Selected Cell
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Value:
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D.SPC
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D.SIM
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| UID | Name | Protocol | Scientist | Vendor | Notes | ||||
| CHM-260213PLA-1 | NDMA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Restek | |||||
| CHM-260213PLA-2 | NMOR | https://fairdomhub.org/sops/886 | Nicolette Bugher | Sigma Aldrich | |||||
| CHM-260213PLA-3 | NPIP | https://fairdomhub.org/sops/886 | Nicolette Bugher | Cambridge Isotope Laboratories Inc | |||||
| CHM-260213PLA-4 | NDBA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Cambridge Isotope Laboratories Inc | |||||
| CHM-260213PLA-5 | NMEA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Restek | |||||
| CHM-260213PLA-6 | NPYR | https://fairdomhub.org/sops/886 | Nicolette Bugher | Restek | |||||
| CHM-260213PLA-7 | NDEA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Restek | |||||
| CHM-260213PLA-8 | NDPA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Restek | |||||
| CHM-260213PLA-9 | Isotopically Labeled NDMA | https://fairdomhub.org/sops/886 | Nicolette Bugher | Cambridge Isotope Laboratories Inc | |||||
| CHM-260213PLA-10 | dimethylformamide | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
| CHM-260213PLA-11 | 2-butanone | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
| CHM-260213PLA-12 | phenol | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
| CHM-260213PLA-13 | benzonitrile | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
| CHM-260213PLA-14 | anisole | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
| CHM-260213PLA-15 | diphenylamine | https://fairdomhub.org/sops/886 | Nicolette Bugher | Millipore Sigma | ReferenceCompound | ||||
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| UID | File_PrimaryData | Link_PrimaryData | Checksum_PrimaryData | Parent | Scientist | Protocol | Type | ConcentrationRange | Instrument | Detector | Software | Ionization | Link_QualityControlFile |
| D.SPC-260213PLA-1 | HPLC-QqQ-NDBA.xlsx | https://zenodo.org/records/18635800/files/HPLC-QqQ-NDBA.xlsx?download=1&preview=1 | 286de80e31df6637ff64c87e8ccb3765 | CHM-260213PLA-1; CHM-260213PLA-2; CHM-260213PLA-3; CHM-260213PLA-4; CHM-260213PLA-10; CHM-260213PLA-11; CHM-260213PLA-12; CHM-260213PLA-13; CHM-260213PLA-14; CHM-260213PLA-15 | Nicolette Bugher | https://fairdomhub.org/sops/887 | LC-MS/MS quantification (shake-flask partitioning) | 0.01 to 2 ug/mL | Agilent 1290 LC | Agilent 6495B triple quadrupole Ms (QqQ) | Agilent MassHunter | APCI, Positive Mode | https://zenodo.org/records/18635800/files/HPLC-QqQ-qualitycontrol.xlsx?download=1&preview=1 |
| D.SPC-260213PLA-2 | HPLC-QqQ-NDMA.xlsx | https://zenodo.org/records/18635800/files/HPLC-QqQ-NDMA.xlsx?download=1&preview=1 | cb19ca81757f50160a446cb5aede1585 | CHM-260213PLA-1; CHM-260213PLA-2; CHM-260213PLA-3; CHM-260213PLA-4; CHM-260213PLA-10; CHM-260213PLA-11; CHM-260213PLA-12; CHM-260213PLA-13; CHM-260213PLA-14; CHM-260213PLA-15 | Nicolette Bugher | https://fairdomhub.org/sops/887 | LC-MS/MS quantification (shake-flask partitioning) | 0.01 to 2 ug/mL | Agilent 1290 LC | Agilent 6495B triple quadrupole Ms (QqQ) | Agilent MassHunter | APCI, Positive Mode | https://zenodo.org/records/18635800/files/HPLC-QqQ-qualitycontrol.xlsx?download=1&preview=1 |
| D.SPC-260213PLA-3 | HPLC-QqQ-NMOR.xlsx | https://zenodo.org/records/18635800/files/HPLC-QqQ-NMOR.xlsx?download=1&preview=1 | 121e9483d44abfe9cf90288ea514a73c | CHM-260213PLA-1; CHM-260213PLA-2; CHM-260213PLA-3; CHM-260213PLA-4; CHM-260213PLA-10; CHM-260213PLA-11; CHM-260213PLA-12; CHM-260213PLA-13; CHM-260213PLA-14; CHM-260213PLA-15 | Nicolette Bugher | https://fairdomhub.org/sops/887 | LC-MS/MS quantification (shake-flask partitioning) | 0.01 to 2 ug/mL | Agilent 1290 LC | Agilent 6495B triple quadrupole Ms (QqQ) | Agilent MassHunter | APCI, Positive Mode | https://zenodo.org/records/18635800/files/HPLC-QqQ-qualitycontrol.xlsx?download=1&preview=1 |
| D.SPC-260213PLA-4 | HPLC-QqQ-NPIP.xlsx | https://zenodo.org/records/18635800/files/HPLC-QqQ-NPIP.xlsx?download=1&preview=1 | 7ae781c37f62ca1eba2ffdf234e5083b | CHM-260213PLA-1; CHM-260213PLA-2; CHM-260213PLA-3; CHM-260213PLA-4; CHM-260213PLA-10; CHM-260213PLA-11; CHM-260213PLA-12; CHM-260213PLA-13; CHM-260213PLA-14; CHM-260213PLA-15 | Nicolette Bugher | https://fairdomhub.org/sops/887 | LC-MS/MS quantification (shake-flask partitioning) | 0.01 to 2 ug/mL | Agilent 1290 LC | Agilent 6495B triple quadrupole Ms (QqQ) | Agilent MassHunter | APCI, Positive Mode | https://zenodo.org/records/18635800/files/HPLC-QqQ-qualitycontrol.xlsx?download=1&preview=1 |
| D.SPC-260213PLA-5 | HPLC-DAD-Raw.xlsx | https://zenodo.org/records/18635800/files/HPLC-DAD-Raw.xlsx?download=1&preview=1 | 258850bbb18290a77fbed579a3abe1ca | CHM-260213PLA-1; CHM-260213PLA-2; CHM-260213PLA-3; CHM-260213PLA-4; CHM-260213PLA-5; CHM-260213PLA-6; CHM-260213PLA-7; CHM-260213PLA-8; CHM-260213PLA-9; CHM-260213PLA-10; CHM-260213PLA-11; CHM-260213PLA-12; CHM-260213PLA-13; CHM-260213PLA-14; CHM-260213PLA-15 | Nicolette Bugher | https://fairdomhub.org/sops/887 | HPLC retention-time measurement (OECD 117 style) | 20 to 250 ppm | Agilent 1260 LC | G7117C diode-array detector (DAD) | Agilent OpenLab CDS v2.8 | ||
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| UID | File_PrimaryData | Link_PrimaryData | Checksum_PrimaryData | Parent | Scientist | Protocol | Software | ||
| A.SPC-260213PLA-1 | HPLC-DAD-Analyzed.xlsx | https://zenodo.org/records/18635800/files/HPLC-DAD-Analyzed.xlsx?download=1&preview=1 | 54b3b57df1580fe2d1c5c630d43a7f01 | D.SPC-260213PLA-5 | Nicolette Bugher | https://fairdomhub.org/sops/887 | https://github.com/nbugher/Nitrosamines-LogKow-Determination | ||
| A.SPC-260213PLA-2 | HPLC-QqQ-IntegratedAnalysis.xlsx | https://zenodo.org/records/18635800/files/HPLC-QqQ-IntegratedAnalysis.xlsx?download=1&preview=1 | e9e2a16660dac5fd92c6ad22743bd303 | D.SPC-260213PLA-1; D.SPC-260213PLA-2; D.SPC-260213PLA-3; D.SPC-260213PLA-4 | Nicolette Bugher | https://fairdomhub.org/sops/887 | https://github.com/nbugher/Nitrosamines-LogKow-Determination | ||
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| UID | File_PrimaryData | Link_PrimaryData | Checksum_PrimaryData | Type | Scientist | Protocol | |||
| D.SIM-260213PLA-1 | COSMO-RS.xlsx | https://zenodo.org/records/18635800/files/COSMO-RS.xlsx?download=1&preview=1 | 912f5078dccbe2d4f8072a202e2d633d | COSMO-RS | Nicolette Bugher | https://fairdomhub.org/sops/888 | |||
| D.SIM-260213PLA-2 | QSPR.xlsx | https://zenodo.org/records/18635800/files/QSPR.xlsx?download=1&preview=1 | 2eeec9fa3154a0405c99d03a74a67961 | QSPR | Nicolette Bugher | https://fairdomhub.org/sops/888 | |||
