0.223293232017677 | 68.2505066874428 | D6_MA_VO_M_T2 | Blank | 100 - 59.5 - 9.21 | 5578.00541524922 | 1.41 | 245.185230966593 | 0 | 0 | 2929.85037557138 | 3052.0352963952 | 3501.56572458834 | 2446.61518796949 | 2217.48128510205 | 1136.08036290191 | 792.436056041289 | 608.183303072251 | 16.0935975287042 | 9554.17398137797 | 1193.70471801878 | 19.4952617885654 | 7257.74259506495 | 264.143033619277 | 64.7259542358548 | 5485.18240568372 | 377.847127595093 | 2659.06348251468 | 11123.7389302029 | 32.2719002955285 | 49.4891832963043 | 2493.45057007079 | 4471.51906162052 | 1072.5896120121 | 15.2212192948986 | 2981.94417564835 | 22.8378271737114 | 502.755258861899 | 2600.29587002008 | 2548.87179044235 | 36.5586110358153 | 401.698481372281 | 9.79470344132302 | 0 | 0 | 2965.6363126315 | 3066.31359896843 | 3565.548160634 | 2446.61518796949 | 2098.02792687623 | 697.133203595 | 300.265382587858 | 242.441833972909 | 14.7458498477839 | 15292.4705736834 | 1101.87063040154 | 17.3241907950637 | 11276.1748316737 | 119.950317740464 | 39.600097417823 | 8127.78653389455 | 187.411214367101 | 3570.72766564587 | 18574.8514085365 | 25.8716777441133 | 43.0824337894045 | 2750.742711506 | 5748.67281284466 | 842.046633074501 | 14.0481582240664 | 3154.06637575714 | 20.152526855457 | 372.514844075929 | 1954.79641585773 | 2692.96442019009 | 33.9092407226557 | 308.091261500354 | M+Na-2H, M+Cl | |||||||||||
| 17.00_1213.2455n | 1213.24554656934 | 1212.24176468129 | 1 | 17.00265 | 0.580033333333333 | 0 | 5.33006649974466E-4 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 67.3 - 12.2 - 0.491 | 3420.4019310202 | 0.99 | 0 | 0 | 0 | 3101.6592579311 | 3154.36652887563 | 3226.91878415453 | 2513.71437482976 | 2630.56987485878 | 2088.37450989849 | 1992.20240351473 | 1734.36793721781 | 47.7624871527454 | 3935.55671697413 | 2727.05657444239 | 62.5482687629445 | 3934.79473705003 | 645.310074870163 | 347.497379536753 | 3271.30049211187 | 768.444725930983 | 431.360594011545 | 4685.96843847086 | 16.0540461463303 | 106.232663028115 | 2910.29225408677 | 4288.48374860719 | 2552.32011343321 | 43.9136740321102 | 1751.93719325611 | 70.1191085326638 | 1087.88232668559 | 2443.36584342993 | 2477.92652083615 | 74.1794511864069 | 1486.64462654209 | 0 | 0 | 0 | 3139.54371234273 | 3169.12356650863 | 3285.8827279931 | 2513.71437482976 | 2488.86387368047 | 1281.48963746976 | 754.874052389954 | 691.376006803898 | 43.7626492557007 | 6299.27667244642 | 2517.25866662297 | 55.5826412439222 | 6113.39308339422 | 293.042551458566 | 212.602969620968 | 4847.31958240052 | 381.14662979534 | 579.253266059607 | 7824.81214237741 | 12.8701782226481 | 92.480040411632 | 3210.59711484646 | 5513.35901607669 | 2003.72307728497 | 40.529357671755 | 1853.06158271256 | 61.8744159432033 | 806.062807210853 | 1836.82282021589 | 2618.00847789959 | 68.8037317525584 | 1140.21396553301 | M-H2O-H, M-H | |||||||||||
| 4.40_877.5755n | 877.57548020061 | 922.573015474386 | 1 | 4.40153333333333 | 0.447433333333333 | 4 | 0 | 680316.276133052 | D6_MA_VO_M_T1 | Blank | 100 - 55.6 - 16 - 3.09 - 0.442 - 0.00217 | 419696.991277232 | 7.65 | 0 | 0 | 1.85074357031177 | 223590.751618308 | 225296.420702921 | 218589.203180919 | 221799.387326659 | 227965.531243601 | 310512.946182939 | 446964.977310697 | 431704.126942867 | 332573.830406593 | 192419.255916324 | 352203.521329625 | 392487.139764319 | 84626.6868516703 | 168639.832180124 | 137154.895886748 | 71417.5027986692 | 641555.143240949 | 197838.839313515 | 186664.368616673 | 392509.76655318 | 144854.142178726 | 73700.7381018121 | 92130.8475363167 | 153158.890774834 | 390339.217631756 | 242196.756719873 | 281267.717031007 | 450915.969735119 | 168228.232476509 | 109877.609751232 | 141790.411172108 | 189935.707027773 | 0 | 0 | 0.0633598582678395 | 226321.745880456 | 226350.422426709 | 222583.379161847 | 221799.387326659 | 215685.270548852 | 190540.116702048 | 169361.437926011 | 172091.439769876 | 304722.654939715 | 307987.463348039 | 325107.801132953 | 348778.188650641 | 131482.386412217 | 76581.2415210641 | 83912.9728185285 | 105824.414686725 | 318209.719479702 | 265668.202929839 | 311699.41438564 | 314666.508593796 | 126101.676646621 | 81305.7096858416 | 118445.228826648 | 120238.837723257 | 360256.756315641 | 256176.709452145 | 248195.906638841 | 334104.694473946 | 126467.126176923 | 116089.202581762 | 131514.985071208 | 145675.262157429 | x | x | M+Cl, M+FA-H | |||||||||
| 15.13_1025.0149n | 1025.01489534992 | 1060.00099841501 | 1 | 15.1268666666667 | 0.344033333333332 | 0 | 0.673906878089323 | 23.6289044660656 | D6_MA_VO_M_T1 | D20_MA_VO_M_T2 | 100 - 44.8 | 1652.91369457075 | 12.72 | 189.773750739509 | 0 | 23.6870691488414 | 660.17899739727 | 877.022232188686 | 862.721703126829 | 720.678916864772 | 731.012124685528 | 445.568741919313 | 357.814206821045 | 269.034007316992 | 6.62046663906969 | 2708.63024431782 | 380.596340080291 | 0.411698635225456 | 1931.69577976299 | 10.5644695394676 | 10.449481628985 | 1973.56533765617 | 385.614094950064 | 2920.21329419143 | 2754.00190954151 | 8.53407942900069 | 2.50943577485895 | 839.947884031804 | 989.821235383871 | 177.729566329492 | 0 | 1660.63925520336 | 8.31939119693526 | 131.586688405237 | 1014.51699606491 | 847.077317094821 | 0.0801887519630917 | 192.999156905843 | 7.58111572264443 | 0 | 0.810922360139974 | 668.242591445025 | 881.12519548319 | 878.48580425676 | 720.678916864772 | 691.633279062729 | 273.414429664624 | 135.580932855602 | 107.245788902008 | 6.0660400390816 | 4335.45049388402 | 351.316303640672 | 0.365850214481167 | 3001.22786788071 | 4.79744425077319 | 6.39311533308124 | 2924.37271703883 | 191.263610422641 | 3921.41310943623 | 4598.73937796795 | 6.84158511918694 | 2.18457031250296 | 926.619740442568 | 1272.53363946645 | 139.528279268709 | 0 | 1756.49379350318 | 7.34118676185972 | 97.4987209973855 | 762.67251377018 | 894.964228738451 | 0.0743775437995156 | 148.024840712602 | M+Na-2H, M+Cl | |||||||||||
| 17.16_1403.4347n | 1403.43469987843 | 1438.42505647058 | 1 | 17.15885 | 0.206716666666665 | 0 | 0.0147599541095543 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 60.9 | 1285.87738827583 | 23.86 | 0 | 0 | 0 | 1160.96445073331 | 1236.17338514062 | 1235.69719419379 | 811.044894513547 | 957.341147582634 | 512.419337938142 | 372.634282308804 | 278.701898671535 | 5.20412669499681 | 1479.27557633476 | 1050.05531435675 | 14.1827054758649 | 1332.1016160336 | 119.85944716122 | 36.883163568335 | 1193.63306503625 | 103.344246670337 | 62.5141331570059 | 1566.85417088529 | 4.10881256930633 | 32.2153167257532 | 1009.77095810002 | 1847.77747778831 | 723.977298763352 | 12.6225699804081 | 544.637548606104 | 9.13225334483542 | 209.752657589511 | 480.020216991349 | 674.880963496053 | 18.1148944552311 | 345.344294318702 | 0 | 0 | 0 | 1175.14476557442 | 1241.95656125489 | 1258.27649811606 | 811.044894513547 | 905.770198229055 | 314.435973286592 | 141.19647192956 | 111.099727835889 | 4.76831054687409 | 2367.7377307091 | 969.272462210838 | 12.6032621833369 | 2069.65327292867 | 54.429520908385 | 22.5655517578215 | 1768.69136427626 | 51.2584835290743 | 83.947204053395 | 2616.39396480416 | 3.29394531250409 | 28.0448000431157 | 1113.96637921128 | 2375.53905157652 | 568.3652349592 | 11.649780273421 | 576.074828315593 | 8.05847156048534 | 155.415537001735 | 360.859627757164 | 713.033283734946 | 16.8021240234252 | 264.869209674688 | M+Na-2H, M+Cl | |||||||||||
| 15.15_846.8490n | 846.84900744582 | 845.84173101382 | 1 | 15.1497 | 0.2059 | 0 | 8.71205064627567E-5 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 52.7 - 15.3 - 0.637 | 3593.25427531864 | 16.29 | 0 | 0 | 0 | 1272.67315078445 | 1359.3634706422 | 1436.90187703781 | 1280.26555633056 | 1268.93963717042 | 1503.91806541931 | 2087.3225862591 | 1899.52036831771 | 34.2786642007038 | 2227.96306512162 | 755.720251286719 | 14.0008247640083 | 1510.58096385287 | 431.935863343614 | 472.878329164837 | 3620.19600678533 | 1317.21227901172 | 5869.29627162555 | 2706.26775645551 | 314.808315309081 | 96.1234512541069 | 1457.9942244388 | 1105.86310850053 | 877.371785968063 | 24.0881237883117 | 1919.18783282573 | 33.8771469116144 | 558.003369926556 | 1496.78059481033 | 1020.2357457031 | 79.1608284325186 | 620.546712615106 | 0 | 0 | 0 | 1288.2179040769 | 1365.72296555491 | 1463.15769791413 | 1280.26555633056 | 1200.58320861148 | 922.849521148429 | 790.916453345617 | 757.211188530657 | 31.4080201387317 | 3566.09160342208 | 697.581183288418 | 12.4416364412299 | 2346.95221312829 | 196.146925935006 | 289.312504122676 | 5364.30298535185 | 653.333940527879 | 7881.59391935459 | 4519.03103473479 | 252.374951901182 | 83.6795426481278 | 1608.44054196711 | 1421.71935285477 | 688.789029890994 | 22.2317126994232 | 2029.96617499109 | 29.8938295543473 | 413.450749003765 | 1125.21862446293 | 1077.91163670407 | 73.4241129810269 | 475.94160390241 | M-H, M+Na-2H | |||||||||||
| 2.06_532.4586n | 532.458637639361 | 553.433305459361 | 1 | 2.05961666666667 | 0.21065 | 0 | 4.5508672330552E-7 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 9.48 | 596.420702749742 | 1.74 | 0 | 0 | 0 | 438.603163965601 | 423.542143138903 | 365.706340609849 | 397.59779269128 | 350.21787573842 | 499.606720032484 | 603.72724365156 | 464.109607035338 | 129.841771483405 | 788.788650001022 | 425.398065430115 | 155.949783229242 | 691.870233234516 | 244.083297619837 | 99.7551220511056 | 481.862487452236 | 564.28346581659 | 628.557939682893 | 980.024942485735 | 102.323054982129 | 114.859841270797 | 459.226160045897 | 432.226802952233 | 221.938120664124 | 95.1139453575214 | 765.23564073845 | 40.5533820198223 | 425.084869225592 | 575.242985916211 | 561.26383349026 | 36.6751496273053 | 394.680496331428 | 0 | 0 | 0 | 443.960374473997 | 425.523595607488 | 372.388717691979 | 397.59779269128 | 331.352011278264 | 306.573764187058 | 228.760908103232 | 185.009328151066 | 118.968258206388 | 1262.54004192378 | 392.671342796604 | 138.582586292679 | 1074.94163765027 | 110.84096636385 | 61.0313528442712 | 714.01006330163 | 279.883163990306 | 844.06003822238 | 1636.48372166534 | 82.0301587464199 | 99.9903651063115 | 506.612414074554 | 555.679275179871 | 174.234623534654 | 87.7837529182365 | 809.406166518639 | 35.7850645780704 | 314.965226096431 | 432.444223013599 | 592.993158618801 | 34.0173338651562 | 302.708667428699 | M+Na-2H, M+Cl | |||||||||||
| 14.26_764.5681n | 764.568068154456 | 785.542735974456 | 1 | 14.2634 | 0.244683333333334 | 2 | 5.85335400693499E-5 | 90.1706708861543 | D0_VO_M_T1 | Blank | 100 - 42.1 - 10.9 - 0.668 | 12210.0484658222 | 12.09 | 0 | 0 | 406.231261645089 | 5750.58571075611 | 5686.41426683113 | 6289.8186026699 | 7752.12942755878 | 9178.74637072833 | 10640.7186843241 | 15675.6125086594 | 15851.8406859543 | 12819.0225410243 | 3682.64158824065 | 8880.30904678786 | 14543.3584569769 | 3922.00433467359 | 20498.0925969708 | 18067.673133943 | 4165.18547771278 | 16247.8075599096 | 4174.74607800666 | 3489.1276124258 | 10533.5118028438 | 10864.3466020271 | 6454.54121751878 | 4653.32530588305 | 10394.0049616775 | 11037.0360098383 | 6714.72868523959 | 10576.5869003045 | 13215.8874981783 | 7875.04454024593 | 6634.88824474936 | 9401.80512174034 | 12835.9561856369 | 0 | 0 | 13.9072508880647 | 5820.82482604328 | 5713.01695506166 | 6404.74945022136 | 7752.12942755878 | 8684.29706662242 | 6529.46617791025 | 5939.71431679326 | 6319.06418399745 | 11745.5019766809 | 5894.45913705983 | 8197.12913909309 | 12923.7513936566 | 6093.52095215299 | 9308.41403004412 | 11054.0141843314 | 6171.85280873212 | 8058.87122918325 | 5606.0644718747 | 5826.2808353278 | 8444.48639161008 | 9457.87467019947 | 7120.56714631433 | 5982.40649466389 | 8159.91203357046 | 10186.4394163806 | 7102.31269297364 | 9332.97856780405 | 9792.26807463634 | 5920.13740416156 | 7009.97125161272 | 8720.46459282231 | 9844.81176101615 | M+Na-2H, M+Cl | |||||||||||
| 2.05_133.8585n | 133.858451051663 | 168.827852351663 | 1 | 2.0482 | 0.206733333333333 | 0 | 0.11659052296468 | 2.69725437170151 | Blank | D6_MA_VO_M_T1 | 100 | 397.052593225256 | 0.32 | 530.637758862311 | 294.551496177842 | 365.968524635615 | 318.577806044221 | 298.739594391523 | 302.60679159309 | 232.752776349806 | 173.560359418128 | 192.358121282689 | 193.328680258712 | 162.120136847733 | 285.16823309072 | 120.291627194455 | 284.615286418876 | 243.390215679121 | 131.538907364117 | 171.845501934804 | 237.73066216332 | 155.740906182987 | 161.768203820001 | 132.64421600289 | 146.885604333122 | 302.696854613128 | 262.717609294207 | 266.503632280103 | 192.102019426146 | 167.875708519427 | 193.086538399664 | 190.373340492854 | 171.997318243194 | 371.168942346425 | 85.9748367493028 | 230.76150903571 | 287.641252004902 | 288.954309669923 | 21.1980120594326 | 14.6762629951856 | 12.5288636542429 | 322.468996328511 | 300.13718449291 | 308.136180790079 | 232.752776349806 | 164.210847462079 | 118.03674960527 | 73.2550086540526 | 64.6264096741143 | 261.287008017541 | 192.539530127583 | 262.719264098065 | 216.285299464404 | 204.368740993058 | 78.0369721544868 | 145.446405418247 | 230.772424038072 | 80.2366176947079 | 178.121498371114 | 245.275288431374 | 242.665458339702 | 228.706825488744 | 294.003391478322 | 246.970132777969 | 131.792414872078 | 178.205844737082 | 201.361969480371 | 151.773658176749 | 275.016398629031 | 64.6323769033993 | 243.806901434887 | 266.796144045103 | 221.61970211599 | M+Cl, M+FA-H | |||||||||||
| 14.26_968.9331n | 968.933078221149 | 1003.91478985922 | 1 | 14.2634 | 0.30955 | 0 | 0.222246556039434 | 465.552387263139 | D0_MA_M_T1 | Blank | 100 - 43.2 - 31.8 | 1272.87689602562 | 22.74 | 0 | 0 | 8.20236517425161 | 442.670694560213 | 436.168737618343 | 495.022573569209 | 333.760527104886 | 445.564210885597 | 305.456523729548 | 160.396543602449 | 242.21154073759 | 0 | 2545.75379205125 | 388.452326024918 | 17.8389902936301 | 1810.26170918456 | 70.3431085636518 | 14.8226959728479 | 1398.03265529919 | 228.359923652889 | 1687.51181481682 | 2508.16963809925 | 17.9420527763912 | 10.5796159657096 | 624.421853025226 | 918.456744177489 | 147.905199201859 | 2.06974099644181 | 1542.08660460908 | 3.5094123376283 | 99.0102189620208 | 1088.14550562968 | 786.689260616394 | 5.44197354283314 | 112.555902222999 | 0 | 0 | 0.280806430041573 | 448.077586920987 | 438.209260942583 | 504.067884337514 | 333.760527104886 | 421.562140765274 | 187.437343255055 | 60.7765499353426 | 96.553473022342 | 0 | 4074.74942665548 | 358.567912899283 | 15.8523683749353 | 2812.55876141566 | 31.9435955113003 | 9.06869912463018 | 2071.5648358223 | 113.265941379415 | 2266.07794920798 | 4188.23910084759 | 14.3837519094896 | 9.21000457071695 | 688.854185332995 | 1180.78604659095 | 116.114377397806 | 1.91023126580907 | 1631.09810969063 | 3.09677124023148 | 73.361293847136 | 818.023425280507 | 831.162319160013 | 5.04759851760974 | 86.3271620712357 | M+Na-2H, M+Cl | |||||||||||
| 2.04_91.9970n | 91.9970100852956 | 136.975613802454 | 1 | 2.0444 | 0.149633333333333 | 0 | 3.30388298361961E-4 | 27.8249827340244 | D20_VO_MA_M_T2 | Blank | 100 | 200.378196194948 | 11.26 | 21.6041315939354 | 0 | 0 | 67.1186786640214 | 107.407589137735 | 70.0075413002291 | 114.228763341898 | 100.427378059205 | 175.937490693999 | 155.20985107196 | 205.870134710267 | 151.913435451225 | 34.8385801893481 | 140.642884934682 | 214.655099999253 | 40.4467429334426 | 237.490812474745 | 174.437732325095 | 81.8685845160061 | 233.477006307403 | 88.1927751789394 | 95.0988169668207 | 151.412783112337 | 143.290313649563 | 86.841049188883 | 38.5116652560017 | 112.666599924559 | 200.814048423401 | 101.829180833564 | 154.289173483284 | 243.389788695272 | 67.5157191574923 | 79.200963028534 | 153.884002934375 | 246.872389455521 | 0.863045711341177 | 0 | 0 | 67.9384832623229 | 107.91007286005 | 71.2867556249815 | 114.228763341898 | 95.0174620217692 | 107.960555014508 | 58.8112377752511 | 82.0665953295294 | 139.191545273168 | 55.7628491393323 | 129.822946952641 | 190.750242179446 | 62.841102273231 | 107.847244829657 | 106.723049122563 | 121.310528905786 | 115.804001362571 | 118.429809710189 | 158.799699037353 | 121.384321813998 | 124.740297561776 | 95.8019324638434 | 49.5113539679997 | 88.4499813012892 | 185.337815007551 | 107.706910800302 | 136.147659253121 | 180.338857898247 | 50.7555649127357 | 83.6783459569843 | 142.732164899689 | 189.344071297269 | M-H, M+FA-H | |||||||||||
| 15.05_832.8316n | 832.83163347819 | 831.82435704619 | 1 | 15.0544333333333 | 0.347833333333332 | 0 | 1.13972168961918E-4 | 1667.79944659594 | D6_MA_VO_M_T1 | Blank | 100 - 53.1 - 15.9 - 1.51 | 10254.442542225 | 20.9 | 0 | 14.2318647804598 | 4.21359500756479 | 2730.18365567452 | 2696.13002446997 | 2736.53761373729 | 2854.84516634672 | 2802.14333863315 | 3168.27754295834 | 4300.99380339183 | 4156.52534428297 | 180.755851420255 | 5459.73012752006 | 1866.58313029753 | 154.126436423952 | 3730.95836492987 | 1240.67085219603 | 1194.86801818053 | 6538.51962812203 | 3202.61839890742 | 17306.2666855426 | 6156.94841720769 | 957.374686191525 | 291.995628633128 | 2956.75476937569 | 2590.39806347275 | 1898.31752455939 | 156.122779195679 | 4473.85618501555 | 128.569693901204 | 1621.62015651046 | 3596.03689391132 | 2488.09726372674 | 253.903231835833 | 1427.51830694837 | 0 | 0.709114002611747 | 0.144251633105718 | 2763.53081267583 | 2708.74329939232 | 2786.54105694784 | 2854.84516634672 | 2651.19485745377 | 1944.15073574452 | 1629.70821435738 | 1656.92747948249 | 165.618572192915 | 8738.87815713726 | 1722.98316278035 | 136.962294742711 | 5796.69756285538 | 563.402566000457 | 731.034257895561 | 9688.591527966 | 1588.49058113484 | 23239.7479975438 | 10281.1116565436 | 767.506379689412 | 254.194583532796 | 3261.85396622474 | 3330.26667598158 | 1490.29215103337 | 144.090789445294 | 4732.09373883151 | 113.452308288085 | 1201.53408463662 | 2703.3539192814 | 2628.75419246788 | 235.503088455601 | 1094.86576722946 | M-H, M+Na-2H | |||||||||||
| 2.05_312.1891n | 312.189128532435 | 311.161808967358 | 1 | 2.0482 | 0.252533333333334 | 0 | 0.022849213585159 | 4.84852988291232 | Blank | D6_VO_MA_M_T2 | 100 - 9.34 - 3.31 | 33798.2848319573 | 2.93 | 34979.9117881367 | 29282.8232576152 | 37132.1194501199 | 7693.11820855702 | 7889.84010265513 | 7500.40129785726 | 7593.18937273009 | 7692.75045886231 | 11324.9864349719 | 15511.7504970438 | 14871.3384901475 | 11221.2016559115 | 4145.29097299154 | 9153.60667559722 | 10982.9512820256 | 4449.60174996046 | 15641.7320400699 | 11892.8739593556 | 4575.0551945777 | 13203.0444056858 | 5497.0888870655 | 5416.20006279582 | 11436.5769355278 | 10312.2754134305 | 7407.61332277538 | 5441.93402823388 | 8499.7289698937 | 10132.6156954463 | 6956.1590575668 | 8586.60301536829 | 12575.0357507576 | 7278.24319881748 | 7586.45610131045 | 9565.47921114103 | 11397.0035372299 | 1397.38376988588 | 1459.0400013138 | 1271.21113010148 | 7787.08390943475 | 7926.75105331588 | 7637.45254410034 | 7593.18937273009 | 7278.35017396337 | 6949.3535245302 | 5877.62465134419 | 5928.20381449201 | 10281.4895448114 | 6634.97863314874 | 8449.40143558131 | 9759.84552381342 | 6913.23598304417 | 7103.0861670268 | 7276.1996779877 | 6779.18604197773 | 6548.67644796267 | 7381.77463555569 | 9044.18127723025 | 9168.45398821252 | 8977.27327721735 | 8171.98407775157 | 6996.25737166483 | 6672.79272611869 | 9351.72049988114 | 7357.67878119969 | 7576.97948005954 | 9317.43109469776 | 5471.4864884508 | 8015.33307119285 | 8872.27736525264 | 8741.17618048694 | M-H2O-H, M-H | |||||||||||
| 2.06_576.4414n | 576.441401156859 | 597.416068976859 | 1 | 2.05961666666667 | 0.138216666666667 | 0 | 1.22758248011223E-10 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 7.6 | 506.24367595215 | 1 | 0 | 0 | 0 | 293.75949222785 | 355.270749739113 | 281.271824018507 | 285.190954320313 | 260.076375177535 | 402.092183098154 | 423.672572980509 | 472.631775478557 | 182.615112851586 | 571.973373052798 | 394.072603648215 | 225.101557631325 | 525.14535327055 | 277.823513890383 | 149.849561288558 | 419.056030609151 | 474.457889540507 | 538.029462363792 | 851.47106275174 | 156.259497317773 | 111.399112935043 | 407.378631639954 | 318.076339614693 | 220.194421873946 | 164.331781434046 | 612.932253651298 | 133.794361114695 | 354.401914525879 | 455.673615359419 | 462.149495093156 | 103.976754034155 | 315.217948271751 | 0 | 0 | 0 | 297.347545320024 | 356.93280891195 | 286.411369555332 | 285.190954320313 | 246.066337474454 | 246.735900819304 | 160.535611988037 | 188.406544313304 | 167.322131005374 | 915.504154873973 | 363.755811342118 | 200.033340150293 | 815.90532289562 | 126.162777455478 | 91.6797178983539 | 620.945250426509 | 235.329906596842 | 722.493727144162 | 1421.8194591334 | 125.269826754599 | 96.9776542580524 | 449.414885242772 | 408.925195387506 | 172.865716285393 | 151.667144536962 | 648.311604102472 | 118.062652587909 | 262.592924892871 | 342.556845309548 | 488.275695843727 | 96.4416503310377 | 241.763162755384 | M+Na-2H, M+Cl | |||||||||||
| 17.99_850.9538n | 850.953834650227 | 871.928502470228 | 1 | 17.9918333333333 | 0.179883333333333 | 0 | 0.0941323634456517 | 4.38107547401524 | Blank | D6_VO_MA_M_T2 | 100 - 33.9 - 0.458 | 1706.11971073472 | 1.62 | 1595.86963450134 | 697.675972382023 | 2824.81352532079 | 502.977431652558 | 624.917091027956 | 473.351669392812 | 475.890725693859 | 548.606244529985 | 468.153990578812 | 490.679498649211 | 729.129660551392 | 894.286520323494 | 322.016231794525 | 738.442305589432 | 876.402386945659 | 252.711801854685 | 617.832019656784 | 1044.72774789998 | 317.726514275969 | 697.156381305301 | 512.471626348921 | 133.344379923737 | 666.54825743503 | 489.253830907344 | 478.153415931413 | 343.919488529622 | 434.93936512581 | 738.974353865247 | 561.223611341926 | 983.840632423327 | 902.438622874658 | 450.797391612095 | 414.037919559012 | 535.435664898025 | 1125.66371963163 | 63.7520854715876 | 34.762261230947 | 96.7069600934778 | 509.120925826136 | 627.840633661758 | 482.000998092072 | 475.890725693859 | 519.053409656906 | 287.273419984437 | 185.925496785127 | 290.655023272028 | 819.395087149864 | 515.421192723134 | 681.632464455245 | 778.802681870175 | 392.632064642024 | 280.564458023455 | 639.176680828669 | 470.798068906075 | 345.787792157605 | 688.173346027861 | 222.663625853512 | 534.357182543996 | 425.916217895077 | 527.492720185621 | 442.149655692436 | 341.453267768194 | 682.023459848946 | 593.618262967544 | 868.159418827005 | 668.658909007238 | 338.891099109629 | 437.444280313701 | 496.633114281482 | 863.351920628943 | M+Na-2H, M+Cl | |||||||||||
| 2.08_648.5369n | 648.536918268334 | 693.547941917163 | 1 | 2.07505 | 0.14105 | 0 | 8.88178419700125E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 16.4 - 11.8 - 0.247 | 969.901493124485 | 2.1 | 0 | 0 | 0 | 476.483598311528 | 607.027666077602 | 439.046611703931 | 440.428671541304 | 449.041290432436 | 667.238255122059 | 649.593748730726 | 829.44580811868 | 961.749290309542 | 672.944443223942 | 788.507465295354 | 649.873488120031 | 715.60266658535 | 1224.20031966362 | 867.431355890436 | 637.977499214455 | 601.609469249043 | 886.175607898492 | 867.696310460859 | 439.316249461129 | 667.246151094051 | 647.684717826389 | 623.244590079599 | 358.008934937799 | 765.789511312216 | 692.675214725799 | 299.570700977861 | 849.934634723214 | 428.086734877195 | 548.736162795574 | 217.531919927209 | 645.809604273865 | 0 | 0 | 0 | 482.30349007171 | 609.867516814851 | 447.069100488633 | 440.428671541304 | 424.851913735287 | 409.437534124989 | 246.140384454124 | 330.644333518549 | 881.208232082534 | 1077.11908070588 | 727.846011451924 | 577.50095499864 | 1111.81413128583 | 555.923112222908 | 530.704670206426 | 945.336826295866 | 298.396766767361 | 1190.00233749637 | 1448.91300808799 | 352.190243826009 | 580.866084486207 | 714.517479632322 | 801.255497599211 | 281.05830496479 | 706.772040584822 | 732.657446081122 | 264.346802812911 | 629.756252864218 | 321.81815333488 | 579.757274579772 | 201.767573457504 | 495.3175202208 | M+Cl, M+FA-H | |||||||||||
| 14.27_830.6086n | 830.608582912616 | 829.551952632054 | 1 | 14.2672 | 0.164733333333333 | 0 | 0.0148694434961408 | 18.0161291326645 | D0_MA_M_T2 | Blank | 100 - 33.8 - 5.02 | 1638.75590167865 | 3.08 | 157.272385197797 | 0 | 115.609079451699 | 964.729286107549 | 985.555066571736 | 1149.28588497713 | 1030.70623335906 | 1266.60724259062 | 1161.95310162267 | 1645.84034666761 | 1555.87369484846 | 1713.39801834437 | 478.772927790244 | 1418.83246938501 | 1858.67933397229 | 733.09221582473 | 2309.77578754492 | 2335.75392139163 | 609.782306758873 | 2008.10018628541 | 509.579952889426 | 534.198450371398 | 1469.82676246939 | 1516.81522834864 | 1122.47241744517 | 745.685908049895 | 1570.50260900026 | 1360.764622933 | 908.120199224659 | 1349.15796761141 | 1721.50564920923 | 946.757659138454 | 906.431269618656 | 1345.8961464923 | 1783.03733108582 | 6.28274536132983 | 0 | 3.9578551053948 | 976.512734778016 | 990.165777810795 | 1170.28623636776 | 1030.70623335906 | 1198.37645764687 | 713.009497050256 | 623.632503346027 | 620.222341034006 | 1569.91063451995 | 766.326939825369 | 1309.67885430678 | 1651.68930572988 | 1138.98721056871 | 1048.89512257431 | 1429.04162515896 | 903.55799587382 | 996.012585507445 | 684.290257681258 | 892.025325349683 | 1178.32801880434 | 1320.45201180296 | 1238.29718471867 | 958.668463100384 | 1232.93794694002 | 1255.89391745258 | 960.538231705026 | 1190.52228426704 | 1275.54390966034 | 711.733806951518 | 957.673574474746 | 1248.36023924409 | 1367.53870405436 | M-H2O-H, M-H | |||||||||||
| 17.01_1245.2624n | 1245.26241496348 | 1226.24457384348 | 1 | 17.0140666666667 | 1.12656666666667 | 0 | 0.215592622533597 | 54.4638150911827 | D6_MA_VO_M_T2 | Blank | 100 - 57.7 - 16.3 | 2866.91602572823 | 2.52 | 0 | 0 | 157.916739082369 | 2068.00161354418 | 2070.57291996136 | 2354.96205660062 | 1730.78906191903 | 2033.47387647958 | 1075.91510940978 | 650.425548165941 | 464.761273111954 | 4.76634162715978 | 4300.02737075591 | 1764.11320157427 | 36.2928647130784 | 4124.3764789313 | 311.949696217199 | 77.341673753557 | 2861.2512123174 | 259.961262279083 | 347.868398981705 | 5721.56967571036 | 12.2623757461083 | 26.4916172330527 | 2131.04617413059 | 3964.43381962886 | 1232.31042261204 | 7.12241754358329 | 1149.44616857896 | 189.245876628439 | 445.142018238505 | 1746.66160791145 | 1810.15414065796 | 27.6250719232413 | 710.127144102957 | 0 | 0 | 5.40624988079401 | 2093.26071080032 | 2080.25965808201 | 2397.99315212407 | 1730.78906191903 | 1923.93280163854 | 660.213987946441 | 246.455565185423 | 185.269103646307 | 4.36718749999704 | 6882.65067827807 | 1628.39645029177 | 32.2511448990947 | 6407.94153814378 | 141.659860067434 | 47.3185424804714 | 4239.72027793742 | 128.940124971219 | 467.135637947693 | 9554.09932008982 | 9.83047886165232 | 23.0620767892621 | 2350.94282667333 | 5096.75405676633 | 967.436968102375 | 6.57351074520417 | 1215.79389066514 | 166.994109467172 | 329.826504234161 | 1313.06898196751 | 1912.48563938388 | 25.6231073141199 | 544.64723616807 | M-H2O-H, M+Cl | |||||||||||
| 2.08_490.4315n | 490.431549403003 | 511.406217223003 | 1 | 2.08266666666667 | 0.0953666666666666 | 0 | 0.11572860031766 | Infinity | D20_VO_MA_M_T1 | Blank | 100 - 5.66 | 327.01853080719 | 4.57 | 0 | 0 | 0 | 199.954034770657 | 254.489619377009 | 188.932204672874 | 189.572368369744 | 217.014841029195 | 264.466564500089 | 301.233950767192 | 262.663842519173 | 3.00581919382604 | 428.179328341673 | 237.251617377335 | 7.26688859942746 | 366.487514896904 | 64.898781106213 | 0 | 247.098154224784 | 242.565571731418 | 391.677761601546 | 561.620066466085 | 9.42181598680916 | 7.21289258964748 | 272.438963914738 | 209.296093101495 | 127.994452043436 | 0 | 398.709525086091 | 0 | 211.114906013061 | 316.440066114799 | 337.596995499581 | 1.45689851005539 | 183.608139163005 | 0 | 0 | 0 | 202.396324166348 | 255.680195315466 | 192.384472501965 | 189.572368369744 | 205.324482368699 | 162.284666977938 | 114.141862660083 | 104.706432052697 | 2.75409885345346 | 685.346508414761 | 218.99937669446 | 6.45761857154415 | 569.402570768098 | 29.4712652762194 | 0 | 366.142983390552 | 120.311906699342 | 525.965110861608 | 937.815005198943 | 7.55326413204233 | 6.27912902831798 | 300.551173267266 | 269.075171919569 | 100.483256772559 | 0 | 421.723624820948 | 0 | 156.424890459798 | 237.886739815579 | 356.682003642744 | 1.351318359375 | 140.822198339449 | M+Na-2H, M+Cl | |||||||||||
| 15.17_375.1673n | 375.167326333434 | 396.141994153434 | 1 | 15.1650333333333 | 0.160116666666667 | 0 | 0.00119159544107295 | 8.6627738201546 | Blank | D0_VO_M_T1 | 100 | 332.211405001865 | 0.7 | 314.185157329975 | 310.851961681931 | 371.59709599369 | 138.976450830053 | 148.480127520608 | 213.458394063099 | 148.229921720923 | 118.789687478538 | 103.184115247142 | 90.7544414149587 | 140.586862129696 | 48.7993818225274 | 39.15358670677 | 83.6977272921879 | 27.8145854509741 | 52.4049186819528 | 24.2937027755185 | 182.7025734835 | 128.721849089175 | 110.829683716566 | 65.566448290842 | 130.177235995558 | 135.823330854486 | 38.113896329609 | 146.099876169094 | 98.1172814355657 | 136.329698628295 | 17.3881737608581 | 103.344997548129 | 54.2419738638336 | 60.8744034283599 | 21.5421416600782 | 77.2794537213936 | 113.422033810978 | 112.301055423341 | 12.551124835622 | 15.4884466771097 | 12.7215567367524 | 140.673944519052 | 149.174760439616 | 217.358817222557 | 148.229921720923 | 112.390613363577 | 63.3168877583769 | 34.3881589754291 | 56.0425393381294 | 44.712709867152 | 62.669475533361 | 77.2586939990366 | 24.7170410156231 | 81.4202236242377 | 11.0320432346362 | 111.779575810807 | 190.73635738365 | 54.9712412674515 | 88.046010330239 | 217.37500588279 | 108.886598366388 | 33.1797638535537 | 161.175510895592 | 126.141505937012 | 107.026921044544 | 16.0481109619098 | 109.310222683289 | 47.8641346512239 | 45.1046876220934 | 16.1945037841771 | 81.6482100291607 | 105.202439009014 | 86.1317018550861 | M+Na-2H, M+Cl | |||||||||||
| 15.16_1093.0312n | 1093.03121488766 | 1074.01337376766 | 1 | 15.1574166666667 | 0.443 | 0 | 0.303618238484613 | 233.292519821027 | D6_MA_VO_M_T1 | Blank | 100 - 54.8 - 32 | 2611.5804565198 | 20.69 | 0 | 0 | 33.5833372436026 | 851.320405871189 | 1132.15820726368 | 1138.72121348334 | 1031.94408985782 | 938.105251584404 | 569.13515774053 | 718.368689383737 | 525.609992865157 | 8.7028100992637 | 4751.13681660746 | 659.454911150879 | 0 | 3271.84838602877 | 46.8714481736694 | 13.2724484101903 | 3072.26246502261 | 557.731669500792 | 4665.42924353881 | 4632.88128197497 | 0 | 4.42944300256917 | 1233.92016926833 | 1615.0548196317 | 235.751466023156 | 5.33921417687137 | 2635.85024034307 | 0 | 91.2046166580604 | 1702.30337256407 | 1267.77426587825 | 19.8376434251019 | 177.632526348048 | 0 | 0 | 1.14971923828284 | 861.718649657463 | 1137.45477033527 | 1159.52852168376 | 1031.94408985782 | 887.570519488174 | 349.238512300964 | 272.200195476349 | 209.525401274586 | 7.97399902343977 | 7604.69927605758 | 608.721727997543 | 0 | 5083.38976483909 | 21.284850954998 | 8.12023949622073 | 4552.39072194316 | 276.633489679839 | 6264.97914832139 | 7736.16514609314 | 0 | 3.85601806640398 | 1361.24491615598 | 2076.3462270707 | 185.078921130682 | 4.92773437499886 | 2787.99538988346 | 0 | 67.5777586698795 | 1279.72226920665 | 1339.44398601949 | 18.4000268941559 | 136.239073991783 | M-H2O-H, M+Na-2H | |||||||||||
| 17.01_1317.3367n | 1317.33669522161 | 1338.31136304161 | 1 | 17.0102666666667 | 1.16945 | 0 | 0.273036684864389 | 175.307435995927 | D6_MA_VO_M_T2 | Blank | 100 - 64.3 - 44 - 21.4 | 3265.38860401862 | 3.36 | 0 | 55.8799217865663 | 0 | 2126.73373868546 | 2310.87650545982 | 2420.02744202913 | 1734.96068102166 | 1749.47719800408 | 813.726043791826 | 705.717168718284 | 588.363835331503 | 0 | 5035.29383808724 | 1655.70251206906 | 38.0968695988784 | 4920.78440187123 | 114.044549475559 | 49.1247774813993 | 3153.43829313554 | 240.089124937744 | 251.765389559174 | 6523.35099830514 | 7.4262097321027 | 7.32905004718129 | 2683.33707677332 | 4223.39559776462 | 1265.10070719812 | 11.310619639039 | 1291.6186432907 | 47.8063393139902 | 478.240464607312 | 1734.03212503564 | 1970.2901061982 | 24.1901745315118 | 543.656335886046 | 0 | 2.78426162804107 | 0 | 2152.71020504388 | 2321.68745315538 | 2464.24744622641 | 1734.96068102166 | 1655.23472216218 | 499.326863029549 | 267.406352914581 | 234.541143369992 | 0 | 8059.52278018832 | 1528.32601161106 | 33.8542485237487 | 7645.30079396903 | 51.7889105713785 | 30.055114626872 | 4672.67474420838 | 119.083595387643 | 338.083557486518 | 10892.9449207269 | 5.95343017577989 | 6.38024902343659 | 2960.2230720132 | 5429.68040976177 | 993.179291563316 | 10.4389386436806 | 1366.17276955512 | 42.1852100709154 | 354.350688458793 | 1303.57465167056 | 2081.67439937161 | 22.4371339083012 | 416.968881170757 | M+Na-2H, M+Cl | |||||||||||
| 2.07_334.2297n | 334.229656305595 | 667.535466467217 | 1 | 2.07125 | 0.218266666666667 | 0 | 1.22124532708767E-15 | Infinity | D0_MA_M_T2 | Blank | 100 - 34.6 - 9.53 - 0.328 | 10147.7171684579 | 10 | 0 | 0 | 0 | 5396.27650652786 | 5447.48447968884 | 5227.65204279769 | 5227.92158261826 | 5625.0540377448 | 8204.52645654062 | 11130.1770731654 | 11306.1643019258 | 10356.9028555273 | 3261.85979608769 | 8047.05028667818 | 12248.3840502375 | 3767.70558717977 | 13441.6593090121 | 12002.9700652882 | 3813.99227960381 | 11218.0034548987 | 5493.77399140892 | 4006.29681503974 | 10106.0320109207 | 8408.31335075908 | 5609.37350438187 | 4492.6431566878 | 5655.19445006335 | 8645.63891667897 | 4617.47857199323 | 7037.77765193901 | 10516.3743046611 | 5514.9445933088 | 6354.07181223584 | 7210.74235450911 | 12357.4257660456 | 0 | 0 | 0 | 5462.18799915278 | 5472.96938536993 | 5323.17442872593 | 5227.92158261826 | 5322.03835976608 | 5034.54508976664 | 4217.38366353495 | 4507.00832250946 | 9489.5708758281 | 5220.9531712921 | 7427.97463929893 | 10884.3545944066 | 5853.79081151234 | 6104.00843430535 | 7343.55776597146 | 5651.46476412896 | 5564.10118461942 | 7377.3232226024 | 6689.8700612078 | 8101.7851773191 | 7319.7935202478 | 6188.18895730314 | 5775.83036474945 | 4439.66396161941 | 7979.34127986439 | 4884.00622105421 | 6210.26694241277 | 7792.0727138948 | 4145.9104900131 | 6713.27972550328 | 6688.18621277923 | 9477.79259745214 | M-H, 2M-H | |||||||||||
| 14.26_910.8964n | 910.896400575297 | 945.877471407129 | 1 | 14.2596 | 0.359100000000002 | 0 | 0.487129274510658 | 299.45015858813 | D0_MA_M_T1 | Blank | 100 - 38.7 - 63.5 - 4.93 | 1585.1932904079 | 20.87 | 0 | 15.8810397484698 | 0 | 511.24977729317 | 637.810838671357 | 663.867550842158 | 551.69804574896 | 612.603083929142 | 375.596065773034 | 257.842423909635 | 276.071890486109 | 0 | 3170.38658081579 | 428.920711357381 | 0 | 2355.51390512889 | 62.5360337979865 | 0 | 1825.28632224119 | 406.465030687218 | 2101.06535956437 | 3073.96558449496 | 0 | 14.8564459204431 | 693.38072824937 | 1036.60610117653 | 175.974115568708 | 0 | 1804.56794507944 | 2.8531807623021 | 123.569712888069 | 1266.06793304134 | 940.445445010224 | 0.170460961480433 | 134.963747131801 | 0 | 0.791285459452619 | 0 | 517.494311998681 | 640.794701980471 | 675.998085138936 | 551.69804574896 | 579.602807387253 | 230.477083435551 | 97.7001910404909 | 110.051320218288 | 0 | 5074.54057135911 | 395.922984538459 | 0 | 3659.70358754975 | 28.398315191264 | 0 | 2704.65710949582 | 201.605621521316 | 2821.41899058074 | 5133.02715258055 | 0 | 12.9331665039046 | 764.928732666445 | 1332.68118269025 | 138.150146023624 | 0 | 1908.73025887773 | 2.5177001953125 | 91.5585695378086 | 951.778251958113 | 993.610636689908 | 0.158107805873497 | 103.513339081099 | M+Na-2H, M+Cl | |||||||||||
| 2.06_708.5227n | 708.52270700228 | 729.49737482228 | 1 | 2.06343333333333 | 0.142016666666667 | 0 | 3.33066907387547E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 14.2 | 458.344193704565 | 0.98 | 0 | 0 | 0 | 266.826701001911 | 278.446703127006 | 230.920031745705 | 215.563657560787 | 189.530137877443 | 290.642173450904 | 365.503335703713 | 386.450124108599 | 433.867848485233 | 335.69297360544 | 371.713264401238 | 452.479461944173 | 401.021632008244 | 515.666755400886 | 324.655794011544 | 344.004241138236 | 375.82115466946 | 407.418208177274 | 622.009202837046 | 281.959897492216 | 253.251877422059 | 309.568147748653 | 222.764002800562 | 183.913831094515 | 382.10391677462 | 387.422557954057 | 272.454449700979 | 406.363127907933 | 150.424599546472 | 403.170135771024 | 227.302819307866 | 482.96282899449 | 0 | 0 | 0 | 270.085790137529 | 279.749357222278 | 235.139523060428 | 215.563657560787 | 179.320350941892 | 178.346810748578 | 138.494454026326 | 154.051708349541 | 397.533872469063 | 537.312271124569 | 343.116620711859 | 402.089523833241 | 623.057372809404 | 234.170064267848 | 198.628219883332 | 509.735653609034 | 186.40633694833 | 547.102194811338 | 1038.65513115109 | 226.04109264965 | 220.466504281412 | 341.511613005363 | 286.389781399241 | 144.383294891749 | 352.65612937358 | 409.78515735863 | 240.418914318084 | 301.093413868022 | 113.08308082957 | 425.962119784045 | 210.830384373678 | 370.418694973339 | x | M+Na-2H, M+FA-H | ||||||||||
| 1.02_344.2271n | 344.227109432804 | 325.209268312804 | 1 | 1.02091666666667 | 0.0875666666666666 | 0 | 0.99989519661561 | 65.181547404381 | Blank | D6_VO_MA_M_T1 | 100 - 11 | 12314.6882386377 | 5.96 | 12747.3437168286 | 24196.7209990844 | 0 | 266.145152893997 | 268.879025956395 | 276.050711271575 | 303.083043490353 | 378.839017412215 | 328.770684042259 | 628.663896424685 | 544.851884302364 | 65.2853444713513 | 563.218857834208 | 365.568293930816 | 135.902888738964 | 540.294151346905 | 419.004415375393 | 199.691552460521 | 431.46447884503 | 568.124239184642 | 522.212071363921 | 603.815606662282 | 105.741938602653 | 92.3072550721035 | 285.550857508083 | 447.231922980811 | 350.902082189492 | 92.1331686640625 | 439.786258311434 | 154.000498094035 | 307.036445597934 | 573.186698717402 | 394.803444611269 | 73.5426289790448 | 344.2447506045 | 509.233165793582 | 1205.62090368498 | 0 | 269.395917427821 | 270.136919694628 | 281.094853911898 | 303.083043490353 | 358.431362492693 | 201.743615767689 | 238.209763349405 | 217.195850998507 | 59.818066477577 | 901.491623112661 | 337.444395090366 | 120.768194838762 | 839.441635097552 | 190.274610199933 | 122.173632267169 | 639.331734415373 | 281.788177813216 | 701.253318250966 | 1008.27475746077 | 84.7710030866919 | 80.3573819578984 | 315.016046230404 | 574.970152479742 | 275.479002907928 | 85.0326971841959 | 465.171367454772 | 135.892926677641 | 227.497637551235 | 430.898390136445 | 417.122443464339 | 68.2130594891669 | 264.025891052158 | M-H2O-H, M-H | |||||||||||
| 2.07_472.2594n | 472.259357685727 | 517.239608251765 | 1 | 2.07125 | 0.26015 | 0 | 2.22044604925031E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 19.1 - 1.66 | 3674.53362674354 | 8.04 | 0 | 0 | 0 | 2262.7391895315 | 2459.92882509758 | 2185.63935768245 | 2454.38336190311 | 2328.64809642763 | 3595.05499313535 | 4633.60414128158 | 5267.08103662893 | 3409.22340179989 | 1374.77139595036 | 2858.85331800231 | 3325.33074538512 | 1720.98846246565 | 5628.07879102143 | 3973.39324018921 | 2094.83459424973 | 3953.94115029277 | 2142.41816749918 | 1709.87374146277 | 2886.18435695075 | 2938.05230765084 | 2400.63854719781 | 2036.56645269443 | 2467.57777687148 | 3373.98000923629 | 1954.77898762323 | 2417.78462036529 | 3785.46644184332 | 2159.9668018658 | 1927.58023494505 | 2223.88209528462 | 3625.33036562689 | 0 | 0 | 0 | 2290.37686103008 | 2471.43708259212 | 2225.57650049824 | 2454.38336190311 | 2203.20630031721 | 2206.03426157543 | 1755.73903993347 | 2099.63144294435 | 3123.72024283746 | 2200.46768659328 | 2638.91602352131 | 2955.00849973365 | 2673.85713007398 | 2555.77377908223 | 2430.9685542442 | 3104.06603584172 | 1961.14475509921 | 2876.94967509277 | 2855.21359987994 | 2313.7909732411 | 2557.6991896657 | 2648.35367740104 | 2618.24986918719 | 1937.19530339873 | 3113.95585966455 | 2067.61170354856 | 2133.49847697898 | 2804.82882373046 | 1623.77497550936 | 2036.55005686567 | 2062.71932032464 | 2780.52484013847 | M-H, M+FA-H | |||||||||||
| 13.14_825.6740n | 825.674007509987 | 870.676466809946 | 1 | 13.1370666666667 | 0.129566666666667 | 0 | 1.43274281327876E-12 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 43.2 - 8.68 - 3.72 | 792.222153999787 | 1.85 | 0 | 0 | 0 | 399.999191168902 | 417.777026434037 | 484.401658682101 | 458.067424932548 | 467.782022079304 | 285.842551653567 | 367.233655461401 | 250.760182797301 | 472.210554044134 | 347.054744447165 | 689.791522359905 | 534.389541216402 | 391.380956360841 | 303.091917282047 | 347.131120250241 | 111.805729676748 | 155.562371462463 | 1428.88193653711 | 339.32002630489 | 330.572314355386 | 428.445552075477 | 244.991293089092 | 368.579356639532 | 345.306648556613 | 322.624586835715 | 475.155091392259 | 334.182341489984 | 528.408820080304 | 279.662411093799 | 401.904127779774 | 273.420652578126 | 444.323659498395 | 0 | 0 | 0 | 404.884882943 | 419.731508021657 | 493.252898551569 | 458.067424932548 | 442.583102101737 | 175.401617935743 | 139.150096989668 | 99.9612424373597 | 432.66559351036 | 555.497992527661 | 636.724483128322 | 474.877766265728 | 608.078893940575 | 137.637443185231 | 212.378887896762 | 165.670535065034 | 77.1585406277014 | 1918.77640202467 | 566.609762068468 | 265.012605697511 | 372.980031194716 | 270.271254596443 | 473.852866931885 | 271.086254741815 | 297.760721728856 | 502.581741559358 | 294.888763290433 | 391.522765303644 | 210.238798268778 | 424.624541923559 | 253.606098922475 | 340.783555620284 | M-H, M+FA-H | |||||||||||
| 15.17_1081.0498n | 1081.04981615733 | 1116.04715007663 | 1 | 15.1650333333333 | 0.351633333333334 | 0 | 0.528906518574471 | 39.8286367691601 | D6_MA_VO_M_T1 | Blank | 100 - 51.8 - 17.4 | 1977.18650164012 | 1.7 | 21.3614499381372 | 127.565552994417 | 0 | 833.481424454583 | 947.76235311365 | 1071.15122648448 | 941.259696110084 | 864.368227969127 | 468.810233010691 | 541.618668681385 | 317.488602454266 | 6.88532273837475 | 3700.59104784316 | 498.275998966819 | 30.2661829615993 | 2667.94158891818 | 27.1539918377822 | 5.92721370693438 | 2578.55901286039 | 400.405762012392 | 3553.96724126784 | 3665.39167671594 | 17.7827032876666 | 9.53575643073109 | 1041.7238416336 | 1440.91448292204 | 198.346431492869 | 11.8496245892614 | 1978.10135277418 | 2.85625441505756 | 135.963298428115 | 1136.0028950746 | 1163.7120897739 | 1.45727365632906 | 189.876898529878 | 0.853351021168275 | 6.35605532195967 | 0 | 843.661778388353 | 952.196259124258 | 1090.72386062426 | 941.259696110084 | 817.805630905376 | 287.676110149508 | 205.227078612219 | 126.56138150403 | 6.30871593952315 | 5923.1891542565 | 459.942631379369 | 26.8956187381179 | 4145.11473826463 | 12.3309326172069 | 3.6263388154243 | 3820.83505552386 | 198.600239668201 | 4772.45061452727 | 6120.61341751061 | 14.2560049041005 | 8.30128055658456 | 1149.21639080028 | 1852.46798670832 | 155.71374452117 | 10.9364038386546 | 2092.28026989077 | 2.52041244412792 | 100.74155569979 | 854.000659424451 | 1229.49897474533 | 1.35166631912893 | 145.630157719291 | M+Na-2H, M+Cl | |||||||||||
| 15.94_1107.1177n | 1107.11773332812 | 1128.09240114812 | 1 | 15.9361 | 1.80258333333333 | 0 | 0.129793561793903 | 139.509098565627 | D6_MA_VO_M_T2 | Blank | 100 - 53.3 - 50.9 - 2.19 | 9098.28854787629 | 15.4 | 195.649358531185 | 0 | 0 | 5673.71416504294 | 5733.38846073664 | 6176.7543060355 | 4895.34907258877 | 5042.8687751407 | 3382.31514441418 | 2900.74370756371 | 2823.09633990534 | 26.7315081261218 | 16322.480060408 | 2579.33058448532 | 45.8463570120925 | 11555.0305319903 | 183.302339978556 | 65.6959337318365 | 10970.839097839 | 1989.04375820575 | 12778.5216053454 | 18158.0176165885 | 38.5594791640561 | 36.3441033334198 | 4615.28809514206 | 6139.23260231262 | 1142.68220672962 | 24.3852283625692 | 9505.97707898748 | 22.8136065065381 | 559.1051935774 | 6007.78440903022 | 4827.56790090202 | 6.94231223174347 | 585.828451197274 | 7.81583555315836 | 0 | 0 | 5743.01435173515 | 5760.21090781284 | 6289.61918376162 | 4895.34907258877 | 4771.2147980227 | 2075.49066878549 | 1099.13337801928 | 1125.37889592071 | 24.4928956580131 | 26125.8635754216 | 2380.89753206128 | 40.7407217584507 | 17952.7646175613 | 83.2396509638396 | 40.193542242046 | 16256.2758519286 | 986.560645643197 | 17159.6582489671 | 30320.9632317007 | 30.9122924208939 | 31.6390839614899 | 5091.52667456006 | 7892.71812694763 | 897.073488382771 | 22.5059201717288 | 10054.6760460509 | 20.1311540846608 | 414.267141588941 | 4516.40736941505 | 5100.47960902918 | 6.43920898437318 | 449.313689052501 | M+Na-2H, M+Cl | |||||||||||
| 16.22_1187.1658n | 1187.16580357956 | 1168.14796245956 | 1 | 16.2191166666667 | 1.52828333333333 | 0 | 0.710034507333421 | 34.8287970790243 | D6_MA_VO_M_T2 | D20_MA_VO_M_T2 | 100 - 52.7 | 3893.75798980954 | 0.57 | 338.242755664203 | 0 | 80.5057230392947 | 1866.51503343417 | 1996.87119871885 | 2242.67607110573 | 1606.38735163639 | 1676.12936658705 | 573.91142269179 | 707.701713316059 | 409.658846235967 | 0 | 6415.88593138478 | 758.779217314081 | 0 | 4795.89306067039 | 62.6209791450451 | 20.6033102319813 | 3593.44493842088 | 491.766222799149 | 2888.99630151685 | 7787.51597961907 | 0 | 7.03577306222052 | 1504.46471545226 | 2842.15484202695 | 402.446001518634 | 29.8978333139526 | 2516.35585954386 | 0 | 223.594170133114 | 1699.00287325667 | 1712.74821806815 | 23.3187988039764 | 242.787766928768 | 13.5121820749397 | 0 | 2.75609829656756 | 1889.31312239638 | 2006.21313890176 | 2283.6554185111 | 1606.38735163639 | 1585.83806040787 | 352.169372648014 | 268.158325314588 | 163.303467035291 | 0 | 10269.307111326 | 700.404816950971 | 0 | 7451.26021180503 | 28.4368898272505 | 12.6053466796806 | 5324.66401673804 | 243.914795875526 | 3879.49332071573 | 13003.8967177009 | 0 | 6.12493896485512 | 1659.70619206249 | 3653.93013986926 | 315.944044933785 | 27.5936825305407 | 2661.60361781457 | 0 | 165.671359881893 | 1277.24108839525 | 1809.57317245095 | 21.6289060115704 | 186.211282488308 | M-H2O-H, M-H | |||||||||||
| 16.23_1177.2007n | 1177.20067627236 | 1212.16991484232 | 1 | 16.23055 | 1.78831666666667 | 0 | 0.260135412133544 | 265.633093048978 | D6_MA_VO_M_T2 | Blank | 100 - 56.9 - 15.5 | 5110.178549434 | 0.94 | 0 | 57.6918640203229 | 0.0213353116417638 | 2846.54723752821 | 2847.62038839967 | 3433.93813756266 | 2363.30123770101 | 2202.00721932877 | 1195.08828494362 | 788.264515154107 | 888.090525256854 | 0 | 8754.43337062799 | 1152.74490589845 | 6.14296826933049 | 6083.10460932174 | 118.888195699647 | 44.4225754647221 | 4994.1259733305 | 480.002774514082 | 3947.23612194943 | 10184.4961215698 | 35.8609772982074 | 46.4057332020907 | 2171.81201811347 | 3655.34756453296 | 543.305189066177 | 0 | 3842.31652615564 | 4.95218271440082 | 263.576757799676 | 2482.90579830523 | 2450.24148269698 | 0 | 276.734711866279 | 0 | 2.87454309359044 | 7.30410383916459E-4 | 2881.31568889016 | 2860.94237899633 | 3496.68484704993 | 2363.30123770101 | 2083.38743256732 | 733.342245731198 | 298.684725939386 | 354.022043337249 | 0 | 14012.4007549517 | 1064.0619384186 | 5.45886254311927 | 9451.16889936468 | 53.988464713091 | 27.1782523212167 | 7400.15314578203 | 238.080155442288 | 5300.55236219947 | 17006.4672783115 | 28.7489624023391 | 40.3981596575901 | 2395.91518327838 | 4699.38669077554 | 426.526884151774 | 0 | 4064.10068274619 | 4.36989886936227 | 195.296325802841 | 1866.54734616871 | 2588.75835125141 | 0 | 212.24761962892 | M+Na-2H, M+Cl | |||||||||||
| 3.65_698.5639n | 698.563907062787 | 733.49535057938 | 1 | 3.64815 | 0.1992 | 2 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 41.6 - 9.69 - 0.281 | 2386.31766407611 | 4.05 | 0 | 0 | 0 | 1968.92488696276 | 1980.14494120049 | 1783.27545345024 | 1942.4538690692 | 1759.91494562002 | 2247.54463309619 | 2688.75658352024 | 2854.24801951311 | 2080.05227422769 | 1330.77439375333 | 1921.69390008834 | 2386.11821522998 | 1624.80136331392 | 3147.83396483829 | 2424.7716742575 | 1463.7517584606 | 2017.74625762197 | 1416.29187046699 | 1572.24567153572 | 1683.76301064889 | 1882.56882325321 | 1993.54668778798 | 1574.8100524515 | 2582.20714497072 | 2247.74279775907 | 1397.66273561311 | 1552.89329042537 | 2943.58775662507 | 1735.73016819989 | 1533.63397855851 | 2196.65634302263 | 2351.11078583522 | 0 | 0 | 0 | 1992.97383590174 | 1989.40863112003 | 1815.86039305339 | 1942.4538690692 | 1665.11019941606 | 1379.16122966064 | 1018.80841751383 | 1137.79697826084 | 1905.85967224524 | 2130.04580996222 | 1773.85415100272 | 2120.39046556774 | 2524.4136175245 | 1429.4667517933 | 1483.50372968907 | 2168.94552477468 | 1000.79701235902 | 1901.86981159368 | 2625.39690204308 | 1349.83603723521 | 1638.85603438237 | 2199.25515560713 | 2024.60676319727 | 2027.18617444432 | 2074.51491619389 | 1478.33788272967 | 1370.30215269251 | 2181.04159997301 | 1304.85117128886 | 1620.33326012678 | 2037.46659432795 | 1803.23481796724 | M-H, M+Cl | |||||||||||
| 13.74_706.6875n | 706.687505679239 | 705.680229247239 | 1 | 13.7444 | 0.236033333333333 | 0 | 1.43058323631706E-7 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 44.3 - 9.02 - 0.247 | 3026.21382656183 | 9.35 | 0 | 0 | 0 | 1866.74378153139 | 1952.2103657012 | 2005.98838342627 | 1912.69890591858 | 1943.97942005698 | 2291.49832894111 | 2961.73144071555 | 2957.7105677645 | 252.337280802524 | 4337.18811536064 | 1647.95582365314 | 279.946484815252 | 3217.44533777697 | 1545.09022056043 | 522.888622791486 | 2412.63246282227 | 2826.12575988342 | 3226.30189324024 | 3930.11880646127 | 356.264596218874 | 447.298291280806 | 2154.51403474653 | 2009.81469506177 | 1678.19229965427 | 161.516805593687 | 3469.93799627037 | 127.559345269938 | 1600.42449602367 | 3105.84830478198 | 2215.33810646047 | 250.495867954991 | 1293.63858741908 | 0 | 0 | 0 | 1889.544664481 | 1961.34336960879 | 2042.64284989812 | 1912.69890591858 | 1839.25931639351 | 1406.13254418626 | 1122.2425044761 | 1179.0405471304 | 231.205462114704 | 6942.13039829067 | 1521.17529140402 | 248.770515007469 | 4998.86509681346 | 701.642819628697 | 319.909387905847 | 3574.9698355053 | 1401.75118965434 | 4332.44467598189 | 6562.66506306627 | 285.609547024055 | 389.39214055808 | 2376.83226972818 | 2583.85728365207 | 1317.4807584837 | 149.069111801468 | 3670.2279168653 | 112.560757714114 | 1185.82923019274 | 2334.8501239356 | 2340.57543488838 | 232.342653231408 | 992.183846356416 | M-H, M+Na-2H | |||||||||||
| 16.17_1059.0674n | 1059.06739827583 | 1040.04955715583 | 1 | 16.1658333333333 | 0.469533333333331 | 0 | 0.0117504837197506 | 2638.4322850549 | D6_MA_VO_M_T2 | Blank | 100 - 56.9 - 87.1 - 41.4 | 3428.6946327558 | 7.89 | 0 | 3.898558987673 | 0 | 2732.78702021301 | 2545.35401454472 | 2867.90651011151 | 2508.47806253547 | 2573.59940812451 | 2050.5113533984 | 2337.3029815061 | 1968.38163282353 | 20.3864597462427 | 5990.028129719 | 1472.64008444881 | 12.4222203173921 | 3997.69292132872 | 328.010533942071 | 90.6953853199127 | 3778.97201112662 | 1618.46132529312 | 3633.0446417776 | 6767.79616932769 | 89.5930961839005 | 29.5045405060668 | 1876.26881453591 | 2724.48324326409 | 1028.99212993094 | 15.2111980719013 | 3461.55290385945 | 9.67759000736105 | 713.720746924631 | 2916.06415409223 | 2607.94262575187 | 25.2167153585385 | 683.529943769744 | 0 | 0.194248807925892 | 0 | 2766.1659753704 | 2557.2619157471 | 2920.31039434524 | 2508.47806253547 | 2434.96234539308 | 1258.25566173084 | 885.637609009936 | 784.661549584883 | 18.6792091581646 | 9587.67645301472 | 1359.3469420975 | 11.0388317536235 | 6211.1164337654 | 148.953266832244 | 55.4884997280737 | 5599.57273110425 | 802.752701363424 | 4878.63982873156 | 11301.1289636794 | 71.8248287625129 | 25.6849543309063 | 2069.87570893138 | 3502.64921915082 | 807.820016868423 | 14.0389093115097 | 3661.35882459762 | 8.53968685532143 | 528.829023800258 | 2192.17813732353 | 2755.37464355085 | 23.3892822265506 | 524.247943208227 | M-H2O-H, M-H | |||||||||||
| 16.23_1119.1521n | 1119.15211528882 | 1154.12400606378 | 1 | 16.23435 | 1.02741666666667 | 0 | 0.507553197462832 | 54.7318499798004 | D6_MA_VO_M_T2 | D20_VO_MA_M_T2 | 100 - 59.8 | 3513.39043246208 | 3.28 | 0 | 115.789159031989 | 103.688744231228 | 2020.90278594635 | 1976.32658211838 | 2223.23885439224 | 1663.05173927918 | 1665.02533078891 | 818.569294739187 | 739.015961233761 | 545.750227456905 | 11.7850250717029 | 6198.41617089218 | 720.691285469421 | 0 | 4278.28828945863 | 55.5117207036807 | 5.28336030159708 | 3971.77749366076 | 436.283502230457 | 3599.77697129276 | 7000.22935417255 | 26.5515107516082 | 18.1364572796331 | 1491.84064324551 | 2449.18834753734 | 428.101359502237 | 15.3400562083777 | 2809.85798205989 | 6.41360478376679 | 258.192857029664 | 1928.5278051457 | 1841.12891877177 | 5.82785725585121 | 122.557732990367 | 0 | 5.76928710937125 | 3.54976466964257 | 2045.58660615283 | 1985.57240865136 | 2263.86303483144 | 1663.05173927918 | 1575.33218720748 | 502.298828005798 | 280.023742794999 | 217.553960076516 | 10.7980959415537 | 9921.22365382555 | 665.247065759351 | 0 | 6647.07050440744 | 25.2084957361542 | 3.23242175579708 | 5885.26638515269 | 216.395507574063 | 4833.96628402195 | 11689.2549254622 | 21.2857663631338 | 15.7885555565938 | 1645.77947740087 | 3148.72468908167 | 336.085026692772 | 14.1578366756459 | 2972.04711417543 | 5.65948510171438 | 191.307142357199 | 1449.78857400242 | 1945.21148134131 | 5.405517578125 | 93.9982805875535 | M+Na-2H, M+Cl | |||||||||||
| 3.66_704.5211n | 704.521136793979 | 739.5667650407 | 1 | 3.66446666666667 | 0.0924666666666663 | 0 | 8.18579426464794E-10 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 36.7 | 166.32300530994 | 0.99 | 0 | 0 | 0 | 144.891726759442 | 116.770633777418 | 120.849830235634 | 182.176126074322 | 97.1628951825377 | 84.6323618909551 | 84.1600917135159 | 63.2412844882317 | 82.3804214161951 | 188.764832066248 | 156.959561966149 | 108.366705965156 | 214.357161944362 | 89.2076891635902 | 66.916962831471 | 154.431907083791 | 57.1134244904748 | 159.671361914135 | 225.88374576616 | 43.6702977066197 | 112.236881494935 | 192.7073580759 | 162.443824477283 | 170.202186142597 | 107.763433609775 | 109.28886668082 | 44.717884930666 | 222.372112929839 | 124.241986662278 | 165.804516765591 | 67.1239440062268 | 93.7371507782319 | 0 | 0 | 0 | 146.661471131911 | 117.316920526694 | 123.058061393451 | 182.176126074322 | 91.9288333654326 | 51.9329719089135 | 31.8894653320411 | 25.2100524902242 | 75.4815275101629 | 302.138169699004 | 144.884349437973 | 96.298552455144 | 333.041410995975 | 40.5102134000942 | 40.9405821561944 | 228.832786581295 | 28.3281132995508 | 214.414944640197 | 377.189453971976 | 35.0095240413128 | 97.7069673343321 | 212.592287588764 | 208.840974290432 | 133.618838163498 | 99.4583769400251 | 115.597180677479 | 39.4599000215671 | 164.765880644221 | 93.4000599803241 | 175.177765327717 | 62.2595309578737 | 71.8937172330251 | M-H, M+Cl | |||||||||||
| 16.25_960.8247n | 960.824717834027 | 995.844686517222 | 1 | 16.2458666666667 | 0.141916666666667 | 0 | 2.31162283949038E-5 | 85.1800491256832 | D20_MA_VO_M_T2 | Blank | 100 - 45.9 - 10.9 - 0.378 | 1938.73675827233 | 0.6 | 68.2813679320046 | 0 | 0 | 908.747410371068 | 855.038065098746 | 829.718876431607 | 882.252853532596 | 877.030942060074 | 747.039217119769 | 923.521027043685 | 881.920293132066 | 1499.2836909195 | 460.537837326631 | 1164.42431217298 | 1795.56114911421 | 762.386790267768 | 2388.96703429714 | 1233.11513320074 | 415.169366269906 | 928.735687587099 | 408.029673809238 | 741.455069304541 | 686.054858547433 | 1843.4381179151 | 1513.41805723762 | 625.004037946175 | 1377.81618816302 | 1866.34966625123 | 313.72878746967 | 1332.87217868961 | 2544.60133785506 | 680.439269508177 | 800.2995904007 | 1059.40657298918 | 1050.42442323406 | 2.72771629361711 | 0 | 0 | 919.847082184424 | 859.038180110368 | 844.879932691203 | 882.252853532596 | 829.786218056818 | 458.405813222187 | 349.935357432493 | 351.56238621609 | 1373.72716983251 | 737.139740087665 | 1074.8428246463 | 1595.60021654613 | 1184.50146499594 | 1084.85675699654 | 754.434291137741 | 615.186102281216 | 460.650539133602 | 547.923302416704 | 1238.11047929608 | 549.99519868936 | 1604.79109514569 | 1669.58340396929 | 803.517478366108 | 1081.66764738826 | 1722.51479365508 | 331.837674140897 | 1176.15139880089 | 1885.41393431124 | 511.526499956777 | 845.542067091482 | 982.632312575018 | 805.645529351746 | M-H2O-H, M+Cl | |||||||||||
| 3.12_472.4091n | 472.409139707025 | 453.391298587025 | 1 | 3.12181666666667 | 0.285516666666667 | 0 | 1.56166846364547E-5 | Infinity | D20_VO_MA_M_T1 | Blank | 100 - 20.5 - 3.43 | 2019.20505321198 | 4.01 | 0 | 0 | 0 | 1385.34587127324 | 1385.00955659942 | 1335.93401484109 | 1295.64684574334 | 1140.00632788412 | 1497.96165272791 | 2129.51580882125 | 2024.38462110338 | 61.7232927773465 | 2985.02741059156 | 1264.07073964907 | 130.783634769334 | 2386.7139000961 | 841.018760479483 | 219.549012814986 | 1969.52098933433 | 1927.47538701716 | 2040.03938428082 | 2620.22505092287 | 153.685924176316 | 185.490288243289 | 1443.26808158181 | 1644.51221427769 | 1072.98521391351 | 72.3567851625868 | 2458.84860400697 | 43.4950881355339 | 1056.27983815705 | 2391.60245735421 | 1646.80764906975 | 141.005013748039 | 998.071273275317 | 0 | 0 | 0 | 1402.26683780765 | 1391.48903130906 | 1360.34489825406 | 1295.64684574334 | 1078.59539955776 | 919.194486524927 | 806.904070287898 | 806.986179540924 | 56.5543164467865 | 4777.85352528466 | 1166.82325347678 | 116.21904164143 | 3708.17824663133 | 381.916063289442 | 134.322659250101 | 2918.3799172744 | 956.022890110954 | 2739.47016171642 | 4375.35358238845 | 123.206649366316 | 161.477165908613 | 1592.19484990541 | 2114.21723274126 | 842.357204093827 | 66.7804297970714 | 2600.77695897494 | 38.3808812048808 | 782.647047993795 | 1797.90921706015 | 1739.90485612934 | 130.786504706086 | 765.492158696211 | M-H2O-H, M+Na-2H | |||||||||||
| 6.04_841.5906n | 841.590630133878 | 1682.1732133516 | 1 | 6.04403333333333 | 0.3552 | 11 | 0 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 77.3 - 25.1 - 2.44 | 6668.96893407154 | 2.84 | 0 | 0 | 0 | 4730.08199270388 | 4609.8305614835 | 4459.62159915463 | 4637.82504069087 | 4634.25087491162 | 5480.45267880411 | 6884.91359082899 | 6586.30499839455 | 6709.65140282859 | 4295.11002463884 | 6178.87905105914 | 6470.80639055788 | 2029.23118566036 | 4468.13845715986 | 3668.79237236005 | 2448.11060276355 | 7047.98077910041 | 3890.12923646261 | 3814.49716507336 | 7821.91622677345 | 2883.06005223956 | 3001.34130662963 | 2279.44451788708 | 4122.70875452582 | 8411.42122661845 | 4524.05832551906 | 5990.83366130734 | 7347.10420683574 | 4090.03210693143 | 3788.05788859869 | 4368.79664033268 | 4964.11357894531 | 0 | 0 | 0 | 4787.85641623466 | 4631.39668021284 | 4541.11013205637 | 4637.82504069087 | 4384.60870945647 | 3362.97119278295 | 2608.7924668169 | 2625.51743010613 | 6147.7560837853 | 6874.77994335714 | 5703.52554731068 | 5750.19128872091 | 3152.76621121143 | 2029.03184801462 | 2244.61017325171 | 3627.5403293805 | 3495.78054239613 | 5223.86628935935 | 6369.59555452538 | 6270.65943149845 | 2509.82609811554 | 3311.04126267839 | 2930.4986846274 | 3236.57155263973 | 7763.17415782915 | 4785.19362066237 | 5286.42393725812 | 5443.81253060311 | 3074.71937926466 | 4002.20409432453 | 4052.19379916375 | 3807.3333250939 | x | x | M-H2O-H, 2M-H | |||||||||
| 3.66_392.2439n | 392.243900354761 | 783.522857059041 | 1 | 3.66446666666667 | 0.122933333333334 | 0 | 0 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 9.91 | 357.970064843742 | 4.18 | 0 | 0 | 0 | 311.847081744987 | 287.932615409934 | 237.024793267756 | 361.54426548376 | 269.860499293949 | 302.195040354391 | 217.449987421867 | 196.77639853064 | 329.468442810523 | 273.759613003588 | 343.481259523047 | 364.392968419404 | 257.932759344899 | 407.26565452558 | 382.856024130762 | 246.60626349682 | 230.870971921757 | 202.365944065309 | 268.631008726207 | 251.397824929528 | 272.143144482228 | 343.312511232417 | 236.539885244863 | 402.40894049405 | 359.299006237892 | 218.120107827565 | 243.967031629098 | 453.156654755191 | 183.393278947218 | 277.99610528012 | 339.742175789498 | 376.197953897987 | 0 | 0 | 0 | 315.656061252184 | 289.279647342487 | 241.355833970489 | 361.54426548376 | 255.323401231506 | 185.435998607228 | 82.3949177592063 | 78.4415335004435 | 301.87732597401 | 438.181347155719 | 317.056560344282 | 323.812697554032 | 400.743736925418 | 184.943907078517 | 234.235802802272 | 365.414113767044 | 114.511414934814 | 271.747432812392 | 448.570494338593 | 201.540146461377 | 236.912153777076 | 378.737962314841 | 304.100326694737 | 315.914949825442 | 331.608735909312 | 230.710321002525 | 215.281082537088 | 335.764922619077 | 137.867589804559 | 293.711760347451 | 315.121359813115 | 288.533085299039 | M+Na-2H, 2M-H | |||||||||||
| 6.36_939.5516n | 939.551611804632 | 974.478168639271 | 1 | 6.35746666666667 | 0.206650000000001 | 0 | 1.4432899320127E-15 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 20.4 - 1.33 | 1121.48916811872 | 3.76 | 0 | 0 | 0 | 722.245819857592 | 734.634902738028 | 653.263546248258 | 814.334533890297 | 874.663372677917 | 923.669939307126 | 1001.66753782802 | 812.417430522831 | 1077.92671561304 | 510.406565408772 | 895.384071029245 | 1086.65202583401 | 478.683881109114 | 1377.7124449472 | 1576.34176836153 | 526.415245623777 | 910.199446983301 | 602.183442711756 | 439.096738894403 | 1193.92842118714 | 823.90745533744 | 703.740950320424 | 466.089923937771 | 1076.33798749314 | 1062.24430091815 | 793.256833232729 | 1016.58781258001 | 1187.92166650965 | 723.69377999692 | 763.182386638468 | 1011.042429377 | 1231.93590686044 | 0 | 0 | 0 | 731.06751384813 | 738.071736982553 | 665.2003186399 | 814.334533890297 | 827.546187119035 | 566.791756006415 | 379.546190735289 | 323.856263091318 | 987.656455742411 | 816.959937859818 | 826.50038648919 | 965.638072858944 | 743.719284858734 | 625.634692166825 | 964.424369294516 | 780.027067137142 | 451.456610934468 | 808.643002630108 | 733.220792946792 | 957.146343401771 | 717.246396665081 | 776.357996873084 | 599.214369246335 | 844.989330745596 | 980.379805506928 | 839.044783423869 | 897.056144532495 | 880.186624752573 | 544.043477369975 | 806.32655633749 | 937.773075814525 | 944.859652781368 | M-H, M+Cl | |||||||||||
| 6.33_1527.0631n | 1527.06305588367 | 1526.05577945167 | 1 | 6.33463333333333 | 0.286716666666666 | 0 | 4.18435276872131E-7 | 288.066078061258 | D20_MA_VO_M_T2 | Blank | 100 - 94.7 - 47.1 - 13.8 - 3.61 - 0.426 | 16486.8160169847 | 0.2 | 8.6252330595553 | 163.073039725053 | 0 | 12503.5081510391 | 12143.3278086682 | 12094.8766257179 | 11784.538414227 | 12390.0844228353 | 15025.264178992 | 20216.7818510845 | 20245.3992097246 | 15979.2676294458 | 10155.8448832969 | 14346.7827247252 | 17809.753335494 | 9073.3153941304 | 21896.9789804866 | 20388.6270881378 | 8628.09247835485 | 17264.3874133988 | 9496.6948222034 | 9590.66957418496 | 22297.6497119448 | 11803.1327527029 | 11836.0896996399 | 7008.25903839422 | 15736.9630144356 | 16531.817348043 | 10585.2596823937 | 15722.2884617348 | 17251.3435722346 | 11102.1375225212 | 10933.8476913518 | 12883.9440932872 | 14638.2377460659 | 0.344562352298251 | 8.12524414061784 | 0 | 12656.2291771552 | 12200.1378032652 | 12315.8805225607 | 11784.538414227 | 11722.6437535712 | 9219.955642228 | 7660.42848622584 | 8070.48087167928 | 14641.0944303224 | 16255.508778825 | 13243.0560812093 | 15826.3873623944 | 14096.9853018348 | 9943.66404548607 | 12474.0010160973 | 12784.8608618929 | 8563.09225120383 | 12752.6518854558 | 16014.8726400942 | 17875.5388593738 | 10275.1278452366 | 13057.4224589868 | 9009.95559768204 | 12354.451854391 | 15257.751783033 | 11196.2564274486 | 13873.6420958238 | 12782.3258884628 | 8346.1343332505 | 11551.959152672 | 11950.2560228153 | 11227.1102393038 | M-H, M+Na-2H | |||||||||||
| 3.66_724.5360n | 724.536007579411 | 723.551817246778 | 1 | 3.66053333333333 | 0.0962833333333335 | 0 | 6.0594529394109E-11 | Infinity | D0_VO_M_T1 | Blank | 100 - 28.1 | 274.80839330481 | 8.33 | 0 | 0 | 0 | 267.647899678826 | 227.023398071027 | 231.965477481779 | 282.935178327961 | 209.327775754057 | 205.438468341785 | 175.894045035336 | 178.015141323354 | 120.024648684641 | 349.958650115144 | 309.31574100115 | 189.756051439673 | 353.0197619624 | 196.59702464722 | 96.742959226127 | 267.491066741796 | 200.597571805528 | 276.401468407427 | 416.408975300574 | 84.9901341694231 | 131.527870155906 | 308.390959790944 | 246.909574477104 | 277.819236584885 | 186.768065002096 | 256.610839606769 | 59.7684303385211 | 347.862405038494 | 254.734194938955 | 288.16905278934 | 134.214887992741 | 241.513050497146 | 0 | 0 | 0 | 270.917019143778 | 228.08547909371 | 236.204071726508 | 282.935178327961 | 198.05151112366 | 126.063245394837 | 66.6487754119926 | 70.9626803619325 | 109.973263863474 | 560.146002084833 | 285.519463385999 | 168.624052106188 | 548.47805674875 | 89.2769165635222 | 59.1884763240913 | 396.36061837219 | 99.4958854668131 | 371.166155512082 | 695.335883907517 | 68.1347346305768 | 114.500591442906 | 340.212954337889 | 317.431803033211 | 218.104622821009 | 172.374320185475 | 271.42279438633 | 52.7407834529914 | 257.747496995128 | 191.498781736413 | 304.459804165707 | 124.488453378372 | 185.233611394975 | M-H2O-H, M-H | |||||||||||
| 3.65_656.5541n | 656.554137916121 | 655.509976612509 | 1 | 3.65195 | 0.233466666666667 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 34.3 - 31.1 - 7.3 - 0.351 | 3593.69631594497 | 6.16 | 0 | 0 | 0 | 2295.23054447918 | 2444.66931238154 | 2250.53367416215 | 2512.69211588091 | 2512.79464697859 | 3359.3680986901 | 4443.09027188716 | 4843.46809033536 | 3393.00111304037 | 1644.59863282099 | 2744.92832485726 | 4162.94135911498 | 2027.85024964275 | 5159.54238224719 | 3432.34513405781 | 1828.59322401972 | 3131.09645686386 | 1904.16748674926 | 2063.29562105991 | 2310.79129448655 | 2960.6683452747 | 2713.6273749033 | 2082.35065265927 | 3920.26607174399 | 4028.87519177484 | 1780.77283792225 | 2291.8403194525 | 4525.3898706622 | 2504.18564854876 | 1946.75572411299 | 3115.40936283747 | 3405.49383811217 | 0 | 0 | 0 | 2323.26507364423 | 2456.10618146851 | 2291.65659979068 | 2512.69211588091 | 2377.4330720557 | 2061.4096688659 | 1683.55060347112 | 1930.7654134508 | 3108.85647892088 | 2632.3548479392 | 2533.75550759106 | 3699.33941673306 | 3150.62068513884 | 2343.00613446416 | 2099.94898159395 | 2709.55718204703 | 1553.01587977191 | 2557.01436602367 | 3445.37118441458 | 1852.51091994548 | 2577.38740997183 | 2993.63894069353 | 2677.11093675028 | 3077.64200724983 | 3718.37991835766 | 1883.56166316593 | 2022.36286468403 | 3353.07263790468 | 1882.54466996006 | 2056.80957335553 | 2889.63839273264 | 2611.91650272457 | M-H2O-H, M-H | |||||||||||
| 6.23_864.5852n | 864.585165769933 | 909.561661332731 | 1 | 6.23456666666667 | 0.55805 | 27 | 0 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 50.2 - 13.3 - 2.65 - 0.176 | 116322.946115046 | 2.9 | 0 | 0 | 0 | 67125.4697250734 | 65589.1917635729 | 65248.5638466369 | 66080.5399561728 | 69919.0151786962 | 95674.6435870592 | 135769.144964617 | 130383.688410837 | 76465.1056038967 | 37292.5817157754 | 84793.1660378824 | 88340.6911923707 | 40394.3740001953 | 117127.641363151 | 87005.4921364552 | 43219.7504722627 | 175291.864155841 | 57354.0280742522 | 38801.890924792 | 95600.947674999 | 99390.1227335343 | 60028.6061964193 | 54172.6884195588 | 77303.270261468 | 76461.3648906843 | 72065.4051643015 | 104067.299398199 | 99358.9400977245 | 72012.1131955077 | 52121.9036170571 | 66581.2403607426 | 93008.8119957407 | 0 | 0 | 0 | 67945.3572711204 | 65896.0369454225 | 66440.8196521106 | 66080.5399561728 | 66152.5521997074 | 58708.8492721491 | 51444.875514729 | 51975.2192781268 | 70061.5859082434 | 59690.7393163177 | 78269.8584545881 | 78502.7154691549 | 62759.7379592849 | 53188.9772188779 | 53230.9798312819 | 64041.7911212477 | 86944.3188286543 | 77017.9486603632 | 64792.9048695414 | 76641.1921092268 | 86523.3187694986 | 66222.7889971671 | 69645.4732328393 | 60687.664434124 | 70568.6798936281 | 76225.1262583135 | 91830.9360144027 | 73619.6776177737 | 54135.7706236069 | 55068.4551806949 | 61756.1565671519 | 71335.1021903922 | M+Na-2H, M+FA-H | |||||||||||
| 3.65_604.5461n | 604.54609040394 | 1208.06010074705 | 1 | 3.65195 | 0.100083333333333 | 0 | 3.77475828372553E-15 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 53.5 - 8.21 | 682.794310469916 | 1.7 | 0 | 0 | 0 | 431.841828086693 | 472.497100666679 | 435.208672850377 | 430.972490027753 | 417.988391832604 | 434.959265382684 | 528.795033224631 | 471.280430089234 | 668.161679364527 | 209.658297416761 | 503.724175827622 | 772.773486034625 | 334.110101292988 | 663.333691200421 | 627.786129181347 | 319.784239104911 | 284.955928952535 | 256.859912902314 | 341.32292432063 | 365.975951360348 | 532.116846712536 | 545.062005439067 | 376.975959842854 | 716.318469434074 | 741.354765000627 | 252.621025185802 | 414.910902455941 | 950.677718483892 | 298.888611849193 | 368.572394908333 | 657.404983297527 | 558.257564322073 | 0 | 0 | 0 | 437.116453920383 | 474.707578565234 | 443.161032813701 | 430.972490027753 | 395.471801753911 | 266.904134611593 | 200.368019288461 | 187.867853670428 | 612.206921440626 | 335.580380891489 | 464.97166911503 | 686.714313386788 | 519.098585525715 | 301.227278028953 | 384.086911759549 | 473.847146752202 | 141.337416076187 | 344.924746335242 | 569.95427898515 | 293.394928373714 | 463.230291748045 | 601.305418594197 | 484.647705081962 | 562.352598459847 | 684.220418687806 | 267.20268201352 | 366.125158963903 | 704.40150714518 | 224.692272106321 | 389.408502018117 | 609.763423699834 | 428.167606326357 | M+Cl, 2M-H | |||||||||||
| 15.97_878.8043n | 878.804259210725 | 923.80283065024 | 1 | 15.9713166666667 | 0.138133333333332 | 0 | 1.25001120565571E-11 | Infinity | D6_VO_MA_M_T1 | Blank | 100 - 36.4 - 0.834 | 565.709312938879 | 9.57 | 0 | 0 | 0 | 343.438866299884 | 361.765954910847 | 404.156917002686 | 337.936895791678 | 322.426159227526 | 292.675648803181 | 329.55075256686 | 323.925320253393 | 424.345705463885 | 174.053722314352 | 361.937590067707 | 630.645367516001 | 214.848820305144 | 614.637689380228 | 490.292234012195 | 275.647247775915 | 235.379446017166 | 589.646266272313 | 447.970874407965 | 303.247683345337 | 510.357297620983 | 621.061328256774 | 109.275527347507 | 283.454939891249 | 593.122007593217 | 77.616050806814 | 278.073719382399 | 800.90477805418 | 118.857157815304 | 176.353598210676 | 225.986441818276 | 258.796897640774 | 0 | 0 | 0 | 347.633715892163 | 363.458400529353 | 411.541883080275 | 337.936895791678 | 305.05740497542 | 179.594612605784 | 124.871504832749 | 129.127268564894 | 388.809155017201 | 278.591475508006 | 334.093008525451 | 560.414155468198 | 333.805288408409 | 279.113876774384 | 299.966535206827 | 408.44621434224 | 116.747606620433 | 791.807435124565 | 748.039169176036 | 243.107045705844 | 444.287681048423 | 685.146897478722 | 140.486766245432 | 222.528985075672 | 547.411586904739 | 82.0961633245876 | 245.37746323351 | 593.427742937786 | 89.3519652033281 | 186.323206657416 | 209.609403600293 | 198.489828475677 | M+Cl, M+FA-H | |||||||||||
| 3.66_892.5668n | 892.566794623268 | 873.548953503269 | 1 | 3.66446666666667 | 0.12305 | 0 | 0 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 10.2 | 848.48871963189 | 0.54 | 0 | 0 | 0 | 580.097760242331 | 476.844440889452 | 487.584004492316 | 479.270449466766 | 503.580188448597 | 557.134942459816 | 573.639637177407 | 645.429159493999 | 564.459169335006 | 376.787994126698 | 487.853347446118 | 692.730289293869 | 412.409977172259 | 949.534064397299 | 518.279239174275 | 355.102770913433 | 525.778103704389 | 396.175553925499 | 439.354062044996 | 666.353879251232 | 534.582604029063 | 538.64771404438 | 368.864356246929 | 735.829856300482 | 765.62423580965 | 440.063078835808 | 377.503842518526 | 720.414064840442 | 548.914855932398 | 612.21908362938 | 697.206308471483 | 999.771130792297 | 0 | 0 | 0 | 587.183221708156 | 479.075256901123 | 496.493393844984 | 479.270449466766 | 476.452859325092 | 341.874817974706 | 217.360282651828 | 257.289255290076 | 517.188909525875 | 603.089217752414 | 450.321815252722 | 615.585049916368 | 640.751162501009 | 431.19408136281 | 317.089312984857 | 526.181137857545 | 260.784602307377 | 532.004978503385 | 733.650481140324 | 534.20135379869 | 465.376838109378 | 594.229254536567 | 474.219268030066 | 577.67019750563 | 706.619502449367 | 465.46416646663 | 333.11646797774 | 533.788415543675 | 412.651808341882 | 646.82900715425 | 646.680381925686 | 766.795900858711 | M-H2O-H, M+Na-2H | |||||||||||
| 3.66_608.5343n | 608.534273159752 | 653.51160935951 | 1 | 3.66446666666667 | 0.0886499999999999 | 0 | 2.66453525910038E-15 | Infinity | D0_MA_M_T2 | Blank | 100 - 4.63 | 227.892401087993 | 2.38 | 0 | 0 | 0 | 189.317696082971 | 183.313432539582 | 200.198825096289 | 170.44845874591 | 133.206452746432 | 203.158654942376 | 237.450471758198 | 245.922162225058 | 135.198644073264 | 159.066239186975 | 231.730114978956 | 224.05468719703 | 213.871513957915 | 241.495601559669 | 144.782260721989 | 150.802367806033 | 169.779457706792 | 160.19352322836 | 220.544963762473 | 116.790532144657 | 129.097743137139 | 195.896646683822 | 153.828814945109 | 225.516968583592 | 202.843686916182 | 138.664168723518 | 92.3865430749165 | 362.401891165984 | 186.424727529359 | 179.419745665024 | 128.023827580864 | 195.684941485773 | 0 | 0 | 0 | 191.630070534881 | 184.171025719657 | 203.856962492709 | 170.44845874591 | 126.030762820743 | 124.664283076124 | 89.9733880160895 | 98.0326485834869 | 123.876523044183 | 254.602416365299 | 213.902654501251 | 199.103053430467 | 332.286871753214 | 109.665864524593 | 88.5794840207611 | 223.454639004025 | 84.2101792487756 | 215.116129799143 | 368.274548377439 | 93.6284192607254 | 112.385062767497 | 216.110669905395 | 197.765348670252 | 177.044231987994 | 187.211034368749 | 146.668068324274 | 81.5236176470951 | 268.520481090782 | 140.146509250437 | 189.562689330722 | 118.746053656753 | 150.084760771353 | M-H2O-H, M+FA-H | |||||||||||
| 13.74_750.5301n | 750.530106622043 | 731.512265502043 | 1 | 13.7444 | 0.1637 | 13 | 0.882047450448392 | 2.41843399061817 | D20_MA_VO_M_T2 | D20_VO_MA_M_T1 | 100 - 22.3 - 0.309 | 958.716783273568 | 10.31 | 797.916357315348 | 108.706376696045 | 562.468750790137 | 517.644546935526 | 522.871970255316 | 506.670711598869 | 516.919829466815 | 690.920866410718 | 551.489312490302 | 711.875161071821 | 638.345119655058 | 965.842618206778 | 267.56460048167 | 679.619355654246 | 1109.56106783193 | 297.586052303535 | 1093.37028047645 | 1141.95460609115 | 270.181802647922 | 836.856182570898 | 401.526556882602 | 286.189599659302 | 749.733632069168 | 862.348299868146 | 745.193155435496 | 382.055313788583 | 841.632880467147 | 800.678740723969 | 438.338836746718 | 743.326349544623 | 1174.10721700251 | 308.235903271733 | 484.605073155754 | 641.450411550265 | 793.964943064779 | 31.8753052949972 | 5.41638183593409 | 19.2560119628827 | 523.967188982574 | 525.318116342547 | 515.92886322328 | 516.919829466815 | 653.701694228502 | 338.410489010419 | 269.739704502903 | 254.465324409675 | 884.958766942297 | 428.265571403709 | 627.334881519712 | 985.995871528612 | 462.352075633542 | 496.511722282116 | 698.661212211082 | 400.347673942378 | 415.078538308478 | 539.190581413402 | 477.890511607244 | 601.045080865744 | 750.710782799468 | 822.0875382824 | 491.177822371465 | 660.731863655382 | 738.972444875452 | 463.640398590198 | 655.925106518459 | 869.950854139658 | 231.719184690163 | 512.000730968731 | 594.965065702185 | 608.948433313057 | M-H2O-H, M+Na-2H | |||||||||||
| 13.83_738.5979n | 738.597885417873 | 783.531079169549 | 1 | 13.8319666666667 | 0.14085 | 0 | 0.133517508066313 | 2.63475880612068 | D6_MA_VO_M_T1 | Blank | 100 - 17.5 - 0.13 | 682.890865841496 | 6.14 | 327.129902347465 | 302.76382577881 | 147.662301960926 | 409.999015176722 | 464.98905502466 | 422.897563325832 | 471.237429523534 | 554.22807647356 | 536.49233148077 | 614.796577407014 | 628.708269489412 | 747.27888013702 | 297.033398880484 | 562.166379162939 | 662.970928957291 | 265.406227890307 | 948.127264507414 | 874.891987448124 | 464.702761852735 | 648.873801277066 | 716.907930405926 | 394.82130405852 | 619.14696575304 | 657.350180846864 | 426.478978735136 | 317.210880383423 | 599.131028560424 | 460.81414652233 | 352.395393090244 | 436.372131817859 | 564.056449248742 | 259.004725172298 | 282.528246655998 | 457.086029568596 | 500.974606570967 | 13.0682438238662 | 15.085448861124 | 5.05519115334335 | 415.006847342541 | 467.164408117308 | 430.624968271955 | 471.237429523534 | 524.372399493289 | 329.207888774707 | 232.95523736139 | 250.62375951291 | 684.698504561637 | 475.433514256124 | 518.917797046919 | 589.139811991308 | 412.355079820704 | 430.555237735262 | 535.269172035266 | 688.583272296752 | 321.839755253207 | 962.700965078306 | 659.287951814403 | 496.356602106498 | 572.251222519224 | 470.486143357913 | 407.812543985406 | 470.353488155988 | 425.300359768384 | 372.736173062661 | 385.062950102153 | 417.935758081517 | 194.709192247847 | 298.500112401201 | 423.961407954479 | 384.233213904162 | M-H, M+FA-H | |||||||||||
| 6.33_839.4926n | 839.492610549791 | 820.474769429791 | 1 | 6.33463333333333 | 0.187616666666667 | 0 | 4.32986979603811E-15 | Infinity | D0_MA_M_T2 | Blank | 100 - 15.3 - 6.48 | 826.895801251044 | 3.92 | 0 | 0 | 0 | 670.256139148335 | 594.940124341202 | 629.442738119189 | 504.18780487377 | 597.184295960551 | 533.45878934753 | 395.520282784561 | 545.309983956767 | 886.545124539132 | 372.892202324604 | 781.032398453563 | 872.759204048525 | 386.849178933124 | 731.228513354869 | 995.662903108261 | 318.351738949746 | 575.923060513619 | 394.533468434486 | 327.940228931269 | 1131.99323474933 | 660.490265136414 | 559.743267388678 | 376.204503552248 | 725.367900559336 | 771.161743900881 | 458.439090991301 | 762.249182645602 | 864.429245089727 | 457.376333122851 | 528.40752604413 | 645.246457172313 | 682.076686171464 | 0 | 0 | 0 | 678.442817966375 | 597.723426067212 | 640.944244274938 | 504.18780487377 | 565.014613126484 | 327.346415753394 | 149.868305620581 | 217.378464562205 | 812.301989435393 | 596.853589051196 | 720.946016428927 | 775.565218516475 | 601.037983643217 | 332.05907918899 | 609.158233723781 | 471.724508960087 | 285.656373358855 | 529.799901366012 | 547.607334323573 | 907.494256915786 | 574.984799120958 | 617.501598614102 | 483.655905708419 | 569.456940069097 | 711.7302487257 | 484.900869049282 | 672.622969206893 | 640.495986413392 | 343.836879100914 | 558.279420853317 | 598.486015244445 | 523.133336139738 | M-H2O-H, M+Na-2H | |||||||||||
| 15.98_958.9774n | 958.97744446808 | 957.97016803608 | 1 | 15.9827333333333 | 0.424950000000001 | 3 | 0.00173231677314023 | 147.6303978728 | D6_MA_VO_M_T1 | Blank | 100 - 62.5 - 23.6 - 3.98 - 0.0583 | 7311.15970784514 | 14.8 | 0 | 0 | 148.570209384883 | 3636.25153284955 | 3535.09070356522 | 3872.69229095534 | 3412.20588498173 | 3760.55028865608 | 3806.96190672572 | 4959.38083164582 | 4839.38316399955 | 208.094750705428 | 5221.35145774007 | 2132.3914726371 | 166.820098730992 | 3075.83609010853 | 1084.97401437694 | 650.96004298489 | 5747.03127189308 | 3780.69544079841 | 10841.6239748919 | 8668.35462484583 | 1016.32822878587 | 261.299710384652 | 2638.88113883234 | 2222.93459877514 | 1645.29477643974 | 143.206310504492 | 4071.76243127989 | 82.1539569880748 | 1249.73084838746 | 2866.9625516997 | 2234.75456000458 | 164.70455874991 | 1224.64455069394 | 0 | 0 | 5.0862731933542 | 3680.6656331648 | 3551.62887884417 | 3943.45614527645 | 3412.20588498173 | 3557.9734444793 | 2336.06674022671 | 1879.18049848987 | 1929.13702768701 | 190.667993439087 | 8357.32776878243 | 1968.34233856195 | 148.242339611062 | 4778.8503176207 | 492.698883561101 | 398.264983832902 | 8515.78670075987 | 1875.21532377899 | 14558.692156934 | 14474.7553069437 | 814.768147416365 | 227.472484329278 | 2911.17985104778 | 2857.84842166796 | 1291.65424632187 | 132.169760495215 | 4306.79054270984 | 72.4941918463244 | 925.983933371072 | 2155.26555461461 | 2361.08953793454 | 152.76856457424 | 939.267390864641 | M-H, M+Na-2H | |||||||||||
| 13.76_812.8161n | 812.816149159795 | 847.790930344226 | 1 | 13.7596333333333 | 0.121833333333333 | 0 | 0.762226179853815 | 18.4632674310264 | D0_MA_M_T1 | D20_VO_MA_M_T2 | 100 - 29.9 | 430.754350671844 | 8.16 | 100.629877366975 | 85.8796545516777 | 0 | 174.573031048286 | 219.390140672583 | 170.436830246472 | 168.536406762877 | 199.901402601884 | 192.413424891576 | 108.979277536006 | 131.61808130134 | 6.07510415325197 | 855.433597190436 | 109.741477683468 | 0.281757552512338 | 663.034728388986 | 10.7149698538208 | 3.34173727844533 | 424.080472515033 | 70.2506293272104 | 570.559703388649 | 803.043208639658 | 2.74167023902532 | 0.00503940960648111 | 242.188222480939 | 307.988154705653 | 80.9712641383678 | 15.6316974210819 | 553.369139212479 | 3.20356068717991 | 102.042866595295 | 269.843359803304 | 240.414398359274 | 0 | 46.6606847656864 | 4.0199803318517 | 4.27902221679813 | 0 | 176.70531041435 | 220.416511112599 | 173.551140943111 | 168.536406762877 | 189.132926666924 | 118.070685569039 | 41.2938106665257 | 52.4672888149012 | 5.56634857394219 | 1369.21236082495 | 101.298846667017 | 0.250379894900254 | 1030.14062828148 | 4.86578813355272 | 2.04451403356677 | 628.39032485478 | 34.8441334887537 | 766.17701351976 | 1340.95274697749 | 2.19793716066102 | 0.00438701987480817 | 267.178943027181 | 395.955626541135 | 63.5672577656195 | 14.4270018339259 | 585.310419163787 | 2.82688200985224 | 75.608324067772 | 202.857235850793 | 254.005487176965 | 0 | 35.7874124463212 | M+Na-2H, M+Cl | |||||||||||
| 13.74_774.5461n | 774.546093653666 | 755.528252533666 | 1 | 13.7444 | 0.0875500000000002 | 0 | 6.28876363845898E-4 | 19.0022247683327 | D20_MA_VO_M_T2 | Blank | 100 - 14.3 - 0.638 | 426.930533778678 | 13.9 | 0 | 67.402191951254 | 0 | 227.921153044504 | 223.305201283598 | 242.233565095007 | 327.867598685913 | 272.481770082462 | 195.008660856263 | 211.126347308861 | 156.603927952201 | 419.582144833058 | 140.333541473262 | 358.183659766121 | 450.027859292978 | 131.956123636671 | 452.004126862754 | 544.402493982576 | 144.120748800575 | 398.543010255172 | 189.154961062073 | 127.919439274628 | 310.916221457798 | 310.431160737555 | 378.109152168176 | 187.956801200864 | 367.516785658414 | 317.797955251473 | 207.580882679995 | 330.540397824954 | 523.320669732402 | 144.385765919049 | 215.772175555302 | 295.41662370271 | 394.580597648345 | 0 | 3.35836791992165 | 0 | 230.705039930171 | 224.349887507859 | 246.659783194519 | 327.867598685913 | 257.803466950732 | 119.663200694928 | 79.9987998599713 | 62.4274676866332 | 384.444515620838 | 224.618743353794 | 330.627875578036 | 399.910941542651 | 205.0169595776 | 205.260149754074 | 333.07182645248 | 213.5540069082 | 197.676319533868 | 254.007043081109 | 213.604849205696 | 249.254745252422 | 270.243496413538 | 417.12517062281 | 241.640958735189 | 288.522533218922 | 293.306066495853 | 219.562756290904 | 291.675043922241 | 387.752717153826 | 108.543331923705 | 227.970192073331 | 274.008041410427 | 302.632047992181 | M-H2O-H, M-H | |||||||||||
| 2.91_809.6106n | 809.610599367301 | 808.581445209566 | 1 | 2.90766666666667 | 0.214333333333333 | 0 | 1.11022302462516E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 41.6 - 17.6 | 12535.0031695728 | 0.06 | 0 | 0 | 0 | 8610.02391667225 | 8777.90561983873 | 7973.13923749038 | 7572.20978599078 | 6868.17762328055 | 10796.3570974888 | 15146.8445876459 | 14095.3652908197 | 9815.88329295564 | 4046.26654904796 | 10233.8565336702 | 12689.3063047543 | 5748.01032459379 | 19321.9960145517 | 18640.8501306652 | 6087.48215189333 | 13785.6864715706 | 5723.99657664964 | 4709.41872004157 | 11590.0718671953 | 9869.12211103767 | 6977.22372254398 | 8227.12411048674 | 7965.77451246751 | 10806.7177567139 | 5697.5226614452 | 9756.89736552466 | 10394.6143298871 | 7552.49209971245 | 7545.76851511692 | 8185.74206075172 | 13364.0109736234 | 0 | 0 | 0 | 8715.18893688528 | 8818.9711974706 | 8118.82859804231 | 7572.20978599078 | 6498.19619998545 | 6624.9706062192 | 5739.3565707103 | 5618.87541858157 | 8993.85863869985 | 6476.47952143225 | 9446.54551496602 | 11276.1739680514 | 8930.54121242296 | 8774.3353650812 | 11404.6905888097 | 9020.25708538213 | 6837.66543089825 | 7686.47799073081 | 7863.97033355732 | 9291.50752305517 | 8591.48952535008 | 7697.1837868796 | 10576.9524964775 | 6253.60672239878 | 9973.87121148873 | 6026.39204259127 | 8609.66915499778 | 7701.85506381932 | 5677.65563047165 | 7972.34533741452 | 7592.52854983109 | 10249.8147005749 | M-H2O-H, M-H | |||||||||||
| 2.90_758.5911n | 758.591068809018 | 739.573227689018 | 1 | 2.89615 | 0.252383333333333 | 0 | 2.22044604925031E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 41.3 - 10.9 - 1.56 - 0.508 | 13955.5501191944 | 0.32 | 0 | 0 | 0 | 7997.3540642505 | 8981.43647340384 | 7939.57259317567 | 9175.99126964438 | 8732.81078541793 | 14195.7217051679 | 20139.3530704172 | 21254.8634623101 | 9998.13604763681 | 4914.60461726224 | 10418.9955511314 | 14543.4019405899 | 6298.68816141174 | 21612.4120769772 | 19346.206383976 | 7295.66711583313 | 18193.3843790724 | 7040.56555231915 | 5980.44746644169 | 12660.0166184199 | 9725.13003538285 | 7739.45624268944 | 8885.15919736286 | 8845.24080931923 | 12653.1760524461 | 6930.2271098346 | 10717.7504064063 | 11818.3266947228 | 9763.3104661482 | 7892.95903020284 | 9169.38767173296 | 17414.3637223238 | 0 | 0 | 0 | 8095.03577918617 | 9023.45422715032 | 8084.64860648752 | 9175.99126964438 | 8262.3835569776 | 8710.9233403071 | 7631.08961115429 | 8472.8864679701 | 9160.84875698013 | 7866.34685921133 | 9617.44141811745 | 12923.790034759 | 9786.11572234143 | 9814.43901908021 | 11836.2358116672 | 10810.5110375914 | 9023.87238360387 | 9454.43475297716 | 9986.38351212065 | 10149.2588656845 | 8466.13831418833 | 8538.06893392442 | 11422.9353407174 | 6944.04006789545 | 11678.0276124992 | 7330.25000333458 | 9457.5438920833 | 8756.75002562704 | 7339.65873890549 | 8339.16320077658 | 8504.89023052705 | 13356.3195686181 | M-H2O-H, M-H | |||||||||||
| 15.52_942.9451n | 942.945063020485 | 941.937786588485 | 1 | 15.5239833333333 | 1.30625 | 0 | 0.599676492747963 | 16.2179684803471 | D6_MA_VO_M_T1 | Blank | 100 - 52.9 - 3.25 | 5005.33893372171 | 9.41 | 95.3085642588352 | 186.874393503074 | 643.704696993462 | 2544.14986843336 | 2733.61990893199 | 2788.04594982327 | 2294.77213719257 | 2745.53645626034 | 2127.97512022941 | 2702.44668886994 | 2460.86886783813 | 17.1352686011754 | 7484.9881799291 | 1625.03295173275 | 25.2974220307608 | 5111.71004289105 | 326.169288780057 | 38.9427862860075 | 5296.88600891828 | 2053.66122146134 | 7957.01664598209 | 7763.75383925118 | 110.328803473641 | 47.7247658622939 | 2503.36429126031 | 2849.53576884999 | 974.76613502364 | 33.7594759500703 | 5078.95341912703 | 12.2874299974432 | 737.059893943115 | 3547.26928103164 | 2771.76613671933 | 24.525708526853 | 937.249143940154 | 3.80740356445354 | 9.31116555748544 | 22.0371093122197 | 2575.22476147991 | 2746.40857236129 | 2838.99058022797 | 2294.77213719257 | 2597.63732762502 | 1305.78976732482 | 1023.99579470238 | 980.98313201248 | 15.7002868652403 | 11980.5188506128 | 1500.01592179421 | 22.4801990677141 | 7941.93723150992 | 148.117136728052 | 23.8256530761673 | 7848.77431427809 | 1018.61074308638 | 10685.0925751285 | 12964.2177725862 | 88.4481924902066 | 41.546433552292 | 2761.67940166271 | 3663.4192044973 | 765.249386008825 | 31.1577180855086 | 5372.11807455191 | 10.8426585911404 | 546.122087491202 | 2666.69241627081 | 2928.45941300857 | 22.7483520507934 | 718.843322758388 | M-H, M+FA-H | |||||||||||
| 2.90_422.3712n | 422.371207571475 | 457.2951865461 | 1 | 2.89615 | 0.320916666666667 | 0 | 0 | Infinity | QC | Blank | 100 - 19.4 | 2812.25687288542 | 3.29 | 0 | 0 | 0 | 2517.76525354574 | 2560.8169174988 | 2349.17879779745 | 2486.60403583938 | 2344.15497373144 | 2920.08172597138 | 3745.0844894625 | 3574.36878923664 | 2249.522382013 | 1715.91939134494 | 2465.39493999625 | 2353.31702666743 | 1752.6726122675 | 3766.16801758389 | 3464.67611104571 | 1859.39340184377 | 3541.6675833783 | 1807.09956787646 | 1674.45053994132 | 2793.80585054116 | 2422.56956601707 | 2126.53416794705 | 2013.15992145885 | 2668.27346971534 | 2366.50352110166 | 2144.78782143133 | 2369.51345660675 | 2890.92375040021 | 2498.51822294887 | 2163.60214616877 | 2223.51175458592 | 3030.15881361355 | 0 | 0 | 0 | 2548.51787820083 | 2572.79715862703 | 2392.10421859833 | 2486.60403583938 | 2217.8778386344 | 1791.85029057792 | 1419.06620537938 | 1424.86076184684 | 2061.13761793965 | 2746.51129967915 | 2275.72718421617 | 2091.24214967819 | 2723.08400852534 | 1710.25918867993 | 2119.72945224826 | 2755.19600534312 | 1756.65811438113 | 2426.66655535838 | 2796.06256183382 | 2239.73314192577 | 2108.9495921415 | 2345.96523927993 | 2588.15797247319 | 2094.75335779262 | 2184.12304941882 | 2268.58812648266 | 2090.90309710379 | 2142.02037896842 | 1878.28413046626 | 2285.9147411523 | 2062.37581788991 | 2324.045259627 | M-H, M+Cl | |||||||||||
| 2.90_760.5563n | 760.556308474552 | 759.549032042552 | 1 | 2.89615 | 0.210516666666666 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 51.1 - 9.25 | 2479.84167626564 | 0.29 | 0 | 0 | 0 | 2193.19219155982 | 2292.48851854693 | 2032.97221662452 | 2071.1716023569 | 1785.03686713768 | 2422.48859690486 | 2871.42621714536 | 2973.06054154719 | 1788.76272693116 | 1376.93669201511 | 2176.75395950805 | 2289.35154212551 | 1647.46108793162 | 3312.22226459966 | 3167.99261679926 | 1671.4054751512 | 2930.51160391143 | 1554.74143911072 | 1505.27007374326 | 2363.75688347549 | 1960.07056522133 | 1917.66668980707 | 2170.22491774454 | 1932.53170617198 | 1949.84189749028 | 1703.82066659275 | 1979.86909551025 | 2359.71418953373 | 1863.31528449418 | 1855.62711775052 | 1798.42781788114 | 2898.9069130637 | 0 | 0 | 0 | 2219.98039835096 | 2303.21344192908 | 2070.1197457768 | 2071.1716023569 | 1688.87882974225 | 1486.51212658841 | 1088.02456058238 | 1185.15955068823 | 1638.96397543149 | 2203.93347300433 | 2009.29193073228 | 2034.40011952126 | 2559.61947018184 | 1504.11732470075 | 1938.21501320873 | 2476.64086786522 | 1453.52630282389 | 2087.78703707691 | 2513.5584469338 | 1894.97227602618 | 1706.32458901408 | 2115.54531435322 | 2790.08381949617 | 1517.15231834026 | 1799.57248871894 | 1802.16769941774 | 1747.07360792571 | 1748.42241405449 | 1400.7644598205 | 1960.52929142222 | 1668.09733934116 | 2223.3788008528 | M-H, M+Na-2H | |||||||||||
| 2.90_410.3012n | 410.301241599029 | 445.27064289903 | 1 | 2.90376666666667 | 0.2486 | 0 | 0.967721884087891 | 1.65263122716922 | QC | D0_MA_M_T1 | 100 - 32 - 19.2 - 1.7 | 5912.92931986491 | 10.1 | 4381.45128136501 | 7384.63606533357 | 2194.57312186605 | 4480.87019855948 | 4841.52302686606 | 4286.33188834348 | 4986.23661288646 | 4562.12911905973 | 6487.06906072346 | 8684.25629951502 | 8975.01835296556 | 4758.35855926494 | 2397.41730005138 | 4822.31310961248 | 5711.76769581004 | 2835.24279396738 | 8574.03669149264 | 8003.74227552474 | 3218.22316728715 | 7677.61730474353 | 3111.28565176204 | 2623.58108418674 | 5980.35057227006 | 4955.51096087069 | 4168.40870230383 | 3923.50531406824 | 5099.51504394192 | 5329.66452698103 | 3570.38931517536 | 5263.94368466346 | 6074.0279694522 | 4660.07971048192 | 3878.76140426656 | 4901.87666582208 | 6684.35996451241 | 175.030999111942 | 367.945376020539 | 75.1307983398365 | 4535.60068590354 | 4864.17306986344 | 4364.65398122626 | 4986.23661288646 | 4316.3720758807 | 3980.66138973888 | 3290.58921585596 | 3577.73700534326 | 4359.87296884315 | 3837.3211106825 | 4451.32293261047 | 5075.68220485929 | 4405.04647502357 | 3893.56634309466 | 4896.7833315056 | 4768.67111931231 | 3808.07865785808 | 4177.9949314965 | 4380.95761711002 | 4794.3164606279 | 4313.98254414764 | 4598.53505582622 | 5044.13556538917 | 4003.42258117602 | 4918.92069259637 | 3776.47743352159 | 4645.00259433193 | 4500.53090856846 | 3503.25792564175 | 4098.03525436783 | 4546.64198514792 | 5126.71316743294 | M+Cl, M+FA-H | |||||||||||
| 2.89_1036.7955n | 1036.79550668561 | 1071.79563336445 | 1 | 2.89235 | 0.118116666666666 | 0 | 7.43294314986542E-13 | Infinity | D0_VO_M_T2 | Blank | 100 - 32.8 - 0.759 | 864.258732016187 | 15.69 | 0 | 0 | 0 | 377.592816057924 | 392.062660031303 | 350.788962189774 | 402.633810022594 | 271.350257088938 | 500.803958196554 | 339.27268178637 | 495.353147507844 | 822.752470524473 | 241.468255974304 | 608.085721403259 | 1019.95185587367 | 351.647977467424 | 1065.79804843697 | 1332.49003718067 | 396.027426851708 | 624.467749382481 | 335.852475549627 | 317.902190478268 | 761.849416387027 | 702.31242396303 | 373.30514745147 | 528.028481946239 | 399.551589626107 | 917.091575991376 | 270.750448032648 | 749.964505377875 | 600.15617632177 | 294.848765649878 | 376.280913992078 | 542.416170019017 | 868.929034756035 | 0 | 0 | 0 | 382.204830672208 | 393.896842386338 | 357.198761149485 | 402.633810022594 | 256.732907358646 | 307.308425663516 | 128.555283194844 | 197.464029248083 | 753.851609039461 | 386.495599322665 | 561.304472594238 | 906.365902883065 | 546.346749170104 | 483.990862092723 | 815.233022109745 | 586.822123487249 | 309.734415581624 | 451.000035879769 | 530.845427749929 | 610.758040580491 | 611.392762812535 | 411.825454190034 | 678.84379709474 | 313.671759465477 | 846.413635851317 | 286.378561790239 | 661.782739676062 | 444.683731304581 | 221.655280446223 | 397.552798527154 | 503.107748350089 | 666.443750441186 | M+Na-2H, M+Cl | |||||||||||
| 16.58_612.6815n | 612.681471114406 | 647.672107345592 | 1 | 16.58185 | 0.183699999999998 | 0 | 0.00562969046301343 | 36.3342844095031 | Blank | D6_MA_VO_M_T1 | 100 - 17.1 | 4032.59158880747 | 6.79 | 503.359186503952 | 2498.39437994643 | 9096.02119997202 | 229.751915164598 | 238.772298049714 | 206.219149000664 | 248.234584685845 | 153.815389748327 | 186.967029276421 | 153.9893429909 | 173.377758982421 | 422.681384696417 | 81.1218238810693 | 312.060715665797 | 928.846573067554 | 414.821816468397 | 1485.00205064127 | 646.204439577297 | 160.728420110847 | 206.201415985365 | 15.7702922425121 | 95.5441646565646 | 210.882411546883 | 926.798210373488 | 579.564456928162 | 479.929958715722 | 833.961706519327 | 661.474044623053 | 162.692351957556 | 727.691379593683 | 898.494973448752 | 391.302139396626 | 302.798889473751 | 738.062779117619 | 812.453809162438 | 20.1082827739472 | 124.484490697168 | 311.400576112445 | 232.558163444057 | 239.889343819691 | 209.987292896885 | 248.234584685845 | 145.529518306843 | 114.728612818533 | 58.3487697652242 | 69.1140674949074 | 387.284211691642 | 129.844098192344 | 288.053261668367 | 825.406471874187 | 644.498377452892 | 674.356106912907 | 395.355449930397 | 238.162779643834 | 102.275377928624 | 21.1771622512768 | 159.543357910869 | 169.059824289256 | 806.817164378951 | 639.368080875094 | 617.007390043163 | 654.709535896331 | 610.495904430747 | 172.083193606602 | 642.128515913584 | 665.736875025322 | 294.164994233551 | 319.916693685236 | 684.576020161523 | 623.128865512549 | x | x | M+Na-2H, M+Cl | |||||||||
| 15.47_888.8970n | 888.897030845137 | 887.889754413137 | 1 | 15.4744833333333 | 0.19415 | 0 | 0.00199562634207262 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 55.7 - 15.8 - 0.653 | 3134.89209025514 | 15.1 | 0 | 0 | 0 | 1095.072519017 | 1090.08568251632 | 1109.19079827575 | 986.977666673636 | 1183.59594584838 | 1115.80708961938 | 1571.64399025634 | 1255.15764854384 | 22.1700635961716 | 1917.2354953054 | 638.366487580753 | 14.4912792349002 | 1283.62964347529 | 280.527004735583 | 198.65739376237 | 2219.5738566736 | 1250.98642859902 | 5018.79775191127 | 2526.52089418882 | 268.109541805164 | 47.0130438905632 | 985.99394913557 | 877.139021390273 | 542.110720627152 | 10.3619215328411 | 1583.26274493849 | 0 | 439.316958277567 | 1113.29296721315 | 792.688055690656 | 20.4009113688132 | 408.784024791589 | 0 | 0 | 0 | 1108.44801305879 | 1095.1854181662 | 1129.45851132045 | 986.977666673636 | 1119.83689116596 | 684.69291115415 | 595.518440167542 | 500.347051128996 | 20.3134462833364 | 3068.73911359843 | 589.255678963275 | 12.8774719238294 | 1994.34357024298 | 127.390463006926 | 121.540921854851 | 3288.90111011857 | 620.486087145125 | 6739.50061699286 | 4218.88274118854 | 214.937564946126 | 40.9268493789189 | 1087.73588766056 | 1127.66716989551 | 425.589155391276 | 9.56335431337618 | 1674.65099735265 | 0 | 325.510445346992 | 836.928261587043 | 837.500237669519 | 18.9224753065409 | 313.525670918614 | M-H, M+Na-2H | |||||||||||
| 14.11_1540.9736n | 1540.97364432002 | 1539.96636788802 | 1 | 14.11485 | 0.167716666666667 | 0 | 1.11022302462516E-16 | Infinity | D0_VO_M_T2 | Blank | 100 - 92.2 - 41.1 - 5.36 | 3696.70534014437 | 4 | 0 | 0 | 0 | 1322.42787476981 | 1426.60524895534 | 1481.49997189179 | 1364.11347258504 | 1438.27450785696 | 1491.7438330587 | 1748.38353857882 | 1599.03899261481 | 117.765000865315 | 45.1914260795624 | 13.7413737866024 | 33.9994054908256 | 2238.71438780462 | 4484.47840432438 | 4839.34802888792 | 2554.06265140082 | 44.8341207317389 | 22.8804525915284 | 43.4903556481527 | 200.083773665764 | 2986.04544638847 | 2361.58183061666 | 2707.64761483842 | 4083.53187908406 | 89.0070902791888 | 94.1915337666041 | 256.435726812257 | 165.092010510574 | 2573.90035379051 | 2235.18196728865 | 2358.13290976564 | 3931.80341995806 | 0 | 0 | 0 | 1338.58034490537 | 1433.27932032706 | 1508.57071242868 | 1364.11347258504 | 1360.79618992554 | 915.379044689192 | 662.4875888968 | 637.429446032774 | 107.902848756272 | 72.3336789607866 | 12.6842224616126 | 30.2130945472749 | 3478.23507163695 | 2036.45200151022 | 2960.76984333672 | 3784.53704716699 | 22.2376098632687 | 30.7250524887076 | 72.6218854054053 | 160.402792110261 | 2599.47925319251 | 2605.2668082405 | 3481.00500426901 | 3205.81537554211 | 82.1475377944841 | 99.6284075202865 | 226.283692926414 | 122.324378451546 | 1934.95334295392 | 2361.54110737528 | 2187.24109663036 | 3015.5809190218 | x | x | M-H, M+Na-2H | |||||||||
| 2.91_802.5968n | 802.596797064289 | 783.578955944289 | 1 | 2.91148333333333 | 0.240966666666667 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 37.6 - 26 - 3.24 - 0.441 | 2040.88335270557 | 2.3 | 0 | 0 | 0 | 1752.21176544393 | 1894.50891892973 | 1681.03040070025 | 1967.1924887184 | 1566.88725972416 | 2005.97105260014 | 2522.95637021561 | 2651.36096236119 | 1449.53979252359 | 1253.45364563427 | 1810.75868572694 | 1752.70285178744 | 1440.57926451383 | 2641.1874408973 | 2412.09312047041 | 1545.83995753831 | 2437.33801971855 | 1385.45668749405 | 1382.94102357096 | 1706.39726400502 | 1470.29325298867 | 1690.85633441393 | 1807.43369723128 | 1725.55302330163 | 1573.18331467806 | 1483.7509985748 | 1443.87216596281 | 2056.05325544505 | 1678.21982158083 | 1410.81218701033 | 1374.28780893274 | 2428.33974848572 | 0 | 0 | 0 | 1773.61372524262 | 1903.3719788046 | 1711.74706534781 | 1967.1924887184 | 1482.48070964737 | 1230.924388699 | 955.984339657294 | 1056.91953559379 | 1328.14904130772 | 2006.2857373855 | 1671.45340420412 | 1557.51479209309 | 2238.19230742455 | 1199.39287592339 | 1475.74684188397 | 2290.58147226188 | 1208.9134592762 | 1860.46273664389 | 2309.28864663056 | 1367.9814238857 | 1279.95265841501 | 1865.33103720633 | 2323.67229415929 | 1354.66174312182 | 1451.94203512104 | 1569.39528674554 | 1274.09986856835 | 1523.42585057734 | 1261.61723751162 | 1490.5681162292 | 1274.69438293643 | 1862.46722642961 | M-H2O-H, M-H | |||||||||||
| 2.90_824.5068n | 824.506772504924 | 859.476173804924 | 1 | 2.90376666666667 | 0.1791 | 0 | 0 | Infinity | D0_MA_M_T2 | Blank | 100 - 55.7 - 61.6 - 26.6 - 19.5 - 2.69 - 0.352 | 5113.89395912874 | 0.96 | 0 | 0 | 0 | 4778.69499300529 | 5017.78512861743 | 4834.31629322272 | 4285.47723470796 | 3970.31039481511 | 4661.0799732435 | 6352.66140137616 | 5250.80574753852 | 4494.31485812831 | 1741.29669951092 | 4903.92659105589 | 5323.86132720159 | 2400.23634351794 | 6816.13937282618 | 7495.5115239643 | 2668.20163898236 | 5586.35324224167 | 2391.00188396584 | 2015.96967848766 | 5864.3092471885 | 4982.43067713283 | 4591.04181347136 | 4012.28555490264 | 4067.33354683235 | 4603.59578880332 | 2642.51822589766 | 4755.41514956061 | 5085.0835178299 | 2905.43319105219 | 3918.3437426647 | 4518.13089841112 | 5558.14354698437 | 0 | 0 | 0 | 4837.06318807594 | 5041.25977663296 | 4922.65144309113 | 4285.47723470796 | 3756.43399682886 | 2860.17936764594 | 2407.11448146921 | 2093.14357832264 | 4117.94143282273 | 2787.13037769929 | 4526.65772595583 | 4730.97465421052 | 3729.18773190567 | 3095.28543051502 | 4585.84180101553 | 3953.66493711579 | 2770.81700124508 | 3210.76071776 | 3366.34448695574 | 4701.28866430919 | 4337.41729930513 | 5064.77848737425 | 5158.27318836902 | 3193.09872139851 | 4248.80824510754 | 2795.04826136359 | 4196.26748120247 | 3767.77579223256 | 2184.18621275549 | 4139.85525856491 | 4190.70593520634 | 4262.93734330416 | M+Cl, M+FA-H | |||||||||||
| 2.91_542.2701n | 542.27010132086 | 523.25226020086 | 1 | 2.90766666666667 | 0.218116666666667 | 0 | 2.77555756156289E-15 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 6.03 | 1198.22619735377 | 1.63 | 0 | 0 | 0 | 888.00044940958 | 990.989556963485 | 873.452296682042 | 965.87500360897 | 924.439055260782 | 1082.93054558521 | 1362.88413049929 | 1375.24463578243 | 991.430175433243 | 430.198343572892 | 990.24833640957 | 1158.37406252849 | 500.136997350098 | 1607.19903908252 | 1550.31578623485 | 610.179081955351 | 1327.4348789355 | 533.614674557447 | 470.364963739152 | 1230.39141882131 | 973.757053083674 | 788.155942081177 | 773.496869614994 | 1027.16088047812 | 1113.5773241218 | 608.963994885304 | 1084.66861638515 | 1169.46492622524 | 759.781016189745 | 742.501160501937 | 1031.04303011777 | 1365.40936458977 | 0 | 0 | 0 | 898.846712569257 | 995.625692318128 | 889.412472816665 | 965.87500360897 | 874.640506624587 | 664.518871346677 | 516.416336368682 | 548.217667233277 | 908.403511112148 | 688.57815680963 | 914.066554503241 | 1029.37285423205 | 777.0504599795 | 729.847131565793 | 948.501368393585 | 904.14592602097 | 658.404324092521 | 716.565322252089 | 785.433689522686 | 986.377932361107 | 847.696829330701 | 869.483533875864 | 994.422782034319 | 806.382377142293 | 1027.75672177843 | 644.114291608717 | 957.131922170548 | 866.511164162143 | 571.1723901915 | 784.476180669157 | 956.324250651335 | 1047.2299824579 | M-H2O-H, M-H | |||||||||||
| 13.40_674.5368n | 674.536788528051 | 673.529512096051 | 1 | 13.397 | 0.251266666666668 | 0 | 0.116094542253259 | 7.89343870175073 | D0_VO_M_T2 | Blank | 100 - 42.7 - 31.1 - 5.7 - 3.07 - 0.0891 | 4190.03471421121 | 13.59 | 439.6931740339 | 0 | 1152.78186980797 | 2513.84566497583 | 2584.13755148682 | 2484.58523805008 | 2435.86701115719 | 2532.09367643878 | 2926.81886868611 | 3397.68504315078 | 3238.21579562009 | 3055.16517799435 | 2067.64525312531 | 3537.20537430437 | 4391.38308829635 | 3233.94564369268 | 4906.5448587219 | 5810.9327469383 | 2569.13668148411 | 4015.50840129877 | 2085.14418759192 | 1723.65223093404 | 3567.78205065174 | 1866.00562503281 | 2746.27992785254 | 1820.53349576301 | 2483.86936676666 | 717.711064728079 | 994.596399908418 | 1308.11544438802 | 2418.35226185756 | 1584.33245261291 | 1948.0305691618 | 1813.98826514184 | 3348.70175582407 | 17.564941525466 | 0 | 39.4652706384731 | 2544.55041478004 | 2596.22689327607 | 2529.98487598268 | 2435.86701115719 | 2395.69248332609 | 1795.9844047103 | 1287.43157459453 | 1290.85914119038 | 2799.31239081447 | 3309.48591179774 | 3265.08110155862 | 3902.34095345588 | 5024.50121325663 | 2228.11711801503 | 3555.19676123529 | 3806.87331416069 | 1991.68195502374 | 2800.03921924194 | 2878.22145687559 | 2860.21296020436 | 1624.43706758717 | 3029.66081861455 | 2340.5136526854 | 1949.98517033854 | 662.398878902062 | 1052.00596577841 | 1154.30559232065 | 1791.87009955076 | 1191.03654149591 | 2058.15648784946 | 1682.53013470634 | 2568.35859776163 | x | x | M-H, M+Cl | |||||||||
| 6.01_592.3847n | 592.384739866029 | 591.330591473365 | 1 | 6.00596666666667 | 0.336166666666667 | 2 | 0 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 28.4 - 6.94 - 0.432 | 15620.8559089033 | 8.27 | 0 | 0 | 0 | 9485.70119930226 | 9765.92100704883 | 9264.28495760486 | 10532.8648537076 | 10939.0683506407 | 15430.3013283764 | 20818.4782031225 | 20492.8455195586 | 12779.3075089896 | 5626.42344498959 | 10881.8455731767 | 12233.8512305167 | 6610.83239668382 | 21110.2337607598 | 16606.4137772672 | 7344.62053636996 | 17599.5080546117 | 13642.203763195 | 5684.20199076252 | 14787.1574727207 | 13878.8306210317 | 8909.72322807451 | 8222.48385630401 | 14960.8030066216 | 15045.0211331107 | 8825.77619659081 | 11586.4380784086 | 15600.6709723045 | 11540.4467032651 | 9551.80117817039 | 12511.6967768491 | 14163.5485405108 | 0 | 0 | 0 | 9601.56196438419 | 9811.60880601026 | 9433.56680647786 | 10532.8648537076 | 10349.7923738265 | 9468.49866325525 | 7888.41986038033 | 8169.12109554425 | 11709.1128537369 | 9005.68852265928 | 10044.6834637205 | 10871.4402081129 | 10271.0864861186 | 9586.394206513 | 10159.9985833222 | 10883.0488171582 | 8729.31123698499 | 18319.4552209604 | 9491.70130807765 | 11854.5412381153 | 12082.1109074478 | 9829.09247343364 | 10570.9868944757 | 11745.1200894853 | 13885.5392112509 | 9335.21296909332 | 10224.0901797784 | 11559.2654920875 | 8675.63730459853 | 10091.7828891969 | 11604.9851412411 | 10863.0371771891 | M-H2O-H, M-H | |||||||||||
| 15.74_1405.0316n | 1405.03157095596 | 1404.02429452396 | 1 | 15.7381333333333 | 0.175116666666668 | 0 | 1.12195232970791E-6 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 75.7 - 16.9 - 0.557 | 3068.35360246081 | 3.32 | 0 | 0 | 0 | 832.922403382049 | 891.594760550313 | 946.34397561827 | 858.905355712948 | 838.458815911933 | 829.783072110357 | 967.712930053512 | 769.781417145645 | 1180.82746190896 | 364.481838207748 | 1951.90029884764 | 2929.11631389984 | 135.898912143649 | 278.114832437622 | 219.75495168773 | 1.40826204499726 | 2172.14190292785 | 767.378157636344 | 627.605284363608 | 2627.38739703236 | 979.892375647231 | 52.2863390698379 | 7.60338476752232 | 472.87244290639 | 2754.10375723505 | 1350.61249130253 | 3140.3090212693 | 2996.39818365232 | 823.448047217422 | 767.472840519345 | 1192.4100214072 | 946.435673723239 | 0 | 0 | 0 | 843.095929290373 | 895.765898341176 | 963.63606654548 | 858.905355712948 | 793.291931317406 | 509.179940291901 | 366.680303050969 | 306.860148228838 | 1081.93984709716 | 583.391907693741 | 1801.73671118754 | 2602.91810560338 | 211.142772383255 | 126.295068479118 | 134.448655066138 | 2.0867224531427 | 1077.37685978021 | 1030.47499072611 | 1047.99968548468 | 2106.31910183437 | 853.037887932103 | 57.6816191321588 | 9.77506093484305 | 371.232989732283 | 2541.85191064824 | 1428.57182917205 | 2771.06755402768 | 2220.17131098622 | 619.034668286894 | 810.859557836817 | 1105.99711833669 | 725.8891287072 | x | x | M-H, M+Na-2H | |||||||||
| 15.69_916.9291n | 916.929103079622 | 915.921826647622 | 1 | 15.69245 | 0.405583333333333 | 0 | 5.44955026215987E-7 | 19752.097073342 | D6_MA_VO_M_T1 | Blank | 100 - 60.5 - 22 - 3.03 | 9643.62935354028 | 11.6 | 0 | 1.46469956851654 | 0 | 4756.7067148035 | 4707.70816267835 | 4946.10938296941 | 4506.38920384574 | 4677.51149264461 | 5351.77591211133 | 7282.42916122335 | 6634.59147417872 | 206.920356136064 | 5634.59974920746 | 2304.77275092223 | 232.271427982546 | 3483.29458611834 | 1271.22330154613 | 1296.09901068894 | 9626.52101109415 | 4590.35921998561 | 14696.899487095 | 9892.9776207361 | 1409.29111409304 | 394.92458179444 | 4289.05859008723 | 2999.01608260574 | 2544.50227333115 | 185.262921138142 | 5153.97067983662 | 123.710343697811 | 1274.64053804897 | 3205.11123562541 | 2613.48473506609 | 318.793061201735 | 1483.99476987575 | 0 | 0.0729798230714292 | 0 | 4814.80633945625 | 4729.73218109405 | 5036.48727450759 | 4506.38920384574 | 4425.53892372592 | 3284.01124459438 | 2759.41681551876 | 2644.7660048139 | 189.591947766202 | 9018.7755662799 | 2127.46198088749 | 206.404744817107 | 5411.90848653146 | 577.276776336725 | 792.968565583454 | 14264.3037287419 | 2276.80649916338 | 19735.7550667265 | 16519.6783605023 | 1129.79791142046 | 343.79860433538 | 4731.63446571538 | 3855.59403454974 | 1997.5856078725 | 170.985173971814 | 5451.46544179566 | 109.164326566834 | 944.44068543219 | 2409.47194819699 | 2761.23005897503 | 295.690409091628 | 1138.18160115777 | x | M-H, M+Na-2H | ||||||||||
| 13.61_790.7484n | 790.748426189012 | 789.741149757012 | 1 | 13.6064 | 0.1304 | 0 | 0.00713534519507808 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 31.3 | 427.885324892577 | 25.96 | 0 | 0 | 0 | 131.489167995867 | 74.6331824920823 | 143.666754518011 | 121.317839707216 | 158.203986898777 | 110.430487476033 | 81.2326691726745 | 95.1216423726065 | 192.402574059949 | 588.124476681002 | 347.047836541717 | 154.123947648112 | 311.299919936437 | 0.366456081478226 | 0 | 268.843892422642 | 207.316816801472 | 648.453832983682 | 587.211570331983 | 94.6500845330789 | 22.694786774721 | 119.807073076092 | 141.466561810583 | 17.8225120728262 | 19.7050834120992 | 398.828878358351 | 0 | 22.2539400936763 | 247.294881209212 | 144.619396546525 | 26.9332102833479 | 91.786048680267 | 0 | 0 | 0 | 133.09521010956 | 74.9823380745501 | 146.291908422245 | 121.317839707216 | 149.681706396688 | 67.7634804918918 | 30.7802229616052 | 37.9186099171654 | 176.289947748157 | 941.355712261165 | 320.348753470953 | 136.960083126988 | 483.65897196136 | 0.166411821689741 | 0 | 398.365196805187 | 102.828613896787 | 870.777270476903 | 980.548692551075 | 75.878905892387 | 19.756774783139 | 132.169627506018 | 181.872193006459 | 13.9917318942706 | 18.1864622162282 | 421.849867339485 | 0 | 16.4889832138942 | 185.906208989978 | 152.795009474197 | 24.9813842773521 | 70.3972776532078 | M-H, M+Na-2H | |||||||||||
| 3.66_572.4997n | 572.499739872253 | 593.503554807277 | 1 | 3.66446666666667 | 0.161133333333333 | 0 | 0.196681497503712 | Infinity | D20_VO_MA_M_T1 | Blank | 100 - 8.69 | 229.459960638738 | 12.32 | 0 | 0 | 0 | 140.267985075109 | 124.149804924003 | 146.837570326744 | 136.639291959346 | 123.117007149424 | 106.707763603679 | 104.061004437909 | 118.830083016558 | 5.08679697981369 | 440.684646835041 | 87.4854515309064 | 4.82853345738187 | 358.4024434335 | 23.6943208636103 | 0 | 262.902704697609 | 109.854301047871 | 286.588700891987 | 409.486729401895 | 0 | 11.5892044014369 | 169.754200877944 | 171.409083480973 | 50.4807022445809 | 0 | 272.082975827073 | 0 | 83.1551019627238 | 278.930632191403 | 179.989289086073 | 0 | 64.1717867835097 | 0 | 0 | 0 | 141.981253891598 | 124.730613567077 | 149.520663031975 | 136.639291959346 | 116.484824926505 | 65.479104752305 | 39.4302064776285 | 47.3695728116113 | 4.66080653108845 | 705.36259933451 | 80.7550210485192 | 4.29080849404628 | 556.840995573917 | 10.7598571777255 | 0 | 389.561714620744 | 54.4874539443185 | 384.846097005839 | 683.776848785595 | 0 | 10.088894138895 | 187.270658747918 | 220.366887516875 | 39.6303533842228 | 0 | 287.788005047253 | 0 | 61.613497413999 | 209.688676726035 | 190.164430137926 | 0 | 49.2179275244518 | M-H2O-H, M+Na-2H | |||||||||||
| 3.68_916.6039n | 916.603870828826 | 915.596594396826 | 1 | 3.6759 | 0.20695 | 0 | 4.44089209850063E-16 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 41.4 - 8.02 - 0.213 | 1853.57860823302 | 2.93 | 0 | 0 | 0 | 1359.10544730963 | 1338.48722652916 | 1181.18546891672 | 1269.75715931284 | 1135.1032391676 | 1428.79030828711 | 1645.67107404707 | 1767.60769067962 | 1472.22668034872 | 787.24690457275 | 914.919845896548 | 2132.95831035025 | 1027.48237803566 | 2070.89153367899 | 1850.45329095172 | 1078.16157981162 | 1195.34247816886 | 564.710351974592 | 692.446127510139 | 1154.1452997683 | 1627.40433143095 | 1561.41568746603 | 1112.64361945236 | 1910.8805978732 | 2727.72395171217 | 762.444527855437 | 1363.2744953614 | 2293.65125309445 | 1246.21229719095 | 1091.94698068946 | 1642.23938065436 | 2064.91783581167 | 0 | 0 | 0 | 1375.70590663718 | 1344.74905634265 | 1202.76870615038 | 1269.75715931284 | 1073.95643501528 | 876.748861618766 | 623.568363523288 | 704.626463943018 | 1348.93603071678 | 1260.07231455772 | 844.533235185764 | 1895.42346890145 | 1596.37391095575 | 940.415100361376 | 1132.12901152142 | 1597.58901739989 | 592.886829242406 | 758.322202584406 | 1156.27344435373 | 925.253083705947 | 1416.72451811707 | 1722.53377447397 | 1430.43651103498 | 1500.15491071936 | 2517.50513035912 | 806.453946498175 | 1202.97897300646 | 1699.47330008086 | 936.851594479472 | 1153.67684587242 | 1523.22774047074 | 1583.73299982731 | M-H, M+FA-H | |||||||||||
| 16.42_1047.0677n | 1047.06768612529 | 1082.09621416342 | 1 | 16.41815 | 0.500733333333333 | 0 | 0.590648417890458 | 13.9889977301025 | D6_MA_VO_M_T2 | Blank | 100 - 57.5 - 5.71 | 1528.28648578651 | 5.98 | 190.126680037986 | 137.620850258162 | 0 | 1185.24370558004 | 1105.3869740469 | 1170.79117922859 | 949.663514521471 | 960.846012102245 | 636.82273958037 | 581.595949412622 | 474.209622388973 | 4.80231301132322 | 2452.37435620073 | 536.622176627184 | 1.63367060979891 | 1679.00305522738 | 114.595006604472 | 8.5654087776192 | 1491.89533383605 | 381.308221133012 | 1111.01656552773 | 3046.5246225417 | 10.0483490313095 | 0.0309340548557363 | 643.088524746614 | 1228.522975593 | 328.840456420584 | 4.94539951646264 | 1070.2024264498 | 0 | 257.519674523043 | 981.309279180076 | 901.690032196503 | 0 | 272.231193009277 | 7.59521460535734 | 6.85706852016927 | 0 | 1199.72057341003 | 1110.55829355771 | 1192.18448657729 | 949.663514521471 | 909.08625942491 | 390.773655687367 | 220.375043425372 | 189.035525899542 | 4.40014648438478 | 3925.28571815336 | 495.338761020411 | 1.45173846072919 | 2608.62544319662 | 52.0388793349339 | 5.24041748046261 | 2210.6478704825 | 189.127907959846 | 1491.93037834846 | 5087.20516826509 | 8.05554199219046 | 0.0269294072238122 | 709.447018333983 | 1579.41328940395 | 258.159314659214 | 4.56427001953602 | 1131.97608328301 | 0 | 190.808350008301 | 737.708306160686 | 952.664305772645 | 0 | 208.793549299592 | M-H2O-H, M+Cl | |||||||||||
| 2.90_810.6083n | 810.608290235299 | 791.5904491153 | 1 | 2.90376666666667 | 0.20575 | 14 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 44.1 - 14.9 - 1.15 | 2919.77023969275 | 0.05 | 0 | 0 | 0 | 2282.99457289214 | 2232.00795496427 | 1988.83439581167 | 1945.64358506521 | 1730.80670397019 | 2509.78623018342 | 3282.77810491401 | 2815.53702596813 | 2147.26775148796 | 1455.09555952698 | 2516.98544192549 | 2619.17279957186 | 1825.76030098325 | 4013.78017840226 | 3947.5600379899 | 1770.80625048894 | 3147.3781772132 | 1674.58935561658 | 1612.14819500688 | 2537.48563846114 | 2185.75376883562 | 1845.43290268485 | 2204.58497869727 | 1944.30351217069 | 2379.06502678699 | 1781.13638202551 | 2091.00453941022 | 2495.06905950769 | 2018.94762673755 | 2017.48605501844 | 1794.45813527086 | 3206.93482174611 | 0 | 0 | 0 | 2310.87964879065 | 2242.44993280263 | 2025.17541567083 | 1945.64358506521 | 1637.56998778321 | 1540.08058947276 | 1243.89168830512 | 1122.36550517937 | 1967.4462338179 | 2329.03504471816 | 2323.34872581304 | 2327.49115129288 | 2836.63853945651 | 1822.70265144933 | 2415.1634983623 | 2623.93009609792 | 1561.09157165841 | 2248.72500412866 | 2692.02768589669 | 2034.24682517622 | 1902.79139306052 | 2035.85792618684 | 2834.25778935397 | 1526.39388612668 | 2195.71647146874 | 1883.9461915691 | 1845.14160716012 | 1848.71315670611 | 1517.76250927959 | 2131.5384260467 | 1664.41533613013 | 2459.62740861223 | M-H2O-H, M+Na-2H | |||||||||||
| 6.58_813.5939n | 813.593938184865 | 834.562289151897 | 1 | 6.57826666666667 | 1.02753333333333 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 48.5 | 60804.9992898617 | 5.19 | 0 | 0 | 0 | 39346.6197411751 | 39258.0679957917 | 38312.2150235929 | 39774.0875323179 | 40132.1349590175 | 51563.0055201975 | 70025.1967313911 | 68068.5859200107 | 37718.1573598753 | 20415.3933482505 | 38108.1102406046 | 35408.3363880355 | 32015.970676498 | 89594.0279032254 | 55471.2753787441 | 28265.3727933804 | 68343.4253311465 | 24977.9760928408 | 19450.0287278903 | 41825.2023311842 | 65560.0015115392 | 36502.9007610804 | 37628.1665157979 | 51687.5741545986 | 44512.1047199196 | 32567.5569571057 | 47540.0709899389 | 60007.5756274635 | 44014.1258032638 | 31826.506118892 | 38369.2665761549 | 49476.0880566881 | 0 | 0 | 0 | 39827.2093539847 | 39441.7285759778 | 39012.2758079161 | 39774.0875323179 | 37970.2595349343 | 31640.6166316121 | 26533.5509749264 | 27134.373342751 | 34559.4752181298 | 32677.0061584396 | 35176.3772232706 | 31465.1212163725 | 49742.4203221827 | 40685.6541601238 | 33937.9764241824 | 41882.8216409898 | 33898.1651570025 | 33541.7152892496 | 32478.4135783145 | 33530.3513702496 | 57072.7628993843 | 40269.5322789245 | 48375.5106185694 | 40577.8196070927 | 41081.6688122495 | 34447.4042062268 | 41950.2499098464 | 44462.4144336984 | 33088.0252356309 | 33625.7197865037 | 35588.6796521882 | 37946.746354166 | M-H, M+Na-2H | |||||||||||
| 14.04_792.7631n | 792.763086586462 | 791.760416605256 | 1 | 14.0385 | 0.484733333333333 | 0 | 0.440606034711828 | 24.9136143406648 | D20_VO_MA_M_T1 | Blank | 100 - 41 - 3.38 | 2356.64483911325 | 8.18 | 91.6234907136643 | 192.154463808172 | 0 | 1394.52505222592 | 1372.72335501732 | 1488.67297283847 | 1407.44350568204 | 1418.9201814492 | 1425.51173037673 | 1659.45250898764 | 1678.89824354682 | 10.7975782543937 | 4090.65713885339 | 1038.76544009803 | 7.56896858892387 | 3140.18008939534 | 389.463347043566 | 38.9109620292883 | 2579.25927852312 | 1510.86134167583 | 3029.5239435414 | 3780.31807224249 | 32.5832574198326 | 71.2679546985475 | 1554.42117479583 | 1827.59978458078 | 879.140982497159 | 11.7926804934898 | 2972.4140470454 | 5.75180491274444 | 687.87959447929 | 2791.60788769321 | 1921.68179053328 | 7.1191825676529 | 740.9208950487 | 3.66019158764678 | 9.57424926758785 | 0 | 1411.55813560922 | 1379.1453513276 | 1515.87478219155 | 1407.44350568204 | 1342.48446049532 | 874.737027248121 | 628.790346803189 | 669.263965589388 | 9.89334220487406 | 6547.53137684865 | 958.851140523127 | 6.72605771486851 | 4878.81999494441 | 176.859679341288 | 23.8061826229124 | 3821.8726891708 | 749.383383131619 | 4068.20109037398 | 6312.52197750281 | 26.1212859515496 | 62.0417783260477 | 1714.81751774162 | 2349.59821250828 | 690.177954381674 | 10.8838482810592 | 3143.98615412566 | 5.07550048828023 | 509.682107474192 | 2098.61699057373 | 2030.31816203482 | 6.60326168296105 | 568.265163581664 | M-H2O-H, M-H | |||||||||||
| 13.95_668.5993n | 668.599346376767 | 713.597735176301 | 1 | 13.9537833333333 | 0.168466666666667 | 1 | 4.47716158025191E-6 | 222.344935435375 | D6_VO_MA_M_T1 | Blank | 100 - 40.6 - 9.75 - 0.316 | 5146.97852760368 | 4.16 | 0 | 56.8794370950321 | 12.5664243660173 | 2311.51515143018 | 2416.78932570842 | 2360.21696640209 | 2243.25853917866 | 2369.12546329223 | 2816.08544468403 | 3426.48167953422 | 3485.67771334482 | 1838.29055878634 | 1140.12655523561 | 2955.48216737384 | 2500.95743908236 | 1256.70507772672 | 2428.91183205121 | 3038.08075028966 | 1041.39156902882 | 2281.01151770485 | 1846.03346512627 | 1279.00481094886 | 5561.82434107282 | 2071.61234232233 | 8222.34471288504 | 1792.58789754026 | 2942.72881697209 | 2499.66729647006 | 1634.29510060239 | 2673.64045916744 | 3686.98005938512 | 1568.70810148197 | 1663.68234476649 | 1356.2864948219 | 5174.05733310832 | 0 | 2.83406327469745 | 0.430209176212484 | 2339.74858492299 | 2428.09576416573 | 2403.34408237945 | 2243.25853917866 | 2241.50319448217 | 1728.0350332218 | 1298.34303297025 | 1389.50558687308 | 1684.3441317651 | 1824.89368837105 | 2728.11102255649 | 2222.4407302091 | 1952.51153959832 | 1102.9961382137 | 1858.73341065459 | 1543.10426623063 | 1131.37591183838 | 2478.94900177438 | 2135.73192100663 | 4458.79312045157 | 1803.42643848155 | 9070.7853052873 | 2304.58624221753 | 2310.21712743822 | 2307.02422769146 | 1728.62901558305 | 2359.27046585369 | 2731.85566480604 | 1179.29079135146 | 1757.73351086327 | 1257.99760818996 | 3968.35418791429 | M+Cl, M+FA-H | |||||||||||
| 15.68_1051.0701n | 1051.07013369579 | 1086.04763051003 | 1 | 15.6848333333333 | 1.51293333333333 | 0 | 0.308320368083023 | 157.229063678144 | D6_MA_VO_M_T2 | Blank | 100 - 52.2 - 70.2 - 11.1 - 7.23 - 0.954 | 8423.53820029826 | 13.75 | 0 | 83.5479198561115 | 77.1769105901541 | 5299.28271881939 | 5333.9338562654 | 5986.46890600153 | 4871.13119684473 | 4585.30486357822 | 3389.31003282592 | 3192.39528679834 | 3076.11851617502 | 5.53912712352462 | 15410.8954133788 | 2234.61059318918 | 27.1555588714242 | 10498.9267992632 | 177.926805583593 | 64.5832961060344 | 11001.1536849994 | 2679.58725023504 | 13998.5515752808 | 16723.7031950733 | 123.373205523256 | 42.6697641038611 | 4997.63643308954 | 6083.50659267617 | 1308.93576076725 | 7.3197280159693 | 9541.39912676222 | 28.2715615065259 | 678.933105233491 | 5983.25229641512 | 4922.8364971481 | 12.150718061679 | 765.975334432727 | 0 | 4.16284167766935 | 2.64213702804767 | 5364.00950467188 | 5358.88753933561 | 6095.85678960682 | 4871.13119684473 | 4338.29936769264 | 2079.78294345769 | 1209.64434272566 | 1226.24184322748 | 5.07525658608029 | 24666.7754933658 | 2062.69753805278 | 24.1314062943783 | 16311.9224170249 | 80.7985604309351 | 39.5128175019836 | 16301.1951408564 | 1329.06846153744 | 18797.9774524055 | 27925.8892893926 | 98.9056047622393 | 37.1458400476652 | 5513.32846060292 | 7821.07567342104 | 1027.59241551599 | 6.7556149959637 | 10092.1427064797 | 24.9473559009062 | 503.053235895663 | 4497.96512737394 | 5201.13392244509 | 11.2701662353351 | 587.481202959357 | M+Na-2H, M+Cl | |||||||||||
| 16.50_988.8570n | 988.856983594938 | 1023.8770065042 | 1 | 16.5019 | 0.125633333333333 | 0 | 0.00237979613672512 | 18.0601710983232 | D20_MA_VO_M_T2 | Blank | 100 - 39.3 - 4.52 | 1133.0179351395 | 0.86 | 0 | 0 | 188.207176272771 | 421.593696265733 | 317.690899228748 | 455.499961912235 | 333.915429673093 | 308.843798769466 | 243.099726990602 | 270.338761859131 | 282.895834521387 | 794.371044562637 | 203.962160592613 | 641.758906557271 | 1123.9562293657 | 442.137880707551 | 1375.90693219942 | 644.709640359123 | 178.06285417324 | 304.692192611042 | 312.772761671359 | 308.069579130692 | 185.12502785746 | 1070.88855698985 | 1047.54521697388 | 411.549216777672 | 741.672462903319 | 1082.44595924374 | 141.905247689961 | 921.154369820544 | 1344.88150045847 | 366.585621774121 | 435.934469617202 | 558.871178963986 | 565.67645253567 | 0 | 0 | 6.44323730468193 | 426.743148812969 | 319.17714900748 | 463.823094897344 | 333.915429673093 | 292.206711828489 | 149.173330517871 | 102.435232646368 | 112.771568371245 | 727.846966823649 | 326.463108698546 | 592.387112373747 | 998.787929806235 | 686.938669601497 | 624.81478855319 | 394.440914249022 | 263.848448656229 | 151.126552658625 | 420.007405052323 | 514.426551337501 | 148.410692250491 | 932.253924582171 | 1155.63845746581 | 529.095763885642 | 582.256991152707 | 999.024572857574 | 150.096227131777 | 812.843885481303 | 996.485493912063 | 275.58412402643 | 460.578684504891 | 518.370277302893 | 433.857681680511 | M-H2O-H, M+Cl | |||||||||||
| 1.63_388.3030n | 388.302964542527 | 369.285123422527 | 1 | 1.62751666666667 | 0.339883333333333 | 0 | 4.3314078301826E-7 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 17.1 - 15.7 - 1.22 | 3898.01978110344 | 0.26 | 0 | 0 | 0 | 2468.70351007038 | 2489.15229480102 | 2299.59135118201 | 2363.57536925874 | 2290.53158956137 | 3046.85879786848 | 3932.38563903684 | 3964.36833410975 | 311.881386777343 | 4903.06452224551 | 2529.901235818 | 300.291013703387 | 4284.12047033546 | 1652.61911580976 | 505.716091525651 | 3288.88135303334 | 3905.05908817491 | 3890.98047403197 | 4581.55301679782 | 445.01889921346 | 496.037190959663 | 2490.24934561544 | 2773.63487959248 | 1873.32847021831 | 176.124514752058 | 4352.09289763487 | 93.3304056314021 | 2205.77165406952 | 4442.41239786562 | 3206.28843321879 | 266.536447437452 | 1959.10841199309 | 0 | 0 | 0 | 2498.85688212244 | 2500.79726812685 | 2341.61068428347 | 2363.57536925874 | 2167.14308913358 | 1869.64452869701 | 1490.03729624195 | 1580.32738585642 | 285.763086316451 | 7847.87571101947 | 2335.27088189037 | 266.849395092088 | 6656.13181932122 | 750.472898448903 | 309.403032007876 | 4873.37039969033 | 1936.89937660293 | 5225.00937509571 | 7650.45521486355 | 356.761933603455 | 431.821420625419 | 2747.21116171546 | 3565.83952910456 | 1470.6742572593 | 162.55104157149 | 4603.30209555886 | 82.3564996622166 | 1634.35920221476 | 3339.62451474515 | 3387.54609153046 | 247.220786059506 | 1502.58019399263 | M-H2O-H, M+Na-2H | |||||||||||
| 5.00_785.5303n | 785.530279795263 | 806.504947615263 | 1 | 5.00125 | 0.817033333333334 | 0 | 0 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 46.9 - 46.9 - 18.2 | 34757.9192195315 | 2.16 | 0 | 0 | 0 | 23633.0050350401 | 23545.8928542588 | 23021.0634433402 | 23676.0664498671 | 23580.1303223286 | 28546.5960484868 | 38292.760200686 | 36946.2786107401 | 24237.2182543573 | 16046.3219582384 | 30680.2716974337 | 28976.0912227356 | 12865.1861381437 | 31876.8327704902 | 28187.5194447013 | 15313.387843857 | 43281.0963850113 | 22269.3978267238 | 16700.7703541524 | 28806.4911176054 | 23166.7252956998 | 17653.5889689378 | 12841.9402520129 | 25598.3795327072 | 30255.2039738712 | 23635.2398361779 | 30400.0400548068 | 39115.7983842563 | 20248.052193816 | 19639.2061686013 | 22645.7064570009 | 27648.6963512781 | 0 | 0 | 0 | 23921.6645644744 | 23656.0473413078 | 23441.7163270269 | 23676.0664498671 | 22309.8937826434 | 17517.0530227115 | 14509.6758335855 | 14727.999765225 | 22207.4884418647 | 25683.8431915198 | 28319.9771315723 | 25749.1968193151 | 19988.3209187354 | 14475.6277195299 | 17245.4547662523 | 22690.9404829704 | 21467.3137368581 | 29904.4966169655 | 27887.5951407116 | 23093.5348804548 | 20167.6172890864 | 19475.2130926941 | 16509.8508523785 | 20096.2502864854 | 27923.5115329293 | 24999.5006140703 | 26825.5652760464 | 28982.7212727758 | 15221.6600860371 | 20749.4483053785 | 21004.592073609 | 21205.7603718223 | M+Na-2H, M+Cl | |||||||||||
| 14.74_1473.0008n | 1473.00079049325 | 1471.99351406125 | 1 | 14.7412 | 0.201766666666666 | 0 | 4.44089209850063E-16 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 76.4 - 15.5 - 0.638 | 3930.79485182423 | 7.3 | 0 | 0 | 0 | 1692.40181471747 | 1581.13563272747 | 1870.23189899714 | 1733.18564914096 | 1684.39898653039 | 1852.96493332936 | 1991.92318628943 | 1809.69398985019 | 1132.65346917443 | 514.090569462564 | 879.976604820636 | 1399.21801961677 | 1711.2706283158 | 5768.69179564802 | 4181.99777590792 | 2177.19183914997 | 1053.95904327103 | 526.925712853778 | 450.617776132993 | 1261.31668511134 | 3923.99788325269 | 3228.88054610919 | 3225.3070396679 | 4636.28266398055 | 1224.75102753603 | 411.917606999367 | 1196.34053734703 | 1488.51676158662 | 2189.06463319887 | 1883.33649093917 | 3177.51525270355 | 2753.83757292622 | 0 | 0 | 0 | 1713.07324057828 | 1588.53264186431 | 1904.40575214742 | 1733.18564914096 | 1593.66220472076 | 1137.03521537994 | 754.768252980221 | 721.403444673176 | 1037.80015352244 | 822.856577767752 | 812.278247422548 | 1243.39545673349 | 2658.75877195179 | 2619.62772348613 | 2558.59525413277 | 3226.10064773999 | 522.761005091671 | 707.583039291643 | 752.4590685052 | 1011.17004302952 | 3416.00664498382 | 3562.05963540764 | 4146.51813768538 | 3639.75761415678 | 1130.36254761014 | 435.694096632967 | 1055.67331882212 | 1102.91156496716 | 1645.64953872923 | 1989.80512882707 | 2947.24352351019 | 2112.11476058236 | x | x | M-H, M+Na-2H | |||||||||
| 17.43_746.7916n | 746.791596232436 | 745.784319800436 | 1 | 17.4341 | 0.558033333333334 | 0 | 0.00937239509599608 | 4.02201027472608 | Blank | D6_MA_VO_M_T1 | 100 - 46.4 - 18.5 - 11.4 | 10708.4778452516 | 2.1 | 5018.04673639294 | 9409.3265696269 | 17698.0602297349 | 4285.48360133787 | 4011.32198206322 | 4263.16800653206 | 3745.15357569969 | 3875.76878877088 | 3403.49684050058 | 3446.5969413251 | 3776.63223971789 | 3619.41002917258 | 4132.30632314971 | 4633.50961331959 | 3814.44521767198 | 3696.76567159207 | 4528.74233901758 | 4231.48074752747 | 3499.66568579022 | 3963.95058435897 | 1360.98750072878 | 3603.57789357824 | 3314.06191787836 | 3211.49601058182 | 3810.06716673311 | 4655.60068622908 | 3568.19663870065 | 3356.8177694812 | 3458.05927174481 | 4024.47651069264 | 4148.36310776148 | 2871.03307003703 | 3122.76004436869 | 3166.56822080651 | 4412.50750316594 | 200.461828161112 | 468.827193666859 | 605.889765475606 | 4337.8275871292 | 4030.08810480308 | 4341.06683687942 | 3745.15357569969 | 3666.98524654396 | 2088.48839687981 | 1305.96499405019 | 1505.48961441917 | 3316.30493011586 | 6614.19532147754 | 4277.04446630136 | 3389.65321137812 | 5743.57322247095 | 2056.55275131286 | 2588.86951613155 | 5185.70460020153 | 1966.1094089406 | 1827.60424991984 | 6017.39436104167 | 2656.8110702569 | 2795.74353475257 | 4203.21726648139 | 5985.33176836927 | 2801.24656449847 | 3098.11627054309 | 3657.66353490305 | 3551.27352282651 | 3073.71590653533 | 2158.3256043375 | 3299.29568203847 | 2937.08981336426 | 3384.26722049336 | M-H, 2M-H | |||||||||||
| 4.73_811.5237n | 811.523676737305 | 810.516400305305 | 1 | 4.72998333333333 | 0.706333333333333 | 1 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 48.2 - 14.1 - 2.07 - 2.61 - 0.745 | 108196.048013855 | 0.27 | 0 | 0 | 0 | 55307.7633950263 | 55401.182025257 | 53987.2293232654 | 55103.6841062783 | 55740.2968079356 | 73981.2199730271 | 105001.831128828 | 101717.370105197 | 37058.3851190175 | 24872.4881734464 | 31399.3851766573 | 33344.2126246644 | 51317.185618477 | 165074.910409234 | 129146.239070689 | 71096.6304053772 | 36993.2794443224 | 23783.5848339856 | 22588.1503596642 | 49479.6516684251 | 83377.76736562 | 83692.6445579586 | 65023.1440759029 | 100056.484114759 | 28158.6303098158 | 32131.3086379267 | 46039.451325677 | 41936.8875184229 | 82435.8421097123 | 66270.936882859 | 84798.6480214204 | 85936.3751545629 | 0 | 0 | 0 | 55983.306472684 | 55660.3647551571 | 54973.7121481348 | 55103.6841062783 | 52737.6263065223 | 45397.1097202355 | 39786.6991992103 | 40547.8835585124 | 33954.9551672168 | 39811.0599857276 | 28983.767774871 | 29630.8666016312 | 79730.2397162544 | 74962.3705128868 | 79013.1827135234 | 105348.955144195 | 18348.5725251071 | 31937.8250701388 | 37718.570991021 | 39666.7562533912 | 72583.8840485764 | 92328.6528266451 | 83595.0323377034 | 78550.2904582996 | 25988.5155256822 | 33985.9749929505 | 40626.0749848923 | 31072.9979241177 | 61971.9050251903 | 70017.3605386525 | 78653.3647543967 | 65910.7451431952 | x | x | M-H, 2M-H | |||||||||
| 14.77_1499.0199n | 1499.01994476616 | 1519.99461258616 | 1 | 14.76785 | 0.209383333333333 | 0 | 1.11022302462516E-16 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 80.3 - 99.6 - 65.1 - 24 - 2.02 | 4904.48786469948 | 6.04 | 0 | 0 | 0 | 3430.82449785096 | 3473.82676235146 | 3563.47821107774 | 3526.19887127354 | 3554.21480472936 | 3899.26592100936 | 4714.73370266879 | 4038.24878529047 | 4356.72020709154 | 1971.44312273124 | 3274.37139611728 | 4960.77148603005 | 2465.74286803425 | 7099.09555431868 | 5560.69124328217 | 2664.06365637177 | 4748.11387885061 | 1920.52932413675 | 1665.78063744509 | 5007.90910712122 | 5214.86383713175 | 3243.86813041752 | 3020.33978807016 | 5710.50517625329 | 4222.17813612929 | 2000.66522360909 | 4205.89380232106 | 5603.08192707791 | 3255.24279187706 | 2988.44060076469 | 4410.27441042151 | 5295.37572116802 | 0 | 0 | 0 | 3472.72946015486 | 3490.0783272198 | 3628.59194438262 | 3526.19887127354 | 3362.75303360496 | 2392.70726961485 | 1786.48019387693 | 1609.77855952153 | 3991.8695548335 | 3155.50418077165 | 3022.46746615586 | 4408.31996239742 | 3830.96359587246 | 3223.77900996551 | 3402.09607635924 | 3947.53339273816 | 2355.05240876743 | 2578.98588562238 | 2781.58522183111 | 4014.73137326228 | 4539.76022677194 | 3578.5937463277 | 3883.0082095053 | 4483.0861710456 | 3896.78549118713 | 2116.14656051032 | 3711.35954212149 | 4151.58499810624 | 2447.15880822394 | 3157.38290167751 | 4090.66571181938 | 4061.40192633942 | M+Na-2H, M+FA-H | |||||||||||
| 13.07_880.6764n | 880.676395134636 | 925.673531363511 | 1 | 13.0684166666667 | 0.205966666666667 | 3 | 2.95283808515734E-7 | 190.680127866013 | D6_MA_VO_M_T1 | Blank | 100 - 54.2 - 17.5 - 0.63 | 4403.64668055052 | 0.2 | 0 | 0 | 69.2832556255395 | 3258.45275127146 | 3330.59530041473 | 3271.15590105027 | 3215.34026538922 | 3232.52044577763 | 3655.42034659778 | 4341.74481401322 | 4106.79841755509 | 3548.32291651656 | 2392.57695122742 | 3877.91127187751 | 3888.97120323799 | 2122.22712737546 | 4111.20303581246 | 3471.42205445075 | 1877.69219946054 | 5027.13686371555 | 3780.15649738549 | 2224.33776077716 | 4859.72944286254 | 3191.44332993658 | 2321.94937677682 | 2200.59178485438 | 3205.18753689672 | 3895.02857691108 | 3021.65466656869 | 3621.67502662155 | 4904.76451845067 | 2678.94873912151 | 2513.34169205823 | 2636.85358763406 | 3335.31946659914 | 0 | 0 | 2.37189923400851 | 3298.25232125723 | 3346.17678713753 | 3330.9281685718 | 3215.34026538922 | 3058.38800760285 | 2243.07626460584 | 1645.14935651868 | 1637.10469373214 | 3251.17096069301 | 3829.57361811004 | 3579.5758140898 | 3455.87968256575 | 3297.25170152472 | 1866.94346500181 | 2123.85669948885 | 2782.31064071093 | 2493.44709966451 | 5076.18922016873 | 3714.28560559348 | 3895.9389722315 | 2778.28682545458 | 2561.5447931151 | 2829.1240608459 | 2516.2628311804 | 3594.84852531138 | 3196.06901457227 | 3195.83394166949 | 3634.16902680611 | 2013.92443601461 | 2655.42573693695 | 2445.76313268263 | 2558.09476416439 | M+Cl, M+FA-H | |||||||||||
| 4.74_879.5726n | 879.572640840926 | 860.554799720926 | 1 | 4.74141666666667 | 0.343683333333333 | 0 | 0 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 41.7 - 1.7 | 3550.70206836401 | 4.09 | 0 | 0 | 0 | 2542.09483370087 | 2608.38431819015 | 2357.29566567906 | 2604.29555323379 | 2492.81018588245 | 2637.03787924589 | 3316.61441422744 | 3003.14747285023 | 2779.94390623168 | 1426.71697657281 | 3016.39906180401 | 3570.76569874415 | 1537.366027253 | 3508.37885656464 | 3219.43935680434 | 1821.68198729022 | 2578.52341992947 | 1717.23331042541 | 1187.25040497 | 3436.13585656952 | 2522.48633340634 | 2380.83831750343 | 1610.3069719155 | 3022.30638410569 | 2907.00949667672 | 1889.25197750434 | 2975.41058884621 | 2625.18495317286 | 2945.82527788417 | 3298.52735802129 | 3344.93772096576 | 3756.46641576226 | 0 | 0 | 0 | 2573.14462603094 | 2620.58709335673 | 2400.36940212527 | 2604.29555323379 | 2358.52515262252 | 1618.16604246577 | 1256.71275100652 | 1197.1531893936599 | 2547.13934242737 | 2283.61210751863 | 2784.3414586557 | 3173.11082664178 | 2388.56750243088 | 1593.19423583747 | 1969.69073172199 | 2699.3163089697 | 1278.94105872586 | 2305.98950729293 | 1982.51684936302 | 2754.67508117199 | 2195.93137742832 | 2626.51031777254 | 2070.24230070708 | 2372.69025017097 | 2682.97358949853 | 1998.30237810656 | 2625.55808578658 | 1945.12209721169 | 2214.55133677022 | 3484.99946034295 | 3102.53303309037 | 2881.1024449538 | M-H2O-H, M-H | |||||||||||
| 13.05_784.6860n | 784.686011620482 | 805.660679440482 | 1 | 13.0531 | 0.22865 | 0 | 0.872963629475062 | 2.73502673480133 | D6_MA_VO_M_T1 | D20_VO_MA_M_T2 | 100 - 27.9 - 22.7 - 1.28 | 1343.17767338711 | 3.82 | 602.321463494193 | 1186.35399028865 | 1504.23589324191 | 875.400306001139 | 855.292773022529 | 901.954941931077 | 887.966176165652 | 866.459019993528 | 756.820910157844 | 677.036258269388 | 845.369496744076 | 308.66311602842 | 1951.76784462251 | 881.252872786254 | 346.93294210684 | 1417.84867757222 | 519.141735623043 | 332.309929698409 | 1306.00664789582 | 994.827362936855 | 1691.52798383737 | 2080.56140917708 | 456.139877093036 | 417.110343981788 | 1011.2818849068 | 744.271017091572 | 588.262941781858 | 274.860424873675 | 1756.28911535598 | 236.347920388482 | 821.562369124417 | 1197.74153821384 | 1134.81496207077 | 307.759073464434 | 674.44534618244 | 24.0616455078125 | 59.1110328509477 | 51.4972330721911 | 886.092667807108 | 859.29407963138 | 918.435933272444 | 887.966176165652 | 819.783794187273 | 464.408155333618 | 256.538744754589 | 336.992038650296 | 282.814327522869 | 3124.01180769018 | 813.456329545044 | 308.297090202551 | 2202.87635773043 | 235.748091808753 | 203.311109806354 | 1935.20332795956 | 493.431842026362 | 2271.4710682237 | 3474.2022681662 | 365.677378720261 | 363.112251618286 | 1115.63321429967 | 956.849451468506 | 461.821393702187 | 253.677623543183 | 1857.66470415165 | 208.557835937343 | 608.733916629402 | 900.413254129518 | 1198.96823677647 | 285.456044718528 | 517.28031634209 | M+Na-2H, M+Cl | |||||||||||
| 1.05_462.3363n | 462.336318107736 | 483.310985927736 | 1 | 1.05136666666667 | 0.1637 | 0 | 0.00586541029470844 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 13.4 | 1015.07653090548 | 18.19 | 0 | 0 | 0 | 569.644766109725 | 509.308301677853 | 491.13019711368 | 512.167982126939 | 467.691552115857 | 585.145130355576 | 890.195851795509 | 820.650684441622 | 60.0153650234879 | 1621.89513902113 | 587.764206915376 | 14.5026464524543 | 1283.4602801467 | 165.205754665294 | 28.9782995544144 | 858.981738322382 | 884.507758893163 | 1145.64530291781 | 1475.22761408668 | 16.0922656826387 | 41.1625660856359 | 606.815064498283 | 858.968885958651 | 441.090189571151 | 10.390646401359 | 1035.60463372715 | 3.88101765200931 | 334.693779063263 | 1074.15960432874 | 706.732699295321 | 2.10128333762819 | 336.026556432035 | 0 | 0 | 0 | 576.60255204876 | 511.690993006162 | 500.104384348338 | 512.167982126939 | 442.497505658994 | 359.062714763267 | 337.307970756413 | 327.138308437767 | 54.9894179730709 | 2596.01549390075 | 542.546332795107 | 12.8875732421832 | 1994.08043463596 | 75.0217883588693 | 17.7292633056615 | 1272.81459197486 | 438.71359897945 | 1538.43163393647 | 2463.39238068851 | 12.900817990305 | 35.8337602253143 | 669.43060188809 | 1104.30728657129 | 346.282030751565 | 9.58986542855602 | 1095.3812551192 | 3.42468273639668 | 247.990247189403 | 807.509394915416 | 746.685659484233 | 1.94900518655743 | 257.722770858126 | M+Na-2H, M+Cl | |||||||||||
| 13.08_792.7388n | 792.738818564821 | 791.731542132821 | 1 | 13.0760333333333 | 0.175333333333334 | 0 | 0.227662348086872 | 15.8546490569527 | D0_MA_M_T1 | Blank | 100 - 23.5 | 410.732291619743 | 3.17 | 77.7183317292587 | 0 | 0 | 232.591702245825 | 203.99966873035 | 161.170206217044 | 202.311050574364 | 212.028506159655 | 200.087439167809 | 107.16759475609 | 186.532472250006 | 13.0466415594054 | 808.417941680081 | 225.915659418794 | 7.51749621471685 | 497.906640478635 | 71.9805246537626 | 19.2257058087565 | 441.923638268765 | 215.397308677952 | 548.207735246605 | 804.237984093203 | 16.8307134889035 | 24.3662797811276 | 250.647497091056 | 248.155442731074 | 98.709603539712 | 9.94641584725845 | 632.400484700337 | 4.35976409192066 | 105.843461548466 | 326.41113372406 | 312.081097114344 | 5.0215889552708 | 80.4147320089852 | 3.10470581054767 | 0 | 0 | 235.432636406379 | 204.954038097707 | 164.115192324069 | 202.311050574364 | 200.606756054914 | 122.779692371303 | 40.6073380875811 | 74.3579681312293 | 11.9540591909123 | 1293.95880883857 | 208.53551661798 | 6.6803175118844 | 773.585209773914 | 32.6871645450581 | 11.7625121474288 | 654.829817948931 | 106.836517317658 | 736.161637222331 | 1342.9478294453 | 13.4928154710724 | 21.2118803634193 | 276.511106358474 | 319.033515753493 | 77.4929091069697 | 9.17987060546977 | 668.903570058337 | 3.84713757038253 | 78.4243623118698 | 245.382581904005 | 329.723642395117 | 4.65767883051384 | 61.6758025652092 | M-H, M+FA-H | |||||||||||
| 2.03_444.2644n | 444.264431883362 | 489.226418866881 | 1 | 2.02916666666667 | 0.36675 | 0 | 5.74626641005938E-4 | 8.13429461846401 | D0_MA_M_T2 | Blank | 100 - 18.5 - 10.3 - 0.0111 | 3828.5220017717 | 13 | 655.467113789044 | 276.532916396209 | 479.992840007088 | 2503.06396643563 | 2959.86257529742 | 2329.23396026245 | 2843.08852510645 | 2610.2068108843 | 3995.56793172823 | 4831.64427076593 | 5315.34330288376 | 4270.81999128571 | 1625.86368288812 | 3476.7042196988 | 4180.33978384461 | 1863.19805807631 | 4858.47001482638 | 3935.46089852253 | 1856.32029405853 | 4928.0083300975 | 2266.27611125351 | 1914.53097808675 | 3492.35354269814 | 3363.48668628632 | 2506.91137979268 | 2245.95305413407 | 3262.29116798794 | 4302.92734172122 | 2114.33293279341 | 2565.43678594716 | 4450.52745885562 | 2442.76718082773 | 2012.34252495508 | 2494.86734608235 | 3953.46564930166 | 26.184717447269 | 13.7784729003924 | 16.43246465922 | 2533.63702583387 | 2973.709667261 | 2371.79493858462 | 2843.08852510645 | 2469.59774630331 | 2451.80109029633 | 1830.77928424596 | 2118.87036693881 | 3913.16299578691 | 2602.36757001164 | 3209.23442158912 | 3714.80028270237 | 2894.80465498864 | 2206.2857915493 | 2407.76110302899 | 2750.64236204984 | 2444.2795990882 | 3043.27251367177 | 3196.95820426385 | 2799.74357251339 | 2928.05786662265 | 2765.59250427024 | 2887.44140040562 | 2561.09257757938 | 3971.31155868838 | 2236.37533691579 | 2263.78951603107 | 3297.60358179892 | 1836.37277008022 | 2126.10412232584 | 2314.0665088868 | 3032.19523019017 | M+Na-2H, M+FA-H | |||||||||||
| 17.86_1423.4806n | 1423.48059247957 | 1422.47604743412 | 1 | 17.8576333333333 | 0.256033333333331 | 0 | 0.00358429858811571 | Infinity | QC | Blank | 100 - 72.4 - 23.4 | 1324.46129855458 | 22.58 | 0 | 0 | 0 | 1718.86905552245 | 1787.16671752721 | 1742.39864874902 | 1458.01544897534 | 1496.5032739515 | 824.03906585244 | 960.549796019591 | 608.148381839094 | 47.7592069955544 | 2408.30943142631 | 1750.9153558218 | 33.5922911717002 | 1043.4825788429 | 83.7705032776973 | 93.1128444136594 | 1592.10924327151 | 259.40726638587 | 720.717231675715 | 2241.21546885069 | 69.3929443501703 | 17.3751364316149 | 649.675422487869 | 1961.41867863579 | 608.438062528197 | 4.31212160591438 | 1273.44492456096 | 16.5014141687892 | 206.609931567225 | 671.340035038084 | 926.451075515543 | 8.76580430998952 | 753.022443384215 | 0 | 0 | 0 | 1739.86375898867 | 1795.52759958248 | 1774.23666604704 | 1458.01544897534 | 1415.88823432503 | 505.655244667533 | 363.966088869489 | 242.427913222753 | 43.7596437931041 | 3854.75512422051 | 1616.21394116727 | 29.8513181209604 | 1621.2330264839 | 38.0411262328481 | 56.9675295352996 | 2359.14197758356 | 128.665344417077 | 967.816291402878 | 3742.46865821181 | 55.6308081489564 | 15.1257934570284 | 716.713599500931 | 2521.63841349989 | 477.660063316428 | 3.97979724407514 | 1346.95003707205 | 14.5611572265656 | 153.086944563308 | 504.68606647601 | 978.825138543834 | 8.13055419922625 | 577.546705498526 | M-H2O-H, M-H | |||||||||||
| 13.08_446.2424n | 446.242429734451 | 445.235153302451 | 1 | 13.0760333333333 | 0.167733333333334 | 0 | 0.00507755137125943 | 6.57824965592693 | Blank | D0_MA_M_T1 | 100 - 11.7 - 9.85 | 8576.37127957324 | 2.51 | 9900.30185979246 | 6100.35787821942 | 9728.45410070784 | 1182.69072777246 | 1200.97839908126 | 1304.12640406409 | 1545.79901545943 | 1494.96334735555 | 2007.26444780021 | 2369.55254966396 | 2015.81929838142 | 1912.26549637229 | 695.227903287912 | 1643.87134351418 | 2264.23557429119 | 652.682435030786 | 2668.83680177883 | 2436.38801237972 | 904.022199472574 | 2373.51507750328 | 954.691731159368 | 799.104753895953 | 2024.04729734193 | 1808.51828126777 | 1296.45729645379 | 900.982583585567 | 1857.86867761966 | 1732.08368712816 | 1324.15441901549 | 1532.26586157567 | 2176.81894402436 | 1379.41236417654 | 1429.19372883746 | 1757.86529159312 | 2105.15582580679 | 395.499028689286 | 303.955192036929 | 333.051797598407 | 1197.13641288271 | 1206.59692288609 | 1327.95608221566 | 1545.79901545943 | 1414.43126193688 | 1231.71805503528 | 897.857432738788 | 803.571760666235 | 1752.12408712909 | 1112.78612612208 | 1517.40503847829 | 2012.08116717872 | 1014.05652660844 | 1211.94876118607 | 1490.61074150078 | 1339.55426014662 | 1177.25744224842 | 1282.00932359474 | 1334.37616224257 | 1622.63451907508 | 1574.3918957633 | 1430.23507335771 | 1158.32092220307 | 1458.53740066482 | 1598.59635569773 | 1400.58655806959 | 1352.10012275811 | 1612.90678758967 | 1036.98597400814 | 1509.98880200646 | 1630.47434357494 | 1614.59438883602 | M-H, M+FA-H | |||||||||||
| 13.07_668.6739n | 668.673904308972 | 703.66301409592 | 1 | 13.0684166666667 | 0.232433333333335 | 0 | 9.78215727464815E-4 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 39.4 - 29 - 4.32 | 1589.50530769843 | 8.58 | 0 | 0 | 0 | 935.243870076256 | 905.860989613601 | 855.637010563989 | 869.437476731499 | 918.033794209135 | 1085.93820524019 | 1326.41975701803 | 1232.05041880077 | 46.0594206016283 | 2181.77878952723 | 1007.74993339063 | 66.5551583287512 | 1544.8954941764 | 642.629810818241 | 63.0209649525335 | 1329.51170373675 | 1493.07966162243 | 1685.93095377444 | 2183.53118686213 | 70.0630888525529 | 45.5649130903013 | 1069.43861433902 | 932.522217988743 | 626.425665157739 | 7.1653304383165 | 1989.94315900695 | 14.8388225085585 | 736.544242468865 | 1585.23877960167 | 1264.92036532275 | 45.548049668097 | 555.332126108448 | 0 | 0 | 0 | 946.667176382088 | 910.098868944245 | 871.271656494601 | 869.437476731499 | 868.580290172897 | 666.364462098063 | 502.599462476199 | 491.135750640073 | 42.2022048865181 | 3492.16876332407 | 930.221718680323 | 59.1433074245375 | 2400.26584861848 | 291.825413454768 | 38.5569649910713 | 1970.03244798016 | 740.563715046524 | 2263.95508741972 | 3646.1452031875 | 56.1680483625435 | 39.6661900759124 | 1179.79097284155 | 1198.86889624098 | 491.78140111577 | 6.61311645111939 | 2104.80560258212 | 13.0940551757616 | 545.740017239043 | 1191.71788117331 | 1336.42874897087 | 42.2472226619846 | 425.923878775788 | M+Na-2H, M+Cl | |||||||||||
| 14.29_1492.9719n | 1492.97191817068 | 1491.96464173868 | 1 | 14.28625 | 0.199 | 0 | 2.22044604925031E-16 | Infinity | D0_VO_M_T1 | Blank | 100 - 87.8 - 51.8 - 14.8 | 6936.71447438202 | 6.63 | 0 | 0 | 0 | 2377.48678529539 | 2212.5724641476 | 2638.63852131117 | 2459.5096401273 | 2573.5917394073 | 2574.10976718331 | 3095.76945821377 | 2641.25185067374 | 317.586119405186 | 99.9189032062105 | 105.958954610993 | 186.965441709765 | 2970.23097315419 | 10903.1979756098 | 8672.39375555536 | 4920.04123476949 | 78.9693899153938 | 99.8720621558674 | 157.397824879377 | 450.393420488989 | 6143.95800050596 | 5138.18415169369 | 6099.67658712423 | 7654.88500886987 | 488.721879843889 | 114.970468432594 | 378.319884611223 | 341.693944074788 | 3855.56237209269 | 3510.17886288308 | 4792.82312850205 | 5439.65402148269 | 0 | 0 | 0 | 2406.52601308983 | 2222.92351714677 | 2686.85310122092 | 2459.5096401273 | 2434.95508978151 | 1579.55145340068 | 1173.03143097508 | 1052.88971174799 | 290.99007988342 | 159.930820813388 | 97.8073206476731 | 166.14421593267 | 4614.77426417865 | 4951.2646373504 | 5305.87214387441 | 7290.3764973666 | 39.1686165674195 | 134.113358973968 | 262.829002685695 | 361.070569946406 | 5348.57611565085 | 5668.37890243229 | 7841.8641361753 | 6009.53997326114 | 451.057314305378 | 121.606732832095 | 333.836558819271 | 253.176996272202 | 2898.45459240933 | 3708.61603227479 | 4445.49146154024 | 4172.05926166024 | x | x | M-H, M+Na-2H | |||||||||
| 5.10_883.5964n | 883.596356075022 | 904.525705365493 | 1 | 5.09645 | 0.2752 | 0 | 0 | Infinity | D0_MA_M_T2 | Blank | 100 - 42.9 - 1.6 | 2342.85787468561 | 3.48 | 0 | 0 | 0 | 1602.02024221516 | 1723.68450366432 | 1673.86347746056 | 1646.6357001868 | 1472.644820965 | 1685.17832307073 | 1833.60397112739 | 1978.12646922382 | 2455.19541858935 | 1574.41726389787 | 2456.60119645335 | 2229.11455291787 | 763.204199586864 | 1564.1810029548 | 1385.71706357374 | 726.574214066399 | 2370.85152064186 | 1425.63498420867 | 1479.40743069615 | 2612.36499293647 | 1296.86253146134 | 1190.73601469775 | 998.888807377591 | 1303.10500634344 | 2104.68039346571 | 1269.25462825993 | 1885.2758046912 | 2254.03921306278 | 1391.05731744108 | 1562.73794093337 | 1723.47993203407 | 1810.4267509544 | 0 | 0 | 0 | 1621.58772458045 | 1731.74839758886 | 1704.44918434698 | 1646.6357001868 | 1393.3150108241 | 1034.07628663729 | 694.778832573079 | 788.54616134045 | 2249.58670209771 | 2520.02211031379 | 2267.60996092389 | 1980.87136441804 | 1185.77145360059 | 710.312158292457 | 847.797940700921 | 1076.61690645779 | 1175.93632481897 | 1914.41622687863 | 2470.37200084346 | 2094.27596851555 | 1128.97385699665 | 1313.60471030494 | 1284.19108828429 | 1023.01492653431 | 1942.47797142021 | 1342.51787071042 | 1663.60271469768 | 1670.12289020284 | 1045.74017508457 | 1651.08252552959 | 1598.58086071038 | 1388.54560676967 | x | x | M-H2O-H, M+Na-2H | |||||||||
| 8.51_849.6172n | 849.617231353142 | 830.599390233142 | 1 | 8.50746666666667 | 0.924466666666666 | 14 | 0 | Infinity | D0_VO_M_T2 | Blank | 100 - 46 - 10.1 - 0.373 | 29720.6684473428 | 2.06 | 0 | 0 | 0 | 18060.3210276214 | 17870.6781835008 | 18123.1668158532 | 18232.1371673462 | 18696.0259332189 | 22501.0900271944 | 29545.8737095916 | 28305.3985478383 | 16112.9239811284 | 9161.5201504465 | 13032.333840273 | 14690.0007509734 | 12511.6850283081 | 39006.2786521179 | 34429.2842195016 | 25012.052675184 | 14258.5926994568 | 15712.409316292 | 9051.89552637268 | 19550.1396079585 | 19299.9545941216 | 24296.6253910011 | 13673.3403015704 | 29710.9045475143 | 17228.5844486257 | 16062.6442867363 | 17545.2411239239 | 20373.1128008894 | 17722.7831212578 | 20875.2017667313 | 22795.8071024443 | 22140.709432563 | 0 | 0 | 0 | 18280.9143783839 | 17954.2823772643 | 18454.3227766274 | 18232.1371673462 | 17688.8909020444 | 13807.3480426771 | 11195.355140227 | 11283.4612535504 | 14763.5578192322 | 14663.9863984038 | 12029.7303742072 | 13054.0630102624 | 19439.0950037232 | 17713.1891539431 | 21064.2396116723 | 37062.1448628163 | 7072.22571726062 | 21099.4340708923 | 15115.2068043817 | 15672.920006499 | 16801.4293337884 | 26803.7257328066 | 17578.7151008866 | 23324.8269978118 | 15900.8207964063 | 16989.8037207646 | 15482.2497011603 | 15095.3904600515 | 13323.2657575198 | 22055.3171143774 | 21143.8150575999 | 16981.2917297771 | x | x | M-H2O-H, M+Cl | |||||||||
| 4.67_1671.0639n | 1671.06392913608 | 1670.05665270408 | 1 | 4.66518333333333 | 0.179983333333333 | 0 | 2.30926389122033E-14 | Infinity | D6_MA_VO_M_T1 | Blank | 98.9 - 100 - 46.7 - 7.49 - 0.0729 | 7543.47915678717 | 13.68 | 0 | 0 | 0 | 3385.42598457386 | 3153.99300273813 | 3123.30899079755 | 3215.69007890094 | 3192.50896461683 | 3913.36463391288 | 5020.98205535723 | 5076.41842155342 | 6828.50362894765 | 3123.86570787749 | 4904.80303818767 | 7845.02658027128 | 1757.6489189372 | 2134.00350691342 | 1393.34552508635 | 758.095396763864 | 12052.1893186354 | 3034.76899493898 | 3045.17568685309 | 7860.42458741799 | 3950.244713716 | 586.948051141186 | 1942.28404144343 | 3003.4524948382 | 9096.63932593009 | 3209.43548002769 | 5894.58113769012 | 7931.06924281002 | 2688.83086725796 | 1921.93348996859 | 2343.88093855797 | 4079.02408897187 | 0 | 0 | 0 | 3426.77643789932 | 3168.74829290799 | 3180.37972242804 | 3215.69007890094 | 3020.53190237435 | 2401.35866542622 | 1902.52208531518 | 2023.62706427187 | 6256.65510883552 | 5000.07897144921 | 4527.46674625961 | 6971.37277472626 | 2730.81557289107 | 969.074956118197 | 852.465122863222 | 1123.32409417053 | 5977.85525157712 | 4075.24441606223 | 5084.95266304784 | 6301.53074331853 | 3438.85562450419 | 647.51356737881 | 2497.03854775057 | 2357.88882584218 | 8395.58422239935 | 3394.68881254839 | 5201.48890590214 | 5876.49949008752 | 2021.35341703362 | 2030.58409052382 | 2174.02195321214 | 3128.49496709199 | x | x | M-H, M+Na-2H | |||||||||
| 1.15_334.2978n | 334.297776951931 | 369.267178251931 | 1 | 1.15035 | 0.274216666666667 | 0 | 0.0209212606763611 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 6.9 | 943.011956186963 | 19.54 | 0 | 0 | 0 | 466.764741724628 | 507.086876726994 | 459.230342039677 | 481.793832134854 | 399.995698099018 | 581.482497631865 | 650.782146612126 | 701.450506131878 | 2.78031271286862 | 1572.19252503063 | 479.350413307427 | 18.7185544471112 | 1246.31498050784 | 207.911237457156 | 9.20325783681438 | 811.760825659697 | 782.659523506731 | 1103.3643888672 | 1409.5394981292 | 19.0281159618028 | 16.8647412292865 | 565.617214165403 | 706.458647705791 | 388.784038458255 | 11.4929568345589 | 1059.66549794415 | 3.13849883853457 | 345.535096292213 | 887.792848203985 | 590.552743844255 | 6.15687672864069 | 350.753454722378 | 0 | 0 | 0 | 472.465924900572 | 509.459175587814 | 467.621638476997 | 481.793832134854 | 378.448355293998 | 356.815212766357 | 246.590685449144 | 279.621203490414 | 2.54747726359642 | 2516.46117938165 | 442.473028816481 | 16.6339807162654 | 1936.36870300366 | 94.4148276525999 | 5.63066101074654 | 1202.84399306455 | 388.197133242619 | 1481.65464063711 | 2353.70381276427 | 15.2544250488277 | 14.681472778324 | 623.981661414541 | 908.237126018974 | 305.218591445009 | 10.6072235703457 | 1120.83094777886 | 2.76947021484574 | 256.023085286934 | 667.406466203352 | 623.937827466094 | 5.7106932997718 | 269.01788120248 | M+Cl, M+FA-H | |||||||||||
| 5.34_779.5566n | 779.556633144413 | 824.552896801905 | 1 | 5.3413 | 1.27208333333333 | 2 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 45.6 - 10.8 - 1.76 - 0.334 | 279083.171724522 | 0.85 | 0 | 0 | 0 | 188290.828487664 | 188099.490220256 | 185275.762190051 | 187287.262542979 | 193147.549112775 | 259517.674371592 | 371281.123723593 | 361694.040341605 | 218875.969300097 | 124359.773940584 | 135436.598948285 | 202794.967737169 | 113983.771731056 | 444182.571717987 | 288779.518834479 | 141484.213506087 | 258417.933490356 | 127478.296336373 | 106110.696711602 | 271751.357727764 | 248132.730723378 | 221495.461928364 | 152891.716995146 | 235354.320470417 | 185801.455912029 | 155644.179524719 | 169204.071391313 | 171261.267829462 | 198854.646867322 | 218613.851732273 | 236446.605376977 | 249022.695360016 | 0 | 0 | 0 | 190590.660517804 | 188979.473960421 | 188661.217594156 | 187287.262542979 | 182742.896081601 | 159247.878611394 | 140683.740741733 | 144183.120507458 | 200546.34601312 | 199051.031229182 | 125017.190943397 | 180210.902087919 | 177093.761755472 | 201708.293731281 | 176678.694244459 | 209647.264255398 | 128174.637816919 | 171184.434854942 | 177187.763632486 | 217857.129244791 | 216010.069884754 | 244350.954795067 | 196560.597123029 | 184767.138253262 | 171482.20522576 | 164628.190302887 | 149308.844787617 | 126895.469231208 | 149490.815816237 | 230972.513675767 | 219311.528327156 | 190993.294506838 | M+Cl, M+FA-H | |||||||||||
| 1.22_346.2442n | 346.244209302678 | 327.226368182678 | 1 | 1.22268333333333 | 0.35525 | 0 | 0.243814774944104 | 9.83989192046076 | D6_MA_VO_M_T1 | Blank | 100 - 12.3 - 0.425 | 2937.23026770131 | 6.03 | 406.024579355691 | 233.363987146295 | 256.118302306319 | 1593.73217231244 | 1737.47925238633 | 1632.56038660548 | 1741.35604881421 | 1581.33933130173 | 2206.16676177081 | 2857.1477303004 | 3052.44965151482 | 332.974383274112 | 3934.98988308221 | 1943.68200707311 | 453.089275829142 | 3380.62547582085 | 1382.16059151688 | 617.634163777663 | 2411.59394622989 | 2812.02000793416 | 3062.44052746847 | 3716.09153024304 | 383.74938356953 | 429.994484552511 | 1824.83154143743 | 2243.36322282374 | 1619.21934001358 | 247.148761393145 | 3330.83344420102 | 210.796728923462 | 1530.73736674473 | 3347.79745627439 | 2331.80121048003 | 219.670030717127 | 1617.69462097342 | 16.2199424859272 | 11.627546603587 | 8.76816194001113 | 1613.19842208566 | 1745.60768212945 | 1662.39138186373 | 1741.35604881421 | 1496.15426350086 | 1353.77051881222 | 1082.61423720979 | 1216.80665661962 | 305.089663772265 | 6298.36939457717 | 1794.15066900999 | 402.63142638409 | 5252.3940338814 | 627.654645474238 | 377.875820340126 | 3573.43099129731 | 1394.75477256048 | 4112.40317793595 | 6205.27400255396 | 307.643500856646 | 374.328442634172 | 2013.13076849674 | 2884.11186235862 | 1271.18347800312 | 228.101628237929 | 3523.09404562128 | 186.010985561819 | 1134.19478253681 | 2516.7376312805 | 2463.62242240875 | 203.75073724335 | 1240.72556808135 | M-H2O-H, M+Na-2H | |||||||||||
| 4.66_969.5074n | 969.507403996126 | 968.499602964589 | 1 | 4.65756666666667 | 0.259933333333334 | 1 | 8.88178419700125E-16 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 46.6 - 50.3 - 22 - 11 - 2.05 | 4871.93566486235 | 12.69 | 0 | 0 | 0 | 2998.2608872188 | 2821.57733494865 | 2804.86235187326 | 3112.99984943078 | 3217.79805030453 | 3770.45736336567 | 4662.13732441375 | 4685.28878309553 | 4808.8301664025 | 1903.89729898478 | 3707.24168799491 | 5093.73170239704 | 1555.30665001539 | 3440.18831514863 | 2685.06314849775 | 1196.01742945779 | 6752.83081258555 | 2195.88848403234 | 2017.02341023322 | 5486.59825373465 | 3427.47191363551 | 1311.32393470837 | 1782.82366039114 | 3393.30333353696 | 5276.25444112566 | 2773.40698954993 | 4434.61395155963 | 5309.25737816507 | 2689.44773271346 | 2206.3663793254 | 3312.61478417247 | 4008.95740044456 | 0 | 0 | 0 | 3034.88240765357 | 2834.77748861979 | 2856.11426035106 | 3112.99984943078 | 3044.45869191455 | 2313.66645052065 | 1766.55067209522 | 1867.7099478534 | 4406.11786462232 | 3047.38991322417 | 3422.03618209839 | 4526.47319272982 | 2416.44140346938 | 1562.22814524 | 1642.75310435851 | 1772.22444733604 | 3349.38690961395 | 2948.7523754763 | 3368.10404916058 | 4398.48600894771 | 2983.7597217991 | 1446.63575814138 | 2292.03314697991 | 2663.94491891933 | 4869.62678766534 | 2933.49211680911 | 3913.18648979277 | 3933.87667164991 | 2021.81715133223 | 2331.09651874478 | 3072.55251103189 | 3074.7558183061 | M-H2O-H, M-H | |||||||||||
| 17.69_1327.3783n | 1327.37833591435 | 1362.41700960857 | 1 | 17.6901166666667 | 0.424499999999998 | 0 | 0.0429513138609667 | Infinity | D0_MA_M_T1 | Blank | 100 - 86.9 | 1128.03828878457 | 20.05 | 0 | 0 | 0 | 1384.94325668449 | 1301.33377501702 | 1500.35353484274 | 1391.33627603078 | 1247.89489487626 | 884.079966765962 | 545.401696065889 | 300.972226488368 | 29.7098318577657 | 2226.36674571138 | 1458.84293461927 | 3.0100117363574 | 971.435485032829 | 23.1283759323126 | 60.2686180133845 | 1440.54770124424 | 253.551261579603 | 629.498494031589 | 1924.67877634774 | 12.6525967845114 | 0 | 613.819334418003 | 1782.62468663052 | 405.747060514621 | 4.11141182838446 | 1228.97072501568 | 6.01907013615663 | 131.686306647142 | 620.986177069862 | 826.203674713291 | 12.4780659425994 | 538.16213784668 | 0 | 0 | 0 | 1401.859305582 | 1307.42179025407 | 1527.76877751971 | 1391.33627603078 | 1180.67212420067 | 542.498153820244 | 206.660521924507 | 119.977411737792 | 27.2218016385796 | 3563.53652459948 | 1346.61123455531 | 2.67480468749704 | 1509.29524207298 | 10.5028552291879 | 36.873046874997 | 2134.56241591408 | 125.760780925839 | 845.323063139242 | 3213.9033920289 | 10.1433105468673 | 0 | 677.157622693056 | 2291.77734240156 | 318.535572561893 | 3.79455566406568 | 1299.90872136935 | 5.31134033203489 | 97.5725328038188 | 466.832089082226 | 872.910559164323 | 11.5737915039019 | 412.754988205321 | M-H2O-H, M+Cl | |||||||||||
| 4.66_1011.5517n | 1011.55165092927 | 1046.48074052268 | 1 | 4.66138333333333 | 0.1419 | 0 | 4.69546623804717E-12 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 17.6 - 0.693 | 813.161255049723 | 0.41 | 0 | 0 | 0 | 425.419355500728 | 383.360248277776 | 392.949211082174 | 443.236914739567 | 378.402783078833 | 435.976920278959 | 470.053617181124 | 337.002243595903 | 793.983584232768 | 257.501870543856 | 619.028730801374 | 830.267914938899 | 122.867931497168 | 236.137533289091 | 173.159081791289 | 104.440052242545 | 801.017056880653 | 285.015854671091 | 274.904657554346 | 909.442317668856 | 456.519883676332 | 69.1872600493673 | 196.082012043715 | 320.980188554178 | 896.504352535266 | 305.247635901123 | 751.09855698346 | 875.223953115986 | 263.666917950141 | 265.18253492201 | 439.147070593227 | 633.187787305269 | 0 | 0 | 0 | 430.615535622089 | 385.153718237289 | 400.129384108973 | 443.236914739567 | 358.018627638854 | 267.528598374159 | 178.110054588862 | 134.340159582891 | 727.491954102843 | 412.159102988451 | 571.405614427709 | 737.805930765073 | 190.896860645107 | 107.232705554907 | 105.94075573964 | 154.756284738428 | 397.302423110213 | 382.733997933481 | 459.046476874969 | 729.080046545888 | 397.419927992648 | 76.3264985455331 | 252.086889531243 | 251.988536928526 | 827.413017904594 | 322.866978039841 | 662.783448073721 | 648.494289576545 | 198.214038691378 | 280.173814186572 | 407.322469521788 | 485.636947122797 | x | x | M-H, M+Cl | |||||||||
| 8.49_771.5829n | 771.582943726671 | 816.562640744629 | 1 | 8.49225 | 0.683466666666668 | 4 | 0 | Infinity | D0_MA_M_T2 | Blank | 100 - 47.6 - 11.9 - 1.64 - 0.0845 | 59491.7042893888 | 2.45 | 0 | 0 | 0 | 33038.0312582132 | 32759.3019619522 | 33742.3075058131 | 33484.2323937706 | 34985.3875163429 | 43506.0457494745 | 59753.3342681518 | 57383.0155593405 | 67784.2458224591 | 36562.0183123018 | 56491.0962012943 | 62492.3123774832 | 7628.11281917567 | 20429.3871720161 | 18348.0503680121 | 10857.0081738552 | 51022.5380403689 | 36189.3043259327 | 30210.9992593527 | 70448.8986655351 | 18905.8126228694 | 15887.7424555779 | 9901.90123453911 | 21495.4119102487 | 50131.4722917854 | 28451.575832128 | 39984.7875664117 | 47516.9542343739 | 34955.9027018169 | 31687.9943244298 | 43153.803344488 | 44672.6520130729 | 0 | 0 | 0 | 33441.5661680687 | 32912.5594377269 | 34358.8645553819 | 33484.2323937706 | 33100.7619027082 | 26696.6229146067 | 22641.3950225303 | 22874.7541420909 | 62107.698987781 | 58521.3949678051 | 52145.1233657727 | 55532.9163872649 | 11851.6098715384 | 9277.21412504988 | 11225.552262278 | 16087.6044418151 | 25307.0491103061 | 48596.865402732 | 50447.5002215506 | 56477.3436646666 | 16458.3120251347 | 17527.1538511888 | 12730.078892214 | 16875.1766965373 | 46267.9658650235 | 30093.8426018348 | 35283.3261725268 | 35207.5298777592 | 26278.4224296966 | 33479.3776536189 | 40026.485258776 | 34262.6481092385 | x | x | M-H, M+FA-H | |||||||||
| 8.37_791.5540n | 791.553979077493 | 790.546702645492 | 1 | 8.36661666666667 | 0.5427 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 44.7 - 11.2 - 2.18 - 1.21 - 0.217 - 0.225 | 100160.827527858 | 8.09 | 0 | 0 | 0 | 64506.8321796064 | 64742.0798449153 | 65798.4298790041 | 65780.7658855108 | 68545.206954773 | 90312.9511099225 | 127705.256702898 | 122823.460006363 | 74950.2365595179 | 44203.9625248811 | 66407.3374090797 | 83612.4278500932 | 59012.056907597 | 141309.598148119 | 99502.8785115177 | 45271.1069119924 | 84857.7320396309 | 51983.8546926383 | 38680.3853697501 | 95140.1101891307 | 85683.1121240582 | 60740.4445988915 | 53961.6090629506 | 81967.5433846178 | 69179.9805047025 | 61690.5364246317 | 81545.8393858957 | 97170.1244683394 | 73318.4374177977 | 48072.371239043 | 65832.6016244955 | 81843.8974041774 | 0 | 0 | 0 | 65294.7350211897 | 65044.9619925555 | 67000.7331235427 | 65780.7658855108 | 64852.7495635689 | 55418.7529239207 | 48389.3526424527 | 48961.4640001114 | 68673.578570069 | 70753.1386250149 | 61298.4883361073 | 74301.0106057216 | 91685.5705683493 | 64170.2753443622 | 60877.0272903474 | 67081.4324702347 | 42089.2192861328 | 69806.6027150195 | 64590.0101733987 | 76271.7487601333 | 74590.7844720995 | 67008.0799994728 | 69374.1054622976 | 64349.3962233406 | 63848.4534805704 | 65251.4048479952 | 71957.5774733381 | 71997.8819258955 | 55117.8119124933 | 50789.9949406421 | 61061.7710201507 | 62771.9316020759 | M-H, 2M-H | |||||||||||
| 1.02_364.2876n | 364.287602330886 | 409.265495099363 | 1 | 1.02091666666667 | 0.148483333333333 | 0 | 0.484108165476268 | 22.7969428329823 | D6_MA_VO_M_T1 | Blank | 100 - 7.46 | 624.937557671892 | 12.04 | 0 | 82.2396532180282 | 0 | 264.798014198351 | 271.423142529324 | 280.39834988205 | 339.526404454369 | 283.231652533397 | 338.256223943232 | 501.81714755849 | 481.805171707781 | 0 | 921.492307512323 | 354.829006141603 | 2.31700549501377 | 817.452357155969 | 56.6839993978897 | 2.98930602828411 | 537.828704157213 | 571.724162633774 | 678.15095271001 | 862.387540347402 | 6.39651909713077 | 0.21033153728068 | 374.349026601765 | 513.631757673919 | 214.007601316632 | 0.203285825882676 | 661.231927323736 | 0 | 206.358803885808 | 697.156761518473 | 411.676472803574 | 4.29615178714417 | 194.93020070398 | 0 | 4.09765625000225 | 0 | 268.032324437794 | 272.69293837965 | 285.521934843673 | 339.526404454369 | 267.974264668044 | 207.564229374726 | 190.145711634488 | 192.063361253754 | 0 | 1474.94634533286 | 327.531302155622 | 2.05897441666432 | 1270.05547181051 | 25.7408406552083 | 1.82889246407064 | 796.939203819617 | 283.573730688858 | 910.656095369234 | 1440.04821751368 | 5.12794967911957 | 0.183102527161632 | 412.977048289726 | 660.335085339789 | 168.008694213409 | 0.187619098797623 | 699.39920592089 | 0 | 152.900872339423 | 524.09402884479 | 434.9493364266 | 3.98481345444502 | 149.505896149376 | M+Cl, M+FA-H | |||||||||||
| 13.05_812.6905n | 812.690541533705 | 857.6850317472 | 1 | 13.0531 | 0.336450000000001 | 0 | 6.88327162072788E-5 | 235.212368541901 | D6_MA_VO_M_T1 | Blank | 100 - 50 - 13.5 - 6.31 - 2.86 - 0.534 | 81494.6397976866 | 6.32 | 266.85038198592 | 0 | 772.567404198685 | 54831.5532534313 | 54581.1956042035 | 54580.9027653092 | 54763.6525475317 | 56618.808844233 | 74267.9662300613 | 103525.552885908 | 100257.106375037 | 65645.0864807509 | 40606.0096069022 | 64917.4204010855 | 70988.2177112259 | 33615.7861452919 | 83436.0196953843 | 64512.3011667349 | 31126.1330254956 | 100854.705489002 | 62134.5741063708 | 36238.7261371773 | 86305.6913583675 | 53266.5084598665 | 38030.907961022 | 36004.3299065951 | 56688.6267643828 | 73897.9733844206 | 50124.7725994894 | 64122.0682793307 | 81175.4917652428 | 53382.8644277277 | 42042.6548420759 | 48102.4545338991 | 58813.7100544848 | 10.6601867675789 | 0 | 26.448699872633 | 55501.2797793987 | 54836.5422008061 | 55578.2335010919 | 54763.6525475317 | 53568.8138338452 | 45573.0658790714 | 39227.3162079429 | 39965.7744887047 | 60147.6821303287 | 64994.2327027517 | 59923.1936186923 | 63082.6834319366 | 52228.0139745124 | 37889.233482062 | 39469.3819660286 | 46121.8143984948 | 50023.6774343967 | 83437.5125730068 | 60512.8327315424 | 69189.3881010772 | 46370.755608859 | 41955.2102381426 | 46287.8743501817 | 44503.9433218259 | 68202.8425206464 | 53018.0481377214 | 56582.5151927821 | 60146.7117940632 | 40131.0609514352 | 44419.4070665258 | 44616.512059023 | 45108.4357160147 | M+Cl, M+FA-H | |||||||||||
| 14.47_834.8123n | 834.812252311394 | 833.808006471668 | 1 | 14.4661333333333 | 0.477866666666667 | 0 | 0.16021519832031 | 343.311360702583 | D20_VO_MA_M_T1 | Blank | 100 - 44.3 - 3.52 | 2991.49726946563 | 7.15 | 0 | 24.2767222254198 | 1.86424727244557 | 1818.77133703503 | 1779.8217756845 | 1995.68373367233 | 1860.35707605252 | 1812.84733098918 | 1766.30629929655 | 2110.02662425493 | 2067.38204521287 | 9.73463187308204 | 4921.37671208133 | 1422.44816144796 | 12.5243851556407 | 3645.4366713646 | 374.067033132819 | 2.79598640072502 | 3145.13322749565 | 1901.9838185322 | 3801.48787205661 | 4417.15664794461 | 37.2115329612549 | 65.0056696002971 | 1761.41211117005 | 2434.50703829115 | 992.029327415939 | 2.56100979571036 | 3960.40214058624 | 0.154306874740029 | 796.73165731313 | 3524.12242328134 | 2458.87211564991 | 20.7487405533802 | 917.246996418221 | 0 | 1.20960702853199 | 0.0638221549722631 | 1840.98627235615 | 1788.14829598053 | 2032.14990820689 | 1860.35707605252 | 1715.19117348641 | 1083.85886172117 | 799.519338844247 | 824.126364588024 | 8.91941156524481 | 7877.18631649409 | 1313.0163839593 | 11.1296191033683 | 5663.82462668945 | 169.86804030269 | 1.7106172501399 | 4660.36853528431 | 943.379136971172 | 5104.83409088555 | 7375.93977156597 | 29.8316733852648 | 56.5901934514212 | 1943.16726584311 | 3129.85010928956 | 778.802018690754 | 2.3636392148677 | 4189.00237238133 | 0.136163279173932 | 590.335682944856 | 2649.29155235747 | 2597.87689050205 | 19.2450976167347 | 703.502246930329 | M-H2O-H, M-H | |||||||||||
| 17.69_1399.4477n | 1399.44773200898 | 1380.42989088898 | 1 | 17.6901166666667 | 0.489216666666668 | 0 | 0.500469180970863 | 12.7910094355016 | D6_VO_MA_M_T2 | Blank | 100 - 72.2 - 16.8 - 1 | 2332.7641799742 | 21.27 | 348.895602433475 | 0 | 198.23029683283 | 2865.99222010094 | 2811.44995953523 | 3196.02908639619 | 2636.60233141494 | 2703.93082617651 | 1593.63700685427 | 1325.51165453142 | 1048.97972646269 | 46.7342888719083 | 4038.97811377494 | 2950.7686726717902 | 38.3538162579735 | 2026.8654781044 | 101.987440865177 | 160.703810239595 | 2727.84218796751 | 571.24054185804 | 1268.07772402527 | 3725.36224126501 | 106.508573401623 | 20.2119237217683 | 1420.58214140951 | 3628.57560096602 | 1036.95275898238 | 21.8842533468524 | 2278.06713037508 | 53.8514523326979 | 360.365084982805 | 1209.02130492308 | 1637.14783818899 | 36.6888373541566 | 1063.21364802845 | 13.9377439022143 | 0 | 6.78637695313137 | 2900.99817742165 | 2824.60273441931 | 3254.42859755899 | 2636.60233141494 | 2558.27294858038 | 977.903771805436 | 502.25536942479 | 418.157761647399 | 42.8205567598537 | 6464.8136063926 | 2723.76014641405 | 34.0825805664057 | 3149.09067000117 | 46.3136421570268 | 98.3204746231154 | 4042.03859820193 | 283.333856014012 | 1702.84020714097 | 6220.75459597359 | 85.3855974639901 | 17.5953371524845 | 1567.16801146246 | 4664.96812809408 | 814.06958409791 | 20.1976890074224 | 2409.56051300704 | 47.5195311307583 | 267.01131629466 | 908.89292284305 | 1729.69895754111 | 34.0300296545091 | 815.454499470464 | M-H2O-H, M+Cl | |||||||||||
| 14.78_1546.9969n | 1546.99691718341 | 1546.01122865448 | 1 | 14.7792666666667 | 0.205583333333333 | 0 | 4.56301663120939E-14 | Infinity | D20_MA_VO_M_T2 | Blank | 100 - 85.4 - 39.1 - 5.79 | 3982.5534139847 | 8.49 | 0 | 0 | 0 | 1436.55734884751 | 1533.7658819568 | 1556.82622671419 | 1523.5638645276 | 1582.64334242016 | 1685.39293752747 | 1824.30850327449 | 1794.10674585489 | 3789.82465408325 | 1650.47391968986 | 2803.57143238254 | 4462.23064909842 | 324.369261400402 | 1010.64679580694 | 709.637742791566 | 270.425945965472 | 4477.68470295357 | 1329.50825491247 | 1379.15936993133 | 3988.15941264604 | 902.115361865292 | 345.33301822319 | 249.162046558178 | 867.828788476 | 3409.64223506769 | 1607.67177722752 | 3382.655734839 | 4582.45109313039 | 437.574058983761 | 368.768890644917 | 808.540445665174 | 1141.36124628895 | 0 | 0 | 0 | 1454.10382538356 | 1540.94128171871 | 1585.27336788463 | 1523.5638645276 | 1497.38802892734 | 1034.20798054614 | 691.256646536859 | 715.189857417959 | 3472.44829497366 | 2641.75886881315 | 2587.88708375239 | 3965.29864409945 | 503.964483951097 | 458.94605895666 | 434.164688302782 | 400.709438533228 | 2220.92022526313 | 1785.33229414703 | 2302.97389447075 | 3197.22031151748 | 785.329697507222 | 380.966959731164 | 320.327625422811 | 681.297209331073 | 3146.86968748581 | 1700.46895485712 | 2984.91883753188 | 3395.35196172247 | 328.950336781164 | 389.616106037011 | 749.946232344663 | 875.391475206716 | x | x | M-2H, M-H | |||||||||
| 13.07_301.0130n | 301.013023240611 | 300.005746808611 | 1 | 13.0684166666667 | 0.336349999999999 | 0 | 0.018322383685055 | 4.24419609059963 | Blank | D20_VO_MA_M_T1 | 100 | 948.795419600649 | 1.18 | 1226.15610988402 | 622.81955769872 | 997.410591219209 | 287.704221332825 | 264.235190059916 | 301.388873462705 | 330.885948439899 | 357.775642159703 | 272.474832109338 | 206.14231852187 | 203.535135170787 | 408.367586436741 | 186.146162660185 | 437.613531613275 | 464.181750809173 | 157.425370144118 | 374.797554964454 | 503.367479274371 | 218.761346360896 | 382.71339331603 | 222.301186177546 | 191.663734618387 | 536.822392598216 | 390.966411546572 | 300.565149879201 | 217.281427689032 | 405.307358099689 | 402.989631513414 | 280.144249365366 | 411.614834108038 | 511.97877808913 | 181.447741486052 | 265.654795412332 | 410.242295083694 | 417.151641747261 | 48.9827034921064 | 31.0324807238892 | 34.1461641192384 | 291.218313807441 | 265.471358592642 | 306.896008224102 | 330.885948439899 | 338.502648861177 | 167.198781714876 | 78.1102798978299 | 81.1357878446516 | 374.16911300024 | 297.946711084948 | 403.94704877373 | 412.488598605097 | 244.587896778411 | 170.199778469775 | 307.966123505786 | 324.154311303545 | 189.824869789066 | 298.517504681529 | 320.047549954211 | 430.35878953336 | 340.352849197132 | 331.579621143019 | 279.341275051913 | 318.190380016766 | 371.932234630905 | 296.314587141091 | 363.216646459921 | 379.348980101758 | 136.405014064678 | 280.672772471672 | 380.51239761214 | 319.943394119403 | M-H, M+FA-H | |||||||||||
| 4.70_1647.0631n | 1647.06306088711 | 1646.05578445511 | 1 | 4.70335 | 0.157133333333333 | 0 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 78 - 28 - 1.1 | 1446.83854231638 | 7.97 | 0 | 0 | 0 | 921.793981452484 | 765.866760771062 | 706.176576279661 | 941.034588960836 | 827.598185480899 | 887.993404659547 | 908.955120438358 | 1054.35587632039 | 606.126165840185 | 351.979566317658 | 326.178867357294 | 556.226141168978 | 1028.21013494816 | 1865.46694968461 | 1231.8590632742 | 967.1174392309 | 297.971130743706 | 243.423479722903 | 386.65355171813 | 824.003512593097 | 1741.25278095594 | 949.95305138293 | 1087.71689714207 | 1758.45398914531 | 288.605256838625 | 387.065149348468 | 855.506247154908 | 718.666489950917 | 1088.21980053438 | 972.068349543503 | 1283.5680623512 | 1508.26169890623 | 0 | 0 | 0 | 933.053007400599 | 769.449706667522 | 719.080203166192 | 941.034588960836 | 783.016351495887 | 544.899557440016 | 344.416126592043 | 420.300871503641 | 555.366530966802 | 563.380693186236 | 301.085275758279 | 494.282554362279 | 1597.50460883774 | 847.129489969909 | 753.665812835002 | 1433.04698329274 | 147.792923065062 | 326.881610473005 | 645.649121649795 | 660.585622247347 | 1515.83442379727 | 1047.97603117927 | 1398.39022678934 | 1380.49095795227 | 266.363175893877 | 409.407118603077 | 754.914751287993 | 532.493555716736 | 818.079277160715 | 1027.02124490116 | 1190.54901641475 | 1156.79364258795 | x | x | M-H, M+Na-2H | |||||||||
| 4.47_803.5781n | 803.578114887653 | 848.553515753001 | 1 | 4.46625 | 0.286483333333334 | 1 | 5.96468107239012E-7 | 379.702129382904 | D0_VO_M_T1 | Blank | 100 - 51.3 - 3.17 - 0.00657 | 19783.1232622753 | 2.57 | 0 | 156.305074936718 | 0 | 9466.01791155044 | 9157.43978334423 | 8915.38433721363 | 8997.19599833042 | 10179.8135386159 | 11542.4586025704 | 14771.935405605 | 15073.0308373663 | 4901.70973245946 | 3656.11266397469 | 4064.12710113468 | 4600.99842493342 | 8571.12989999838 | 30995.1166245523 | 22818.236035404 | 10670.6812482555 | 4469.6172301072 | 4309.8275535973 | 3182.05088563857 | 7094.92030028793 | 16559.3382219939 | 15549.3732854173 | 10536.6368514923 | 18105.8584769255 | 4463.38440575302 | 6135.69586154726 | 6465.73947599201 | 5947.51977847101 | 12474.2049157416 | 13024.3107786793 | 17404.022326297 | 16517.4441341313 | 0 | 7.78802490233636 | 0 | 9581.63825995359 | 9200.28093140603 | 9078.29089189361 | 8997.19599833042 | 9631.4378109513 | 7082.80101102967 | 5597.29810665756 | 6008.60500655207 | 4491.21929284932 | 5851.99677511422 | 3751.46568775546 | 4088.61268065074 | 13316.7521431645 | 14075.2305164956 | 13960.4642461081 | 15811.5105282887 | 2216.91877924808 | 5787.45884819536 | 5313.51218740444 | 5687.84267267491 | 14415.606502819 | 17153.8693193879 | 13546.1074798682 | 14214.1756722949 | 4119.40260054357 | 6489.85724374626 | 5705.48973154095 | 4406.79508341893 | 9377.59865756285 | 13760.6001431695 | 16142.7681709987 | 12668.4078631852 | x | x | M+Cl, M+FA-H | |||||||||
| 17.97_808.9063n | 808.906272504524 | 829.880940324524 | 1 | 17.9728 | 0.435916666666667 | 0 | 0.00203512992282373 | 8.68691612817231 | Blank | D20_VO_MA_M_T1 | 100 - 49.4 - 2.6 | 23229.7356344633 | 8.71 | 19627.3431708104 | 20442.8004257565 | 29619.0633068229 | 3243.27399548545 | 3220.97870472716 | 3089.03558186725 | 3177.56467218208 | 3040.2388296232 | 3746.9853370749 | 4099.38839058328 | 5199.21127134898 | 4803.9409735678 | 1735.32939066621 | 4045.05776022931 | 5043.45592783437 | 1567.85978467183 | 4966.15722808821 | 5913.06711416511 | 1872.27853726877 | 5852.95151412072 | 2650.18373620897 | 730.340087122216 | 4805.7936930295 | 3786.46594963772 | 3001.50633163152 | 2300.10016503197 | 3372.07097381942 | 4324.76745452636 | 3372.80143726595 | 5440.22171968301 | 4809.14350035631 | 2884.82010796674 | 2463.39214404926 | 3411.67870527448 | 5994.56035490275 | 784.076614000286 | 1018.57882000148 | 1014.0030651736 | 3282.88816829061 | 3236.04737335702 | 3145.48005188581 | 3177.56467218208 | 2876.46439759217 | 2299.26330667865 | 1553.31703307879 | 2072.57632603689 | 4401.6381140079 | 2777.57906587582 | 3733.86338932472 | 4481.79633122677 | 2435.94489773326 | 2255.18776435681 | 3617.68376416384 | 2774.28883078612 | 2903.04906609901 | 3558.80348406608 | 1219.55025024534 | 3852.69985938755 | 3296.27926155903 | 3311.22331614542 | 2957.05399067377 | 2647.27625383796 | 3991.46850895458 | 3567.48449292244 | 4800.55363724585 | 3563.31895011783 | 2168.69013732816 | 2602.65244480938 | 3164.43735710241 | 4597.65656960594 | M+Na-2H, M+Cl | |||||||||||
| 13.08_678.5079n | 678.507880249171 | 699.482548069171 | 1 | 13.0760333333333 | 0.1601 | 0 | 5.200201179556E-6 | 12.3279695058636 | Blank | D20_VO_MA_M_T1 | 100 - 26.9 | 4630.64048362552 | 4.57 | 3366.71978259621 | 5749.1156137098 | 4776.08605457056 | 504.741364703579 | 518.333829830823 | 438.318662874173 | 491.553897905637 | 397.67973705177 | 433.756681907654 | 485.089941170272 | 421.33141786449 | 610.032274953391 | 211.443538594508 | 541.646739698401 | 689.107998777164 | 228.65641633918 | 779.594674622533 | 662.355646829182 | 343.131164060946 | 556.67165653144 | 275.122182093141 | 322.519365196722 | 682.511633733656 | 591.638151480488 | 510.963509178719 | 320.457815781428 | 476.742208941031 | 521.301863957875 | 427.820158125645 | 414.41331658135 | 710.907732030144 | 321.008164033098 | 430.233227572069 | 645.133523269522 | 604.778082209171 | 134.49432378355 | 286.454266338507 | 163.508408375352 | 510.906404003716 | 520.75874518649 | 446.327850198013 | 491.553897905637 | 376.257152605015 | 266.16619309098 | 183.807533320296 | 167.956537348968 | 558.945525555778 | 338.437849075639 | 499.976774421216 | 612.366152283336 | 355.25780823059 | 354.022696144737 | 405.236947826272 | 508.441952946592 | 276.107725942808 | 369.448263831518 | 538.555365466074 | 547.154672729701 | 515.046112921957 | 563.688394544345 | 411.98686796577 | 374.270986207135 | 481.126441022726 | 452.514566380778 | 365.68607985956 | 526.744729730067 | 241.320849580138 | 454.555140270141 | 598.381265562031 | 463.847514780387 | M+Na-2H, M+FA-H | |||||||||||
| 4.41_831.5145n | 831.514503722889 | 1662.08902503241 | 1 | 4.41295 | 0.275066666666667 | 0 | 5.99520433297585E-15 | Infinity | D0_VO_M_T1 | Blank | 100 - 76.6 - 29.5 - 12.1 - 1.55 | 8373.0880153404 | 4.84 | 0 | 0 | 0 | 5217.32415674329 | 5194.42699350151 | 4922.33372905519 | 5079.97418759443 | 5024.94358000434 | 6002.55162464377 | 7503.38853975103 | 7606.09396010371 | 409.883495931386 | 206.814392417743 | 239.126406354182 | 397.897960680197 | 5456.72021821205 | 11289.4558124687 | 11150.7280935482 | 5501.38941428374 | 230.07978813323 | 1319.94941778198 | 542.2956202367 | 3013.19478181648 | 8499.49436886566 | 5698.85718187876 | 6578.63267573166 | 9467.44563074352 | 951.029152379478 | 3167.37237858643 | 5397.26752845398 | 4315.01935183009 | 6083.73262528398 | 5498.76801524282 | 7782.33043110618 | 8333.3077171626 | 0 | 0 | 0 | 5281.04987989016 | 5218.72802317681 | 5012.27717943885 | 5079.97418759443 | 4754.25521408238 | 3683.34686565971 | 2843.14149188121 | 3032.03879445987 | 375.558073656862 | 331.02840877997 | 220.729934411629 | 353.586438722953 | 8477.97099196201 | 5126.66865852079 | 6822.14613901444 | 8151.80161607622 | 114.1189897878 | 1772.49619436315 | 905.54629415535 | 2415.6124573241 | 7399.17046514316 | 6286.90620344703 | 8457.61949966157 | 7432.50785566397 | 877.735728622241 | 3350.19776707566 | 4762.65005361185 | 3197.19929866142 | 4573.50214183511 | 5809.62395811926 | 7218.35180535444 | 6391.4089948273 | x | x | M+Na-2H, 2M-H | |||||||||
| 7.86_767.5513n | 767.551314425839 | 748.533473305839 | 1 | 7.85791666666667 | 0.553333333333334 | 14 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 42.2 - 6.69 - 0.0129 | 12820.3198538059 | 0.11 | 0 | 0 | 0 | 7095.85195554332 | 7072.73821054431 | 7025.54696923655 | 7280.3551318991 | 7192.78662692139 | 8720.21845513593 | 11118.6904452562 | 10770.3291531649 | 5381.90363643136 | 3577.12337865911 | 5251.28834432984 | 4471.48780010817 | 5268.22460287638 | 20372.4151047353 | 12671.7904272087 | 6936.99075606632 | 6815.39982290195 | 6826.3862222145 | 3711.38698645564 | 6511.0593626833 | 12176.2422328642 | 10425.1230615765 | 8979.29660537558 | 11137.676408028 | 6943.76122763537 | 4521.89811348482 | 5391.478124003 | 6189.0069186151 | 8060.80307536652 | 7291.76397872904 | 8610.81852805905 | 8992.53585914359 | 0 | 0 | 0 | 7182.52249462142 | 7105.82652256701 | 7153.92142940687 | 7280.3551318991 | 6805.31886186739 | 5350.98926641869 | 4213.0312155393 | 4293.40683835739 | 4931.19967592784 | 5725.56603147492 | 4847.29624591795 | 3973.52488143091 | 8185.11002511342 | 9251.34246953423 | 7752.7499022599 | 10279.0346578965 | 3380.42097960881 | 9166.82369575979 | 6197.41817257231 | 5219.77410879254 | 10599.9354780279 | 11500.8621475783 | 11543.9602431402 | 8743.73834561017 | 6408.62302198436 | 4782.90871801484 | 4757.54137458613 | 4585.72418017419 | 6059.78309712107 | 7703.98143554062 | 7986.80010028303 | 6897.01815019582 | x | x | M-H2O-H, M+Na-2H | |||||||||
| 17.27_1269.3041n | 1269.30414570077 | 1268.29413437677 | 1 | 17.2656166666667 | 0.419916666666666 | 0 | 0.0015810681874433 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 66.1 - 18.9 - 3.77 | 2058.96045110615 | 15.61 | 0 | 0 | 0 | 2201.56037522825 | 2194.79524242191 | 2433.97885220599 | 2198.08425348634 | 2234.87065673695 | 1373.75851820621 | 988.864192340804 | 630.4902010494 | 39.2425589279645 | 3061.36150376393 | 2123.26734455404 | 55.7440231294726 | 2135.66922699117 | 126.701873185456 | 165.298995047436 | 2446.47724561141 | 400.99794812336 | 321.272099177763 | 3623.18725830118 | 31.7323364306049 | 31.1730368299031 | 1403.46218999509 | 2854.67846308591 | 1263.2424391264 | 16.5786841520437 | 1436.20972951688 | 41.9200377725682 | 427.767258914859 | 1125.03953027941 | 1430.98300464339 | 46.0583922575988 | 769.74153389267 | 0 | 0 | 0 | 2228.45079314135 | 2205.06312844361 | 2478.45378384991 | 2198.08425348634 | 2114.48055155719 | 842.979694074428 | 374.694819571882 | 251.334095941476 | 35.9562167851211 | 4900.0343517886 | 1959.92014787191 | 49.536143851418 | 3318.13635861832 | 57.5367434024893 | 101.131862546117 | 3625.12006743033 | 198.893962473226 | 431.420754065367 | 6050.13884005453 | 25.4391211760823 | 27.1374511718657 | 1548.28150048053 | 3670.0307533091 | 991.720440614528 | 15.3010066803774 | 1519.10986577055 | 36.9910272359839 | 316.952733853407 | 845.758848769573 | 1511.87922901865 | 42.7205811739228 | 590.369770371193 | M-H2O-H, M-H | |||||||||||
| 14.68_790.7833n | 790.783343792842 | 789.776067360842 | 1 | 14.6764833333333 | 0.263633333333333 | 0 | 2.66951995075981E-6 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 51.5 - 15 - 0.897 | 4228.34007835175 | 19.04 | 0 | 0 | 0 | 1954.8422582631 | 1983.98184260443 | 2079.61378575273 | 2044.25365178337 | 2144.3701707254 | 2281.94119835108 | 3093.06842435095 | 2908.45478352456 | 120.4872331498 | 4508.79612885441 | 1550.90895768152 | 166.373389932758 | 2923.87293460349 | 1151.43420842158 | 389.029241831577 | 3003.80526354468 | 2558.48290023713 | 5898.19725646638 | 4212.78410126132 | 339.47468821549 | 326.743796599192 | 1862.66530339813 | 2098.12300182788 | 1497.09565358721 | 90.7909011278993 | 3697.37763660058 | 92.3262352357379 | 1277.84957263155 | 3136.5086147532 | 2089.11287767453 | 161.917894762792 | 1232.30600316414 | 0 | 0 | 0 | 1978.71919839627 | 1993.26348265687 | 2117.61357399381 | 2044.25365178337 | 2028.85523046712 | 1400.26800037143 | 1172.00797052042 | 1159.40557424545 | 110.397109498546 | 7216.80725697847 | 1431.59443462051 | 147.84537810655 | 4542.74892837982 | 522.87920398643 | 238.012649744426 | 4450.9527971544 | 1269.0010119244 | 7920.40365323802 | 7034.67055350485 | 272.149444419653 | 284.444338044564 | 2054.86848979406 | 2697.38817891582 | 1175.30912137844 | 83.7938748295789 | 3910.79570748259 | 81.470400879169 | 946.81840897877 | 2357.89929489028 | 2207.21445089322 | 150.183847669657 | 945.143506075245 | M-H, M+Na-2H | |||||||||||
| 4.84_753.4991n | 753.499137915245 | 798.535697054289 | 1 | 4.8404 | 0.84055 | 4 | 0 | Infinity | D0_VO_M_T1 | Blank | 100 - 43.1 - 18 - 4.42 | 24652.2393970632 | 2.95 | 0 | 0 | 0 | 16230.3799440639 | 15878.9326712087 | 15626.1604640267 | 16026.5169131405 | 16003.929082419 | 19258.7658184502 | 26682.4529476885 | 25309.1852879482 | 15441.5901555183 | 9690.38347136219 | 11690.1149282765 | 12188.2647157474 | 8969.19302749338 | 40335.2857666331 | 26638.3941647283 | 14300.2697362461 | 15238.450032473 | 9708.27135791987 | 10360.1266153986 | 20118.1174517959 | 20047.95581916 | 19003.3111062931 | 12878.2747211222 | 25487.3910499892 | 19604.9710171677 | 13126.1131956776 | 14445.3244218251 | 15245.3506781756 | 18254.8160081057 | 19473.2595768383 | 25118.425749086 | 23706.172163336 | 0 | 0 | 0 | 16428.6219293826 | 15953.2189042307 | 15911.689821796 | 16026.5169131405 | 15141.8144451742 | 11817.7600376861 | 10110.3639614081 | 10089.0722691237 | 14148.4444008352 | 15510.4883344547 | 10790.7710433326 | 10830.930391517 | 13935.21296082 | 18316.706208628 | 16297.681763543 | 21189.7310238734 | 7558.23246251731 | 13036.7677760512 | 17299.7418999245 | 16128.2554409479 | 17452.5961364242 | 20964.2092558637 | 16556.5631601779 | 20009.11772699 | 18094.0652316674 | 13883.771739579 | 12746.825086833 | 11295.9920968692 | 13723.2263898153 | 20574.1204332802 | 23298.1155784469 | 18181.956929974 | M-H2O-H, M+FA-H | |||||||||||
| 1.03_442.2945n | 442.294532734763 | 441.286752061481 | 1 | 1.02851666666667 | 0.2132 | 0 | 0.0501909094797105 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 8.9 | 927.187987655567 | 10.82 | 0 | 0 | 0 | 517.444897538408 | 504.104576061433 | 465.133930073304 | 494.395089953043 | 404.868532146088 | 593.717495174819 | 659.997583490253 | 774.379782406957 | 5.56264139310689 | 1431.17199871227 | 530.816730148477 | 6.5226880148125 | 1202.04339967781 | 111.274151074355 | 10.5915366258637 | 814.57319254118 | 856.225355919033 | 998.150619392101 | 1346.91637511264 | 4.91794821974788 | 25.7164822591877 | 532.889262423961 | 737.014951497681 | 394.891761371045 | 12.0071821364522 | 1007.93098040474 | 0 | 346.426212560623 | 942.725206854406 | 649.881905715648 | 0 | 327.565818806198 | 0 | 0 | 0 | 523.765101016982 | 506.462922858424 | 473.633099951681 | 494.395089953043 | 383.058694953896 | 364.322976575697 | 250.082546601636 | 308.693207606822 | 5.09680166870846 | 2290.74284379218 | 489.979939131969 | 5.79629516601648 | 1867.58504486547 | 50.5308415474152 | 6.48002624511793 | 1207.01127793806 | 424.685599030535 | 1340.36816141536 | 2249.13328912381 | 3.94261169433466 | 22.3872889070405 | 587.876604512316 | 947.520910891358 | 310.013517162049 | 11.0818188221358 | 1066.11023785759 | 0 | 256.683354934897 | 708.702373735453 | 686.620981086635 | 0 | 251.233626763126 | M-H2O-H, M-H | |||||||||||
| 13.07_660.5556n | 660.555619791588 | 695.550068269351 | 1 | 13.0722333333333 | 0.0952666666666673 | 0 | 0.0571812374396523 | 4.62190684226801 | Blank | D20_VO_MA_M_T1 | 100 - 15.1 | 1045.5650979018 | 4.78 | 1016.99406120887 | 855.546581810487 | 1264.15465068603 | 297.369634672858 | 276.637227458702 | 295.942253434792 | 271.129740512896 | 292.383775420302 | 292.132821289896 | 314.663064842525 | 279.820167476104 | 551.866270761662 | 166.666193758973 | 379.350864426465 | 549.814494131995 | 135.788619841695 | 611.214100224943 | 439.200102088893 | 184.297472380562 | 397.384380480602 | 189.076068795857 | 235.462335621539 | 577.638658007804 | 384.738569621757 | 341.45245012209 | 184.101361571157 | 357.862380347654 | 441.37220219014 | 279.546959793035 | 293.976649323831 | 470.392889888731 | 149.233247049867 | 303.205598467291 | 383.199843032326 | 462.277537186004 | 40.6270605772533 | 42.6282901367499 | 43.2780968584449 | 301.001782962313 | 277.931416304204 | 301.349864712979 | 271.129740512896 | 276.633372429599 | 179.261517258225 | 119.230346513014 | 111.545506499139 | 505.650594914757 | 266.766951141423 | 350.166644915935 | 488.584934202879 | 210.971413966622 | 277.559186494037 | 268.707770074149 | 273.086727743709 | 197.101642112245 | 253.901102474788 | 393.184155428328 | 463.080298205763 | 334.931248566338 | 376.685966737467 | 236.684329751743 | 280.943250895824 | 407.356757165297 | 295.682821136864 | 259.410506757635 | 348.536053959924 | 112.187470596428 | 320.346394721232 | 355.429688221393 | 354.55366699014 | M+Na-2H, M+Cl | |||||||||||
| 2.05_316.2540n | 316.25400863258 | 297.23616751258 | 1 | 2.05201666666667 | 0.164866666666667 | 0 | 0.00997001029885802 | 12.5821710452886 | D20_MA_VO_M_T2 | Blank | 100 - 3.72 | 306.101352018989 | 1.86 | 35.3794686018479 | 37.6050785602914 | 0 | 195.134753094918 | 244.912005496872 | 169.406894243901 | 182.57444678831 | 210.446309533931 | 272.117809059464 | 356.08505226222 | 293.666719323956 | 283.521457760748 | 178.418769324978 | 329.681840128659 | 255.636137026065 | 203.174856500097 | 313.546554302463 | 155.408692705719 | 202.538583247296 | 348.458574965092 | 188.336063796398 | 217.321765810621 | 130.087774405315 | 241.496732210387 | 312.160886018315 | 159.544290174407 | 285.882823256023 | 274.968150404416 | 267.814377520527 | 77.6030558612439 | 534.599648176733 | 230.65261685161 | 221.722729040885 | 173.053336948163 | 296.429442108393 | 1.41334533691352 | 1.87370300292832 | 0 | 197.518178559481 | 246.057774591492 | 172.502385412477 | 182.57444678831 | 199.109790678529 | 166.979701594628 | 134.925731402815 | 117.065196709699 | 259.778140798419 | 285.578197028133 | 304.318757839399 | 227.167465612089 | 315.667740111525 | 142.385011255747 | 95.0808596548105 | 300.115884533881 | 172.834567001974 | 252.907385573459 | 362.89232722036 | 104.288528008669 | 210.233151626661 | 344.371888634534 | 205.113275987651 | 224.43501790492 | 253.777046938333 | 283.273016973284 | 68.478391372952 | 396.109838879488 | 173.39523318408 | 234.257141804268 | 160.512314176414 | 227.352915184117 | M-H2O-H, M+Na-2H | |||||||||||
| 4.42_939.6103n | 939.610290095862 | 938.603013663862 | 1 | 4.42438333333333 | 0.171316666666666 | 0 | 0 | Infinity | D6_MA_VO_M_T1 | Blank | 71.2 - 100 | 1215.84228203172 | 1.48 | 0 | 0 | 0 | 894.178513542671 | 818.052155327816 | 862.436709324179 | 869.346900318509 | 935.85432445789 | 1017.54034162526 | 982.136558919431 | 1071.68936784632 | 848.976462521677 | 569.091858076534 | 1206.92877589741 | 1067.39362241532 | 453.303757836434 | 1059.04665599606 | 1028.15147080828 | 581.087720930719 | 1466.69505292015 | 964.989511143291 | 635.387808761801 | 1212.91898442228 | 857.618513902638 | 529.788939727457 | 740.796252332678 | 1020.85418482423 | 1126.85318494946 | 732.998502082831 | 1133.30552991576 | 1239.19578325253 | 624.659740136977 | 611.72489781486 | 812.442340946234 | 1049.32307502451 | 0 | 0 | 0 | 905.100237147722 | 821.879239571648 | 878.195602898637 | 869.346900318509 | 885.440847411788 | 624.393468374402 | 372.145622816158 | 427.210570361652 | 777.879490171107 | 910.891983997868 | 1114.07733510098 | 948.524362930237 | 704.286816219413 | 480.924978971063 | 629.035120222791 | 861.039178623899 | 727.477016230083 | 1295.83771397545 | 1060.9952470658 | 972.370663249676 | 746.593303440856 | 584.456368248927 | 952.382225582803 | 801.431245990439 | 1040.00944541735 | 775.308252843845 | 1000.05004650159 | 918.178011748389 | 469.593724017626 | 646.306884064162 | 753.565360714459 | 804.800826732822 | M-H, M+Na-2H | |||||||||||
| 5.57_927.6088n | 927.608789216317 | 926.601512784317 | 1 | 5.56986666666667 | 0.290466666666666 | 0 | 0 | Infinity | D0_VO_M_T2 | Blank | 100 - 31.6 - 0.258 | 1504.96759441479 | 1.96 | 0 | 0 | 0 | 887.825454566311 | 733.88585577329 | 905.288976127786 | 892.197709942408 | 875.639453290943 | 811.874378788334 | 769.519039822582 | 945.828258571825 | 978.268017222313 | 770.139475764594 | 1122.00572522017 | 976.638466900037 | 649.373464617856 | 1879.5550227504 | 1746.78866331985 | 1263.14652550973 | 687.593338831152 | 379.37998853292 | 647.781235657891 | 1210.7707845027 | 1198.70450222671 | 1144.60655959377 | 1012.38187536651 | 1334.68466021979 | 521.962275988791 | 258.215157866021 | 343.808205658212 | 513.24035254177 | 931.432679816272 | 641.356478729391 | 1318.68830122829 | 1355.83838617014 | 0 | 0 | 0 | 898.669580294501 | 737.319185759782 | 921.830888681703 | 892.197709942408 | 828.469687307636 | 498.190625490357 | 291.581796587168 | 377.038199623699 | 896.343609135292 | 1232.69005711192 | 1035.68758429171 | 867.876067624729 | 1008.91546127024 | 853.527042150023 | 1068.70577734173 | 1871.69442345901 | 341.044547410632 | 509.45102655684 | 1081.69027276551 | 970.648498284477 | 1043.52312789328 | 1262.715286654 | 1301.53804175599 | 1047.80683289108 | 481.735956760174 | 273.119716253226 | 303.382806295562 | 380.283739514477 | 700.213112326924 | 677.613595298535 | 1223.12412254102 | 1039.88931538586 | x | x | M-H, M+Na-2H | |||||||||
| 4.41_1571.0312n | 1571.03118194468 | 1570.02390551268 | 1 | 4.40915 | 0.152283333333333 | 0 | 6.97048085918084E-10 | Infinity | D0_VO_M_T2 | Blank | 100 - 93.2 - 27.1 | 2316.75489431685 | 1.53 | 0 | 0 | 0 | 23.1579994811263 | 16.8462473362887 | 14.5611404773841 | 7.68841528891869 | 21.4378287759755 | 29.8021121258885 | 0 | 40.0669070972055 | 0 | 0 | 0 | 0 | 1101.85719264418 | 2762.90148705437 | 3285.22057363145 | 1348.28921500225 | 0 | 0 | 0 | 0 | 1334.4124535898 | 1305.93467562404 | 1504.175216271 | 1695.27197447148 | 0 | 5.7963467569714 | 15.5430912727325 | 0 | 252.501068674128 | 556.645966364259 | 786.283109400615 | 517.975818409713 | 0 | 0 | 0 | 23.4408571720103 | 16.9250589466836 | 14.8272092342273 | 7.68841528891869 | 20.2829957419539 | 18.2874755859256 | 0 | 15.9719847440709 | 0 | 0 | 0 | 0 | 1711.92821749306 | 1254.66459106187 | 2009.93645116128 | 1997.85642755204 | 0 | 0 | 0 | 0 | 1161.66265737977 | 1440.69039659118 | 1933.79722916759 | 1330.88931895527 | 0 | 6.13092041014397 | 13.7155151367081 | 0 | 189.820008459507 | 588.114234573222 | 729.30186561802 | 397.272657778932 | x | x | M-H, M+Na-2H | |||||||||
| 17.21_1355.3676n | 1355.36763703146 | 1336.34979591146 | 1 | 17.2122333333333 | 0.413466666666665 | 0 | 0.142476485607014 | 34.0746198598405 | D6_VO_MA_M_T2 | Blank | 100 - 58.9 - 36.4 | 1919.46332829026 | 13.42 | 0 | 0 | 168.993520941887 | 1819.80048089965 | 2119.84368305939 | 1851.44374713866 | 1454.22394253758 | 1303.9342257748 | 740.62477008317 | 589.940390231363 | 535.182633403934 | 21.4849494660243 | 2434.17056657368 | 1784.41914470679 | 54.8362960578721 | 2250.32017639164 | 84.2067618628445 | 59.3442929767878 | 1997.16007493724 | 220.808114880075 | 132.434939340811 | 2591.17608946448 | 25.5156465576316 | 49.7156623457894 | 1540.19618413416 | 2929.15949411638 | 909.767162464146 | 27.1123875742264 | 1058.61101231374 | 276.193416418649 | 337.254240706078 | 886.247854813766 | 1072.14578773641 | 15.0921259074266 | 562.4743029754 | 0 | 0 | 5.78546142578648 | 1842.02798644547 | 2129.76092403967 | 1885.27429337447 | 1454.22394253758 | 1233.6926759494 | 454.469714898568 | 223.536871683715 | 213.341370105793 | 19.6857065828916 | 3896.14861873024 | 1647.140216671 | 48.7295049281349 | 3496.26669778688 | 38.2392361552958 | 36.3075339841159 | 2959.3347244545 | 109.520263433445 | 177.840470869524 | 4326.84649803062 | 20.4553366590316 | 43.2795934110477 | 1699.12469035876 | 3765.78503105164 | 714.221327015833 | 25.0229040851279 | 1119.71559568818 | 243.718248646888 | 249.88741276415 | 666.245003165033 | 1132.75625335779 | 13.9984128475286 | 431.401724430769 | M-H2O-H, M-H | |||||||||||
| 1.02_352.2388n | 352.238815173669 | 397.263944138536 | 1 | 1.02091666666667 | 0.178933333333333 | 0 | 0.424659219134098 | 15.1772362642686 | D6_MA_VO_M_T1 | Blank | 100 - 6.95 | 512.861800039929 | 9.26 | 101.374543647452 | 0 | 0 | 253.040531947385 | 194.540958988269 | 230.125183338617 | 264.846524943858 | 215.152200775778 | 316.755435990343 | 412.009057521059 | 357.312783638119 | 0 | 640.559600486228 | 289.228248466921 | 2.77856351053409 | 647.814320723015 | 94.0784755936194 | 5.64317450986321 | 437.049397464151 | 479.29098043265 | 546.432619647208 | 686.916625714283 | 2.8076784377896 | 13.345908971784 | 264.042838461879 | 422.855346867823 | 190.377995479119 | 3.11749103499816 | 552.955690086059 | 3.45703485563673 | 213.380626708519 | 615.065563038494 | 332.687782077742 | 0 | 161.041632958783 | 4.04972839355702 | 0 | 0 | 256.131233310645 | 195.451077779687 | 234.330150768491 | 264.846524943858 | 203.562180564554 | 194.370696879254 | 156.116138763602 | 142.436607729265 | 0 | 1025.28369906377 | 266.977341764319 | 2.46913146972605 | 1006.49305803457 | 42.7220922140934 | 3.45256030559327 | 647.607307220091 | 237.727107388094 | 733.777920390383 | 1147.04006744101 | 2.25085449218659 | 11.6181800009466 | 291.288675276907 | 543.631147000878 | 149.458048361983 | 2.87723384528339 | 584.873105146182 | 3.05055236816332 | 158.103668705695 | 462.381212848628 | 351.495262934284 | 0 | 123.514332647841 | M-H, M+FA-H | |||||||||||
| 13.08_312.1895n | 312.189541359951 | 311.162053341417 | 1 | 13.0798333333333 | 0.144883333333334 | 0 | 2.60220921721732E-6 | 16.1024604453876 | Blank | D0_MA_M_T1 | 100 - 7.06 - 2.75 - 0.0263 | 59186.3013321564 | 1.89 | 77948.148698268 | 46721.2073493699 | 52889.5479488314 | 4179.13026799218 | 4261.36856564602 | 4514.81074999868 | 4268.43557631991 | 4203.52391555386 | 5699.41399255676 | 7824.63973127645 | 7362.65051449995 | 4921.98240169343 | 2429.22973546909 | 5114.0840884418 | 5681.62698701181 | 2414.76488971258 | 8489.35830937365 | 6246.52156442261 | 2883.66731624072 | 7167.06459367867 | 2825.08794905134 | 2933.08676066415 | 5473.21778430744 | 5031.69802352595 | 4619.18485836225 | 3018.43559154676 | 5311.25235378519 | 4315.10241468017 | 3988.02269807409 | 4025.71512218376 | 6129.00628149036 | 4244.02750646885 | 4358.72155332146 | 4811.08590682847 | 5812.32482407132 | 3113.88657991276 | 2327.92138355987 | 1810.66373302248 | 4230.17522714209 | 4281.30447851971 | 4597.30772786249 | 4268.43557631991 | 3977.08455326072 | 3497.33246431294 | 2964.86817404666 | 2934.99424370895 | 4509.7942408064 | 3888.24029359153 | 4720.64738741294 | 5048.89808697557 | 3751.7603741281 | 3855.11293888502 | 3821.69510506253 | 4272.93582012641 | 3554.84581157953 | 3793.673887026 | 4897.7822195876 | 4387.75917879778 | 4380.30661465821 | 5095.82553380157 | 3880.56013701952 | 4169.64896156705 | 3982.54832940978 | 4218.21722903879 | 3552.36649682743 | 4541.26690680111 | 3190.48684193882 | 4605.12847473325 | 4462.43075242108 | 4457.88712265101 | M-H2O-H, M-H | |||||||||||
| 17.22_1255.2915n | 1255.2915242019 | 1254.29025866885 | 1 | 17.22365 | 0.797966666666667 | 0 | 0.0311474893986452 | 72.9352001229985 | D6_VO_MA_M_T2 | Blank | 100 - 71.9 - 14.9 - 1.57 | 3507.70692614341 | 7.84 | 0 | 0 | 144.280412759325 | 3703.95996836782 | 3738.98523540336 | 3830.461670771 | 3012.1700615763 | 3398.39124539325 | 2492.12858584205 | 2712.22335715354 | 1802.82229285775 | 91.1863265167223 | 4786.57489724064 | 3290.80805626299 | 142.341264134825 | 4255.59152100874 | 569.207103244509 | 316.875132603279 | 3736.2498274582 | 1199.94494265282 | 718.00534691976 | 5607.53069338157 | 57.5553315620494 | 77.1828958656205 | 2851.37768098153 | 4668.00486232069 | 2347.40898996613 | 33.6425111809344 | 2366.85984347232 | 45.4148545092027 | 1257.56138996779 | 2457.73882738549 | 2746.19272908563 | 61.7635724498899 | 1756.48297121665 | 0 | 0 | 4.93941281217919 | 3749.20107672146 | 3756.47728818892 | 3900.45386516405 | 3012.1700615763 | 3215.32352367005 | 1529.24532590373 | 1027.70031448064 | 718.66416062355 | 83.5499879121713 | 7661.42168935328 | 3037.63962121487 | 126.489566779176 | 6611.80709766593 | 258.483337450869 | 193.86792004102 | 5536.26822025353 | 595.169639921718 | 964.174632605408 | 9363.67259713009 | 46.1408524751564 | 67.1909855714555 | 3145.60331287744 | 6001.27882101087 | 1842.85565915727 | 31.0497674968187 | 2503.47847199477 | 40.0749190442641 | 931.785947222563 | 1847.6278435386 | 2901.44029140394 | 57.2876208027358 | 1347.17226850679 | M-H2O-H, M-H | |||||||||||
| 14.26_854.8647n | 854.864749826432 | 889.839381343771 | 1 | 14.2557833333333 | 0.485700000000001 | 0 | 0.648400637808215 | 30.1382767156959 | D0_MA_M_T1 | Blank | 100 - 35.8 - 41 - 9.15 | 1862.38293636035 | 21.11 | 130.635746604494 | 54.7480715144522 | 0 | 733.726855198208 | 780.717959954455 | 897.214568973527 | 756.424231749106 | 810.728152356105 | 612.800780444948 | 533.188288299238 | 465.587599444995 | 0.207815754394034 | 3724.5580569663 | 576.244689373899 | 0.15490192990527 | 2725.26220106078 | 43.835538655998 | 37.1931723179397 | 2048.97100141807 | 712.9462413822 | 2585.99696482533 | 3545.80750043677 | 4.94094938650462 | 10.0624510508261 | 927.811554715738 | 1418.76175905426 | 315.740939272798 | 14.4571565736091 | 2355.22011225827 | 7.31290092559914 | 177.91989108988 | 1903.2273815174 | 1216.07168505183 | 13.2982553533868 | 302.765604789482 | 5.218660160657 | 2.72786628637664 | 0 | 742.688781472112 | 784.370384049861 | 913.608941746675 | 756.424231749106 | 767.055089111878 | 376.033056452001 | 202.032686621208 | 185.598504454633 | 0.190412361489265 | 5961.55089881644 | 531.913034740949 | 0.137651426141734 | 4234.17235301361 | 19.9062103515101 | 22.755218744267 | 3036.1066746677 | 353.619522599842 | 3472.61017508523 | 5920.92711426893 | 3.96105122744612 | 8.75979057000748 | 1023.54981583329 | 1823.98800939541 | 247.87541466087 | 13.3429798941423 | 2491.1668783892 | 6.45304087702679 | 131.829154084609 | 1430.76874706714 | 1284.81855875412 | 12.3345425111357 | 232.212570980722 | M+Na-2H, M+Cl | |||||||||||
| 13.08_726.6921n | 726.69210934275 | 707.67426822275 | 1 | 13.0760333333333 | 0.18295 | 0 | 0.129553914063093 | Infinity | D6_MA_VO_M_T2 | Blank | 100 - 19.4 | 499.752580856687 | 23.96 | 0 | 0 | 0 | 254.547920096104 | 292.025447262871 | 241.91463494555 | 316.513948059769 | 216.949968677255 | 225.982894866903 | 150.121297713973 | 171.534157581657 | 16.6123091998824 | 957.371114186493 | 250.21439477614 | 0 | 623.454463444977 | 32.5462826980208 | 0 | 479.310256419571 | 177.305024937494 | 715.534216578908 | 992.939143243316 | 6.5660184700584 | 5.31676586134985 | 324.644345950489 | 308.574579301589 | 126.375945633723 | 4.37236492074924 | 760.391856524239 | 0 | 119.695232461069 | 547.842245886487 | 383.298696357087 | 1.29447153009137 | 144.440910847001 | 0 | 0 | 0 | 257.657033081291 | 293.391626644881 | 246.335025386952 | 316.513948059769 | 205.263104621358 | 138.669925650179 | 56.8831119546168 | 68.3791474429125 | 15.2211223531293 | 1532.37418748364 | 230.964901743135 | 0 | 968.645751390136 | 14.7796324491582 | 0 | 710.228240294761 | 87.9428414565942 | 960.856271260701 | 1658.04835579036 | 5.26383362503088 | 4.62847026235885 | 358.143481637009 | 396.709545530406 | 99.2126329872404 | 4.03539775822226 | 804.282791961117 | 0 | 88.6877860965647 | 411.845463841806 | 404.967309640844 | 1.20066231945985 | 110.782052954466 | M-H2O-H, M+Cl | |||||||||||
| 14.99_1499.0158n | 1499.01581057162 | 1498.00853413962 | 1 | 14.9859166666667 | 0.332466666666667 | 0 | 0 | Infinity | D20_VO_MA_M_T2 | Blank | 100 - 65.8 - 32.4 - 9.75 - 0.275 | 4335.02590365829 | 5.12 | 0 | 0 | 0 | 2465.1598294837 | 2466.75533627378 | 2399.10851498953 | 2458.24684348378 | 2536.20387823643 | 2466.64746949491 | 2961.57458005638 | 2484.57086365345 | 2340.86415832774 | 896.649896378989 | 2180.37508774633 | 2979.46890307544 | 2122.40743302237 | 5506.25336157256 | 4788.13406367657 | 2239.2571034824 | 2146.143156872 | 1345.76409031965 | 1069.01141674131 | 3055.35464326925 | 4256.01130325279 | 2683.09931121333 | 2213.25423917478 | 4829.8832312919 | 2119.28693189767 | 1452.31577888848 | 3274.22464966751 | 3521.86622131447 | 2697.63253302427 | 2509.17234929903 | 3934.08753030677 | 4735.96427700981 | 0 | 0 | 0 | 2495.2699181205 | 2478.29553015917 | 2442.9462776364 | 2458.24684348378 | 2399.58127292468 | 1513.60934375816 | 1122.18306772347 | 990.431525786622 | 2144.83003760933 | 1435.18342684548 | 2012.63447834431 | 2647.6632273342 | 3297.53183794057 | 2500.45148354018 | 2929.43653917047 | 3318.06718273453 | 1064.48154785509 | 1807.16146881634 | 1785.07679338684 | 2449.41109760415 | 3705.03841377876 | 2959.96077209475 | 2845.40316105602 | 3791.74557305564 | 1955.95882068876 | 1536.14557998146 | 2889.23721514005 | 2609.51511329614 | 2027.97015049535 | 2651.02069320418 | 3648.98767511929 | 3632.34932713702 | M-H, M+Na-2H | |||||||||||
| 13.08_354.2065n | 354.206450139239 | 353.199173707239 | 1 | 13.08365 | 0.102883333333335 | 0 | 0.994173827235869 | 1.76974645333401 | Blank | D20_VO_MA_M_T1 | 100 - 0.435 | 230.790409148306 | 2 | 530.353420300566 | 76.3600986491525 | 85.6577084951997 | 142.618911409712 | 145.896251794889 | 175.047725084912 | 148.878468519058 | 147.060800766541 | 128.962194856906 | 218.597218599097 | 123.284187600809 | 221.761286559929 | 88.3710987947207 | 199.563789201599 | 241.354704253881 | 68.643131214676 | 316.585298847686 | 291.931402981996 | 114.19926277292 | 183.242360115842 | 77.6137716609481 | 109.796615454868 | 248.735024990108 | 192.172248481316 | 165.453378359772 | 112.714143516897 | 187.05738881968 | 175.178586834321 | 170.291666644377 | 142.506083918868 | 221.973753450535 | 90.6368117966905 | 170.180672779727 | 175.348634788029 | 270.783919194518 | 21.1866532517335 | 3.80470275878906 | 2.93247555029436 | 144.360895037902 | 146.578796597005 | 178.246288458015 | 148.878468519058 | 139.138791849053 | 79.1350955258087 | 82.8296200998198 | 49.1451251469979 | 203.190034287342 | 141.447332916102 | 184.210948397564 | 214.476470802401 | 106.649132072626 | 143.764939277082 | 178.607053907362 | 169.217204004855 | 90.8877446055502 | 104.223777855344 | 183.342653943174 | 199.405437897615 | 167.294095798416 | 182.526046467512 | 144.907518793811 | 146.851174655552 | 161.678013938193 | 180.121151905163 | 125.750040115322 | 164.47071750728 | 68.1370596660501 | 179.801313866902 | 162.641273805268 | 207.683531622148 | M-H, M+Cl | |||||||||||
| 14.99_1523.0175n | 1523.01753927178 | 1522.01026283978 | 1 | 14.9935333333333 | 0.32485 | 0 | 1.09380768220646E-7 | 485.094176626352 | D20_MA_VO_M_T2 | Blank | 100 - 85.5 - 65.9 - 26.9 - 2.65 | 7045.63389621081 | 6.45 | 0 | 43.5727796932786 | 0 | 2512.20322868956 | 2575.53573836596 | 2746.67712926106 | 2714.0792161073 | 2680.40119117163 | 2707.58435275887 | 3219.33377489049 | 2843.57154665923 | 5057.04708845072 | 2141.82602171104 | 5419.88825720521 | 7567.31852998997 | 589.563599732801 | 1660.73137451287 | 1371.27743941239 | 751.478892261652 | 5808.35218578526 | 3400.91126314764 | 2031.37958280368 | 6524.45774763093 | 1451.32046899025 | 816.098879034125 | 525.217243377221 | 1669.56999405858 | 4083.90640790505 | 3304.60071640191 | 6032.85881193242 | 8058.4089804892 | 876.010213382903 | 799.532959295009 | 1514.07627298584 | 2194.08290196551 | 0 | 2.17104846693339 | 0 | 2542.88791735957 | 2587.58483838914 | 2796.86584699009 | 2714.0792161073 | 2536.01082998614 | 1661.45548807929 | 1219.85172207401 | 1133.5409856251 | 4633.54802470144 | 3428.22011351329 | 5002.92543082556 | 6724.59141315356 | 915.990356216052 | 754.156766221971 | 838.963609400335 | 1113.51994688478 | 2880.92791266718 | 4566.91914863333 | 3392.0765438375 | 5230.51530142398 | 1263.43604496599 | 900.309823790732 | 675.229613523246 | 1310.71173581662 | 3769.17001713241 | 3495.34712622177 | 5323.50771804579 | 5970.85144700908 | 658.548761746269 | 844.732096853363 | 1404.3525002315 | 1682.79891622601 | x | x | M-H, M+Na-2H | |||||||||
| 13.85_709.6111m/z | 709.611091451543 | 1 | 13.8548 | 0.159883333333333 | 0 | 0.165241878523445 | 5.83165175775122 | D20_MA_VO_M_T1 | Blank | 100 - 41.5 - 4.66 | 1217.98190653412 | 0.23 | 322.099262742072 | 304.472053822857 | 0 | 981.565230946087 | 941.94145423971 | 921.236640751348 | 865.40696886321 | 840.088177328984 | 982.234412380615 | 1300.38257004385 | 1175.83666172483 | 1015.31171510128 | 576.699630667151 | 1023.71873431091 | 982.264046068209 | 648.030877302846 | 1386.84916805538 | 957.718552322662 | 680.13574412042 | 1209.90732800153 | 881.536807510322 | 576.16833195898 | 1154.72696867147 | 1073.46771182463 | 831.824830227666 | 831.657423010762 | 995.513301813389 | 1838.27373911485 | 597.690073953396 | 916.66556184433 | 1254.34261998713 | 670.135219637376 | 646.995317823019 | 741.58835202647 | 739.136704661132 | 12.8672789335229 | 15.1705626845318 | 0 | 993.554318125389 | 946.348128404254 | 938.069957354798 | 865.40696886321 | 794.833520767975 | 602.728684470074 | 492.73359904317 | 468.727101321432 | 930.285107035659 | 923.069032343443 | 944.962007858366 | 872.875159604059 | 1006.82951662663 | 629.78378073038 | 585.943435188862 | 1007.80570880455 | 600.110957718883 | 1183.77311694922 | 962.108264100293 | 925.719394963692 | 934.499188294382 | 917.658491595245 | 1069.19513287947 | 781.537145787116 | 1696.60260757736 | 632.18962339237 | 808.882877168141 | 929.401010265011 | 503.780335380472 | 683.571208822784 | 687.846097909674 | 566.896740516223 | |||||||||||||
| 14.51_861.8343m/z | 861.834303144852 | 1 | 14.5118166666667 | 0.26745 | 0 | 0.186511285894287 | Infinity | D0_MA_M_T1 | Blank | 100 - 35.7 - 6.37 | 547.781641408649 | 12.21 | 0 | 0 | 0 | 292.293015349715 | 335.115350015228 | 296.551115644911 | 260.63209737422 | 283.350942403806 | 238.78845152015 | 232.556650743745 | 262.917903341054 | 0 | 1095.5632828173 | 101.652944644094 | 0 | 793.934432787812 | 69.5402959791543 | 0 | 684.939055482152 | 126.347112900689 | 835.757588746421 | 1074.33123930551 | 5.73176582844858 | 0 | 272.289172554215 | 422.084378959555 | 116.124504878318 | 0 | 744.369290883971 | 0 | 35.5760154829505 | 569.19316197689 | 369.476455488221 | 0 | 81.0069407021097 | 0 | 0 | 0 | 295.863156520619 | 336.683116407085 | 301.969852371108 | 260.63209737422 | 268.087128520015 | 146.527801752089 | 88.1190490722487 | 104.807709038248 | 0 | 1753.56543608546 | 93.8325806260228 | 0 | 1233.51625546606 | 31.5790293015576 | 0 | 1014.92311831194 | 62.6678466797026 | 1122.29841955037 | 1793.96003977276 | 4.59503149986148 | 0 | 300.385925358143 | 542.639975501269 | 91.1646423339857 | 0 | 787.335380285195 | 0 | 26.3599308547749 | 427.896212039347 | 390.363670883207 | 0 | 62.130009717581 | |||||||||||||
| 14.44_223.0205m/z | 223.020476966154 | 1 | 14.4432833333333 | 0.0913666666666675 | 0 | 0.787982295244312 | Infinity | QC | D0_MA_M_T2 | 100 | 31.6566244942655 | 22.24 | 0 | 80.5844890332928 | 0 | 3.12135978166559 | 0 | 0 | 0.604957619388983 | 3.08411433841657 | 239.320331301403 | 7.1222329132505 | 0 | 0.688122507798661 | 1.07372131224279 | 0 | 0 | 1.10530617381567 | 4.97695195152225 | 8.7632050389838 | 18.9649718273952 | 3.70061372240729 | 5.08170580978773 | 1.76686416192292 | 0 | 0 | 0 | 0 | 0 | 5.33020193177884 | 0 | 1.64016778993213 | 5.15054268161875 | 1.75481763813671 | 10.0044615639662 | 0 | 11.8834057496064 | 0 | 4.01518637566583 | 0 | 3.15948486328068 | 0 | 0 | 0.604957619388983 | 2.9179763793946 | 146.854179240812 | 2.69871616046906 | 0 | 0.630496143499407 | 1.71860504150473 | 0 | 0 | 1.71728681407752 | 2.26008976948672 | 5.36143155142366 | 28.1017532752729 | 1.83549499511642 | 6.82397680348808 | 2.95037841796849 | 0 | 0 | 0 | 0 | 0 | 4.91941668095866 | 0 | 1.44731480725586 | 3.81627754286038 | 1.31920035295333 | 10.570033038125 | 0 | 9.1142327842752 | x | ||||||||||||
| 13.90_719.6957m/z | 719.695703501111 | 1 | 13.8966833333333 | 0.149433333333334 | 0 | 0.0065417983938183 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 33.2 - 1.95 | 615.610934275855 | 14.67 | 0 | 0 | 0 | 425.88977473378 | 404.549677109714 | 414.185522599157 | 354.530229772937 | 397.921127523848 | 434.953079740054 | 564.515114291956 | 484.493582387193 | 9.11690731046334 | 1021.81559087401 | 284.078729193467 | 16.3483330892017 | 708.790508587977 | 192.055735501423 | 41.933760447016 | 627.259189447665 | 469.143855547583 | 762.078013004127 | 932.883367517677 | 25.9589801725995 | 9.43759666442825 | 419.493470457382 | 445.104710313459 | 297.960555134105 | 29.2153793113856 | 779.527508955219 | 0 | 239.851762366775 | 691.141165102626 | 452.570482480297 | 4.68210074591538 | 175.842875730223 | 0 | 0 | 0 | 431.091700675202 | 406.442277337011 | 421.753736591157 | 354.530229772937 | 376.485539629116 | 266.90033891456 | 213.902870114571 | 193.135050023071 | 8.35341793756666 | 1635.52441954988 | 262.223985291436 | 14.5277167698616 | 1101.23025020253 | 87.2146661663573 | 25.65556612339 | 929.454741189933 | 232.694159250711 | 1023.3576829993 | 1557.7648883944 | 20.8107475370571 | 8.21582831528962 | 462.779820155905 | 572.235366054945 | 233.916755700271 | 26.9638235407341 | 824.522982372329 | 0 | 177.717369007052 | 519.57174872716 | 478.155163205047 | 4.34279303241121 | 134.866463085694 | |||||||||||||
| 13.76_607.6035m/z | 607.603475872508 | 1 | 13.7634333333333 | 0.0647166666666656 | 0 | 0.613524696174292 | Infinity | D0_MA_M_T1 | Blank | 100 - 8.26 | 50.5567886402341 | 4.86 | 0 | 0 | 0 | 8.88723759568604 | 4.36191790701178 | 3.32055074996185 | 10.5953698960544 | 13.9237799529798 | 0 | 16.0756072955542 | 8.03447189415987 | 0 | 101.113577280468 | 0 | 0 | 69.7630347756564 | 0 | 0 | 39.0074886525511 | 7.4654818156099 | 60.3873674552991 | 83.3839155581766 | 0 | 0 | 16.4842955059 | 13.1494428536885 | 0 | 0 | 61.7742476704497 | 0 | 0 | 21.6175997346406 | 23.1546720344817 | 0 | 8.69768786012534 | 0 | 0 | 0 | 8.99578857422381 | 4.38232421874397 | 3.38122558593705 | 10.5953698960544 | 13.1737207368073 | 0 | 6.09127807617102 | 3.20280430453137 | 0 | 161.843023601545 | 0 | 0 | 108.389098485435 | 0 | 0 | 57.8001819342834 | 3.70285999473913 | 81.0912733171158 | 139.237701556417 | 0 | 0 | 18.1852635305612 | 16.9051822423986 | 0 | 0 | 65.3399480299445 | 0 | 0 | 16.2512300880576 | 24.4636502251093 | 0 | 6.67087815669109 | |||||||||||||
| 13.86_762.5888m/z | 762.588766348689 | 1 | 13.8586166666667 | 0.13705 | 0 | 7.19993540714059E-4 | 19.5122652154712 | D20_MA_VO_M_T1 | Blank | 100 - 65.2 - 10.9 | 1869.77781681513 | 2.25 | 287.477306632639 | 0 | 0 | 936.823786145303 | 993.497825486748 | 995.313299202844 | 1172.08020937153 | 1244.95211770384 | 1513.20166295207 | 1975.21091652012 | 1790.92009607758 | 1563.53811790116 | 738.653184002128 | 1276.84957164521 | 1434.36757398894 | 751.460755872018 | 2372.03363300617 | 1334.99131586072 | 814.259078617634 | 1834.91132382473 | 1338.52633379104 | 709.188433715172 | 1475.96393502262 | 1440.38629561059 | 1000.19136089911 | 905.100336644818 | 1409.05927027973 | 2869.29600240494 | 870.259631225324 | 1154.88312714639 | 1582.31515185839 | 965.544576546548 | 739.760316079415 | 1054.17514819576 | 1088.26325682831 | 11.4841948410858 | 0 | 0 | 948.266389947512 | 998.145695245954 | 1013.50018316291 | 1172.08020937153 | 1177.88787130447 | 928.546216822638 | 748.435734365078 | 713.91955418481 | 1432.60065232373 | 1182.29290177537 | 1178.61898440994 | 1274.63061494317 | 1167.52595608948 | 1077.16710931797 | 816.763333722276 | 1206.54583290286 | 910.111350171353 | 1797.44223584434 | 1184.23039767185 | 1183.24805602258 | 1253.91738312326 | 1103.39829035647 | 1163.61478648845 | 1106.19532489755 | 2648.16657933411 | 920.492296080559 | 1019.09052282882 | 1172.4111716063 | 725.857045479014 | 781.580391034384 | 977.780004524567 | 834.666833928077 | |||||||||||||
| 13.76_784.5507m/z | 784.550671517041 | 1 | 13.7634333333333 | 0.0647166666666656 | 17 | 1.44930434320401E-9 | Infinity | D0_MA_M_T2 | Blank | 100 - 19.9 | 115.826368262528 | 0.36 | 0 | 0 | 0 | 22.4407166167219 | 30.2951040134821 | 46.8903150506584 | 30.6643372774112 | 42.126781603646 | 37.818456006037 | 23.0240736897679 | 37.1986752196827 | 96.7590999148245 | 24.3226300456851 | 87.4206673326933 | 144.232069192364 | 47.7274632248396 | 65.2909420439301 | 130.884004471399 | 23.5267568775337 | 71.8736332059733 | 71.0493491063499 | 39.4983720625715 | 39.701264409224 | 51.7352402492164 | 80.4145238498225 | 31.8811178928802 | 69.6211480025393 | 52.4807118948459 | 25.9612249407034 | 32.423812619858 | 61.5541544683412 | 12.7435051681531 | 24.0311305669554 | 49.3540306563161 | 40.1610286658368 | 0 | 0 | 0 | 22.7148132324145 | 30.4368332595701 | 47.7471193547507 | 30.6643372774112 | 39.8574566864034 | 23.2065461664718 | 8.72415161133074 | 14.8286133408551 | 88.656073087818 | 38.930953630654 | 80.6952208280396 | 128.169804158306 | 74.1529769823358 | 29.649349961778 | 80.076367953044 | 34.8612759964533 | 35.6491392850858 | 95.4087324911298 | 65.9559161307979 | 31.8276367187338 | 45.0377216627506 | 88.7122720755777 | 40.98699192562 | 54.6567415997486 | 48.4361554831245 | 27.4597449971164 | 28.6113801285853 | 45.6083469040317 | 9.58004760742006 | 25.3896566459007 | 45.7773875631877 | 30.8023618673888 | |||||||||||||
| 14.51_1469.9782m/z | 1469.97820263939 | 1 | 14.5118166666667 | 0.195116666666667 | 292 | 1.33448807559944E-13 | Infinity | D6_VO_MA_M_T2 | Blank | 100 - 70.2 - 18.3 - 0.488 | 2286.12439287904 | 5.25 | 0 | 0 | 0 | 668.966758486305 | 648.723357159671 | 704.45343068392 | 673.213120600741 | 607.378171440932 | 716.767915282948 | 505.242591122799 | 611.818342108861 | 5.95746073823405 | 0 | 0 | 0 | 1044.77004237017 | 3058.86208092262 | 2469.65054092841 | 1518.66370654303 | 0 | 0 | 0 | 0 | 2151.11679709869 | 1848.92813060872 | 2039.06086315293 | 2533.18792260514 | 6.06560548335374 | 0 | 0 | 12.6162102547015 | 1080.01528308563 | 1002.76508917163 | 1504.93205853424 | 1343.70825257079 | 0 | 0 | 0 | 677.137688481264 | 651.758272381912 | 717.325571354983 | 673.213120600741 | 574.659355377354 | 439.830428667004 | 191.443661310716 | 243.890879887434 | 5.45855712890693 | 0 | 0 | 0 | 1623.23332666439 | 1389.06362020424 | 1510.96114631816 | 2250.31248017653 | 0 | 0 | 0 | 0 | 1872.63843958405 | 2039.71381683574 | 2621.45673231116 | 1988.70316968033 | 5.59814453126478 | 0 | 0 | 9.34793920703715 | 811.911455457205 | 1059.453330322 | 1395.87095894004 | 1030.58584938812 | x | x | |||||||||||
| 13.84_744.6337m/z | 744.633722296313 | 1 | 13.8433833333333 | 0.0685166666666674 | 0 | 3.21235293920807E-9 | Infinity | D20_MA_VO_M_T1 | Blank | 100 - 39.6 | 101.04307070069 | 4.85 | 0 | 0 | 0 | 66.9142287832739 | 99.9083839333918 | 72.2458231750529 | 81.7366790141946 | 43.3571838032576 | 53.6339628298217 | 34.0914924389551 | 47.5974217639587 | 41.7018273301103 | 103.746095042473 | 62.7210809514697 | 71.2225187530559 | 90.9001014090386 | 65.8624248311149 | 24.0150342795563 | 64.6245821319128 | 72.6480065064476 | 116.361012926376 | 87.7731601861649 | 58.443140808372 | 45.4812589507002 | 39.6659713374851 | 104.010988417751 | 29.2122339439146 | 136.657683189685 | 65.4284582116953 | 27.6580675591806 | 163.138867917611 | 27.5324955861044 | 50.8684336992291 | 41.7777731662228 | 44.7468768934036 | 0 | 0 | 0 | 67.7315361787744 | 100.375784207919 | 73.5659365541632 | 81.7366790141946 | 41.0215784282274 | 32.9114185492503 | 12.9177552461603 | 18.9738951505963 | 38.2095353814611 | 166.056647980652 | 57.8958229487158 | 63.290891764616 | 141.229235162206 | 29.9088667128607 | 14.6926794388763 | 95.7588589699509 | 36.0332264727774 | 156.255572983107 | 146.567032752714 | 46.8525897608063 | 39.5933655981069 | 43.75899119921 | 133.718571499845 | 22.9333409177009 | 126.125819409649 | 69.2050849738895 | 24.4059973401511 | 120.877203915525 | 20.6978076271451 | 53.7441241950615 | 38.7501747744766 | 34.3195764723672 | |||||||||||||
| 14.03_703.6980m/z | 703.698045494325 | 1 | 14.0308833333333 | 0.145833333333334 | 0 | 0.00398501276327512 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 37.4 - 28.3 | 349.2012187838 | 19.54 | 0 | 0 | 0 | 242.326837768549 | 194.521613752994 | 189.12396246184 | 196.181302661157 | 155.738753496802 | 192.045289029428 | 116.952944755324 | 184.616132570604 | 6.38823854100581 | 685.890967738973 | 131.000585809396 | 8.16521580429983 | 582.249587136996 | 56.7416768846578 | 55.7369614961715 | 525.281517726595 | 157.742689957374 | 540.659747610227 | 657.79238568301 | 33.9599643234601 | 11.2081888656439 | 257.370723168718 | 260.832749858495 | 134.832025490637 | 9.35087516101688 | 470.432671181965 | 7.82476880021337 | 69.7560539287762 | 355.025761803061 | 260.564894835665 | 1.73206928801878 | 58.7339732937107 | 0 | 0 | 0 | 245.286679348401 | 195.431642041814 | 192.579734189311 | 196.181302661157 | 147.349272495955 | 117.844786291736 | 44.3151474923604 | 73.5940522130475 | 5.85325972949708 | 1097.84136874077 | 120.922449153375 | 7.25590443517555 | 904.626756078533 | 25.7670326496346 | 34.1005263047813 | 778.34714153863 | 78.2399730563108 | 726.025809909295 | 1098.40727999769 | 27.2249618129826 | 9.75720394923764 | 283.928083198889 | 335.331711024314 | 105.851158563827 | 8.63022674139413 | 497.586736314418 | 6.90472268594612 | 51.6855171469583 | 266.893892618621 | 275.295130015639 | 1.60654775363891 | 45.0472798980218 | |||||||||||||
| 13.84_213.9558m/z | 213.955849288623 | 1 | 13.8433833333333 | 0.0571000000000002 | 0 | 3.4365704726369E-9 | Infinity | D6_VO_MA_M_T2 | Blank | 100 | 29.9902436401182 | 8.01 | 0 | 0 | 0 | 15.6128240723731 | 23.1173317434313 | 28.0310456348952 | 21.6664395062509 | 23.1585786734915 | 10.2865214677322 | 12.4009112376238 | 9.14439486012565 | 17.6487434564879 | 10.7577837887266 | 22.617727896352 | 20.1931935670625 | 19.8657274646836 | 23.7323222749208 | 15.1488063362314 | 18.0731228318848 | 21.3909322651201 | 14.7508232865153 | 12.9452612039604 | 29.8716981739883 | 33.3767538742138 | 20.6702212307504 | 31.704444753573 | 28.2760425266633 | 15.9335723312276 | 23.9449416828609 | 18.7779064419157 | 15.4118057062832 | 6.92125515232465 | 24.8670149298601 | 24.8248778949135 | 32.3680203499924 | 0 | 0 | 0 | 15.8035230733334 | 23.2254812978314 | 28.5432435274076 | 21.6664395062509 | 21.9110506727498 | 6.31212007426282 | 4.69888305664017 | 3.64525604248286 | 16.1707611084011 | 17.2189759520605 | 20.8777009248713 | 17.9443980753637 | 30.864888512645 | 10.7771140453355 | 9.26821726710346 | 26.7802369208732 | 10.6098480032553 | 19.808166727333 | 21.6165000650433 | 23.9474881165868 | 29.0558803583741 | 22.8031231411533 | 40.7598574644449 | 22.1983749792085 | 14.7056120043361 | 25.3270789064843 | 16.5699766874305 | 11.4193263986954 | 5.20311743020865 | 26.2727951611985 | 23.0258408784863 | 24.8253470808028 | |||||||||||||
| 13.85_415.2232m/z | 415.223213828641 | 1 | 13.851 | 0.0837666666666657 | 0 | 0.939688626684471 | 4.33530922394434 | D20_MA_VO_M_T2 | D20_VO_MA_M_T1 | 100 | 66.2467233303504 | 0.49 | 104.32520757602 | 0 | 40.2574725437172 | 7.80174100566257 | 14.5878361618589 | 25.7710063663022 | 42.7264710664791 | 57.9794404755299 | 17.8783628770848 | 48.9624693740944 | 52.4697570459442 | 53.4819704551083 | 19.450809459054 | 38.2573798461983 | 73.4739848999423 | 15.6672029071452 | 89.6116681388395 | 93.4205545421852 | 24.9043906339684 | 44.529261887595 | 30.8543702147973 | 15.8219122683235 | 56.4175033181615 | 64.599576822645 | 27.8071697370723 | 24.0038446855746 | 60.4321610891765 | 44.9324595052775 | 45.2466684922324 | 36.3385446015416 | 96.1549020591592 | 7.60705100766612 | 22.954424498839 | 47.6867427198652 | 56.1660609246248 | 4.16760204370061 | 0 | 1.37820700582614 | 7.89703345298884 | 14.6560822725293 | 26.2419076420045 | 42.7264710664791 | 54.8561496863869 | 10.9707031249973 | 18.5525816082916 | 20.9161679744774 | 49.003158211708 | 31.133087158206 | 35.3141632200355 | 65.2916255593355 | 24.3417449420711 | 40.6936647892059 | 57.1557901984282 | 36.9026143268953 | 22.0864006518736 | 41.4328405683141 | 26.4200437664936 | 45.2286804188336 | 56.2366724587469 | 30.6765132623784 | 30.8598146281187 | 47.4428403973608 | 41.469627912013 | 47.8583726924905 | 32.0658130215537 | 71.2456562439319 | 5.71867079299626 | 24.252082310733 | 44.2309265136772 | 43.0777644582041 | |||||||||||||
| 13.85_805.6359m/z | 805.635928562608 | 1 | 13.8471833333333 | 0.102783333333333 | 0 | 0.983953253671554 | 1.69701426878966 | Blank | D0_MA_M_T2 | 100 - 21.6 - 24.7 | 353.937049966573 | 2.24 | 462.475069043527 | 0 | 599.336080856191 | 311.8278393574 | 315.429501726631 | 257.090259697181 | 309.068415352277 | 230.772397532757 | 194.659855706489 | 141.454616022406 | 149.431197075667 | 120.295106291349 | 370.316662284867 | 244.46877806179 | 172.660360420948 | 332.450809258313 | 178.287582296975 | 221.434662260897 | 309.59965270463 | 205.824649375179 | 372.053569600095 | 339.211033210376 | 255.28443637947 | 213.859657152241 | 254.323258668998 | 260.963280790542 | 276.559160944055 | 139.71696917381 | 371.522005812473 | 119.19620818603 | 309.933557385339 | 225.788624813985 | 262.500299714895 | 209.637343751805 | 216.392649966149 | 18.4750367403 | 0 | 20.51815807819 | 315.636583833186 | 316.905172034736 | 261.787947072725 | 309.068415352277 | 218.340933936507 | 119.449163326241 | 53.5991820096751 | 59.568181646526 | 110.221072176786 | 592.731163570375 | 225.661306795808 | 153.432206200556 | 516.520584606734 | 80.9623931877965 | 135.47632168174 | 458.755917678085 | 102.088502648144 | 499.612733133019 | 566.427761165008 | 204.655957988702 | 186.173905201103 | 280.566159420733 | 335.499524156709 | 217.115388505389 | 128.949333920872 | 392.966801979848 | 105.180968761453 | 229.644242935729 | 169.738682284802 | 277.339947058995 | 194.44511025799 | 165.966981701604 | |||||||||||||
| 13.84_316.9412m/z | 316.941229720864 | 1 | 13.8433833333333 | 0.0761333333333329 | 0 | 0.977767716771389 | 4.14725111490872 | Blank | QC | 100 | 75.8378011937181 | 3.62 | 154.642941075141 | 72.8704625060131 | 0 | 34.412878768437 | 28.0591318582765 | 20.9572828126087 | 24.5768611369858 | 27.3099729191037 | 4.64477468434135 | 0 | 6.32934954113867 | 26.3252310120313 | 14.1834357061731 | 15.4554134980832 | 65.0745960315445 | 16.5856077312514 | 38.9133517192879 | 59.8409908403113 | 22.6777790375669 | 35.9499265239705 | 14.9878428342531 | 14.1684127679506 | 41.1017285820266 | 51.6487905114428 | 33.0079299650064 | 33.3081857290982 | 54.4316161751193 | 19.2836287734072 | 20.2973533226373 | 35.0155101549118 | 53.0266803314346 | 25.0812876161142 | 15.7099922597632 | 21.8301833246541 | 39.1116626107418 | 6.17770385742108 | 3.63082885742108 | 0 | 34.8332064151771 | 28.1904005808525 | 21.3402252197246 | 24.5768611369858 | 25.8388137259414 | 2.85017395019565 | 0 | 2.52308654785111 | 24.120641952135 | 22.7020958162517 | 14.2663976753935 | 57.8276265170961 | 25.7686477602993 | 17.6709899902291 | 36.6114195585345 | 33.6032848951714 | 17.8310721300104 | 20.1264488074607 | 23.6589660644519 | 32.950358264076 | 44.9624634981241 | 36.4139252901107 | 42.8216583911093 | 42.7320557832755 | 17.7974880260596 | 21.4689463855819 | 30.8983426219575 | 39.2899431827812 | 18.8550894159203 | 16.5981083692177 | 20.2481691837309 | 29.9975280761696 | |||||||||||||
| 14.44_1613.3850m/z | 1613.38500288767 | 1 | 14.4432833333333 | 0.175116666666666 | 0 | 0.973468553219957 | 513.84777378727 | Blank | D6_MA_VO_M_T1 | 46.4 - 77.5 - 100 - 78.3 - 50.1 - 25.1 | 12923.1935632538 | 17.27 | 0 | 38769.5806897615 | 0 | 15.5364820981659 | 9.9372754423464 | 35.5478390315704 | 17.9590066070067 | 62.3029721875081 | 9831.31918532442 | 726.522993012254 | 845.761374017377 | 236.386950404071 | 37.2376058676787 | 23.3436655722231 | 51.7051803289071 | 44.4011084112608 | 107.389380559343 | 246.848412104637 | 417.208552821758 | 22.0792118161094 | 28.2204847963896 | 16.1165175946899 | 38.1286395258608 | 42.2776687364922 | 28.5056636165607 | 6.91306575584032 | 140.520273995865 | 289.004685857375 | 63.1358043659146 | 183.314548200238 | 382.700288561857 | 181.479106781379 | 1082.4228422705 | 34.5150338629715 | 541.216480855223 | 0 | 1931.72524940246 | 0 | 15.7262486388522 | 9.98376488684494 | 36.1973876953089 | 17.9590066070067 | 58.9467773437237 | 6032.79421336321 | 275.289978027367 | 337.148253798512 | 216.590881586103 | 59.6027446303384 | 21.5477907657424 | 45.9470828771609 | 68.9849019316169 | 48.7667236328156 | 151.024751696339 | 618.207710638136 | 10.9512329101512 | 37.8959233064684 | 26.9119871854964 | 30.5668976912157 | 36.8045043945253 | 31.4470827579589 | 8.88757324219125 | 110.316771924498 | 266.73182192321 | 66.7800957788269 | 161.760194063194 | 283.560511418923 | 136.42859321488 | 1143.61428957147 | 32.0137597859922 | 415.097582051685 | x | ||||||||||||
| 13.97_775.7585m/z | 775.758457252148 | 1 | 13.9661666666667 | 0.408533333333335 | 0 | 0.00755455691995588 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 42.7 - 12.1 - 0.327 | 1746.06074454876 | 9.81 | 0 | 0 | 0 | 1018.50451099445 | 1008.08979037501 | 1056.57495837034 | 1025.54427570263 | 1054.05395676612 | 1080.38949323883 | 1304.64885836797 | 1218.84741835522 | 14.8849255843397 | 2910.23423437142 | 827.591001937144 | 11.4321583713056 | 2221.36165543858 | 332.920594543288 | 47.5410234248877 | 1866.62451228749 | 1294.89433643318 | 2197.22715266434 | 2722.92500440492 | 55.7184372141436 | 71.1957748348823 | 1197.07335081473 | 1192.10328423318 | 619.113293269899 | 13.0990214647139 | 2076.00682942508 | 7.0045761985547 | 631.342474975587 | 1872.48768696551 | 1324.70850472371 | 1.92979829065352 | 561.87468654411 | 0 | 0 | 0 | 1030.94478392777 | 1012.80592556026 | 1075.88124733321 | 1025.54427570263 | 997.273191249479 | 662.959604924528 | 494.350156853865 | 485.872601149132 | 13.6383973359984 | 4658.13910008284 | 763.922773575547 | 10.1590270996027 | 3451.27456134002 | 151.182980488406 | 29.0861553328121 | 2765.91085814887 | 642.26429776669 | 2950.55000879752 | 4546.84595447328 | 44.6682543887776 | 61.9789426922756 | 1320.5959782865 | 1532.59141820375 | 486.040754312009 | 12.0895128406972 | 2195.83699453668 | 6.18096935749463 | 467.791116012262 | 1407.65989802139 | 1399.59682700441 | 1.78994750976267 | 430.941835754812 | |||||||||||||
| 13.82_809.5456m/z | 809.545556250192 | 1 | 13.8167333333333 | 0.118016666666666 | 16 | 2.68551847426579E-12 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 32.6 - 5.34 | 657.520756810002 | 1.12 | 0 | 0 | 0 | 227.344597355831 | 235.570794322814 | 264.107309033026 | 311.846276767447 | 414.643941331751 | 410.761814541722 | 530.228212215299 | 592.215757755666 | 696.741619588138 | 323.860961331915 | 580.396233639445 | 555.538822462851 | 68.258328997093 | 324.767242259539 | 375.395924019538 | 238.260220547312 | 558.612839485811 | 756.428674134193 | 407.85197008628 | 450.980446946719 | 448.005356076338 | 193.268457234659 | 80.592640110324 | 271.045583837381 | 413.256111289734 | 183.167159453965 | 83.176271722386 | 186.026776527171 | 262.533692137383 | 281.262649355629 | 333.149559421753 | 327.902592050119 | 0 | 0 | 0 | 230.121442043795 | 236.672862533732 | 268.933215595549 | 311.846276767447 | 392.307513244247 | 252.05584836844 | 200.911071355147 | 236.076646124044 | 638.393453472656 | 518.373878347441 | 535.745192416098 | 493.671778239798 | 106.051274402111 | 147.480451658911 | 229.671626118608 | 353.047185836622 | 277.070547751465 | 1015.77145922987 | 681.047064172095 | 361.541176238647 | 390.007670461977 | 213.211284989361 | 103.61148252596 | 212.786902580411 | 381.407502643781 | 193.739837081653 | 73.3963015339593 | 137.835924001746 | 197.362125729212 | 297.162968448743 | 309.006504541754 | 251.49192222196 | x | x | |||||||||||
| 14.03_1465.3414m/z | 1465.3414283268 | 1 | 14.0308833333333 | 0.144883333333334 | 0 | 0.879785215086542 | 1808.56902078729 | Blank | D6_MA_VO_M_T2 | 54.5 - 86.1 - 100 - 71.6 - 40.5 - 13.4 | 32542.7027313103 | 7.12 | 0 | 43290.8349063921 | 54337.2732875389 | 18.1058597346949 | 34.7133333039384 | 60.9854419208226 | 38.2455184624383 | 147.899049488656 | 10238.1864891356 | 1204.64794324225 | 1341.6847984494 | 397.186461084895 | 103.638872840961 | 94.8037741860289 | 68.8961907712961 | 30.0847663839493 | 20.3268015833248 | 254.193786224444 | 613.68665630913 | 30.5644545224957 | 54.7595854902457 | 9.61228332271688 | 26.3749556018381 | 91.7354703994284 | 82.9433005976578 | 43.2180314895427 | 169.806768266784 | 372.901613724036 | 40.1497491083173 | 304.538565749642 | 508.276620287209 | 356.352465482993 | 1383.46179544683 | 18.228897126174 | 304.720690833126 | 0 | 2157.00034327365 | 1860.22633788178 | 18.3270093067985 | 34.8757323026736 | 62.0997997379599 | 38.2455184624383 | 139.931885004102 | 6282.46027239047 | 456.458376425092 | 534.839614153305 | 363.924343595916 | 165.885027454934 | 87.5103305281244 | 61.2236330509351 | 46.7419560658084 | 9.23062885724816 | 155.518737673815 | 909.343349459385 | 15.1598917133156 | 73.5339972720042 | 16.050964117059 | 21.1442259550051 | 79.8596191406211 | 91.5019861736343 | 55.5619509220115 | 133.308411615211 | 344.163024663911 | 42.46725163126 | 268.730539823708 | 376.605878538884 | 267.891254352852 | 1461.67155437192 | 16.9078650213051 | 233.712066133082 | |||||||||||||
| 13.97_717.7120m/z | 717.711993876837 | 1 | 13.9661666666667 | 0.111366666666665 | 0 | 0.571719154966006 | Infinity | D6_MA_VO_M_T2 | Blank | 100 - 17 | 102.123474605712 | 20.16 | 0 | 0 | 0 | 38.3888190532875 | 36.6843847958803 | 44.6195592613305 | 18.7713317275049 | 42.6753180321822 | 4.43985047481406 | 24.6545962359576 | 7.33335582233706 | 0 | 189.387467467611 | 16.3556999588122 | 3.29769424025999 | 164.622141816445 | 0 | 0 | 113.977716523732 | 14.301803829858 | 108.849471833228 | 204.246949211425 | 0 | 0 | 68.2347038077629 | 63.0567867539581 | 10.0807111868195 | 0 | 147.223522336711 | 0 | 5.99880584845009 | 55.9918855387564 | 74.6125099789483 | 0 | 1.86194993432378 | 0 | 0 | 0 | 38.8577098450861 | 36.8560049427531 | 45.434871130754 | 18.7713317275049 | 40.3764440409798 | 2.72442626953244 | 9.3419799804683 | 2.92331641753752 | 0 | 303.134763812952 | 15.0974233009535 | 2.93044970730043 | 255.769342598214 | 0 | 0 | 168.888923104128 | 7.09365832804747 | 146.16868796915 | 341.059490523292 | 0 | 0 | 75.2756507082655 | 81.0670447072748 | 7.9139577885098 | 0 | 155.721480406919 | 0 | 4.44479532712553 | 42.0924166477378 | 78.8304988221927 | 0 | 1.42806241675749 | |||||||||||||
| 14.41_817.8040m/z | 817.803971962132 | 1 | 14.4052166666667 | 0.829283333333334 | 0 | 0.00312374004828841 | Infinity | D6_MA_VO_M_T1 | Blank | 100 - 42.5 - 13.4 - 0.353 | 2873.98345730311 | 8.39 | 0 | 0 | 0 | 1613.37209429154 | 1570.14257334251 | 1776.29731836613 | 1680.81403150477 | 1780.86471448402 | 1671.07197765755 | 2032.53853668221 | 1830.81227071031 | 17.1159882484129 | 4997.94989727451 | 1171.83390224895 | 18.1613451147931 | 3678.5979720829 | 581.409738266315 | 53.9883927299003 | 3256.84654403493 | 1757.60044245849 | 3990.36647214772 | 4756.87071734454 | 78.9475125436659 | 110.431749342175 | 1677.06008158389 | 2215.01510975187 | 915.209873602501 | 12.3122797391615 | 3704.07826077312 | 20.6632367034935 | 711.176751352476 | 3134.09089978352 | 2143.09518551566 | 29.4185016119904 | 804.422634824491 | 0 | 0 | 0 | 1633.07823106298 | 1577.48815377265 | 1808.75474984381 | 1680.81403150477 | 1684.93142651438 | 1025.4202072876 | 770.157991535977 | 729.821884831295 | 15.6826211328682 | 7999.74983518049 | 1081.68238016182 | 16.1388244628864 | 5715.34651791766 | 264.024691042826 | 33.0307314395904 | 4825.9021352032 | 871.765349626486 | 5358.47002219321 | 7943.2075221026 | 63.2904968261839 | 96.1355232071019 | 1850.11118790438 | 2847.66697088752 | 718.494178941232 | 11.3634033203029 | 3917.88310152966 | 18.2336274559059 | 526.944058706037 | 2356.0817553511 | 2264.24848253069 | 27.2865687343411 | 616.969184189746 |
