ID,mz,rt,adduct,tag,set,Name,known,SMILES,Formula,file
101233722,462.990336086,,[M-H]-,STD,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
101233722,462.990336086,,[M-H]-,F6,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
101233722,462.990336086,,[M-H]-,F1,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
101233722,462.990336086,,[M-H]-,F2,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
101233722,462.990336086,,[M-H]-,F3,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
101233722,462.990336086,,[M-H]-,F4,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
101233722,462.990336086,,[M-H]-,F5,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
101233722,462.990336086,,[M-H]-,F7,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
101233722,462.990336086,,[M-H]-,F8,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,structure,COC1=C(C(=CC=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC,C13H9F9O6S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
102330282,393.02124229,,[M-H]-,STD,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
102330282,393.02124229,,[M-H]-,F6,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
102330282,393.02124229,,[M-H]-,F1,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
102330282,393.02124229,,[M-H]-,F2,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
102330282,393.02124229,,[M-H]-,F3,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
102330282,393.02124229,,[M-H]-,F4,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
102330282,393.02124229,,[M-H]-,F5,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
102330282,393.02124229,,[M-H]-,F7,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
102330282,393.02124229,,[M-H]-,F8,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
10974431,680.926865002,,[M-H]-,STD,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
10974431,680.926865002,,[M-H]-,F6,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
10974431,680.926865002,,[M-H]-,F1,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
10974431,680.926865002,,[M-H]-,F2,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
10974431,680.926865002,,[M-H]-,F3,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
10974431,680.926865002,,[M-H]-,F4,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
10974431,680.926865002,,[M-H]-,F5,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
10974431,680.926865002,,[M-H]-,F7,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
10974431,680.926865002,,[M-H]-,F8,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H2F24O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
11199840,379.005592226,,[M-H]-,STD,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
11199840,379.005592226,,[M-H]-,F6,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
11199840,379.005592226,,[M-H]-,F1,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
11199840,379.005592226,,[M-H]-,F2,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
11199840,379.005592226,,[M-H]-,F3,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
11199840,379.005592226,,[M-H]-,F4,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
11199840,379.005592226,,[M-H]-,F5,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
11199840,379.005592226,,[M-H]-,F7,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
11199840,379.005592226,,[M-H]-,F8,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
11495034,399.969541076,,[M-H]-,STD,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
11495034,399.969541076,,[M-H]-,F6,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
11495034,399.969541076,,[M-H]-,F1,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
11495034,399.969541076,,[M-H]-,F2,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
11495034,399.969541076,,[M-H]-,F3,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
11495034,399.969541076,,[M-H]-,F4,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
11495034,399.969541076,,[M-H]-,F5,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
11495034,399.969541076,,[M-H]-,F7,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
11495034,399.969541076,,[M-H]-,F8,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
118270967,494.022639288,,[M-H]-,STD,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
118270967,494.022639288,,[M-H]-,F6,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
118270967,494.022639288,,[M-H]-,F1,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
118270967,494.022639288,,[M-H]-,F2,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
118270967,494.022639288,,[M-H]-,F3,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
118270967,494.022639288,,[M-H]-,F4,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
118270967,494.022639288,,[M-H]-,F5,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
118270967,494.022639288,,[M-H]-,F7,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
118270967,494.022639288,,[M-H]-,F8,PFAS,"1-Methyl-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
118534026,500.901826758,,[M-H]-,STD,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
118534026,500.901826758,,[M-H]-,F6,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
118534026,500.901826758,,[M-H]-,F1,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
118534026,500.901826758,,[M-H]-,F2,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
118534026,500.901826758,,[M-H]-,F3,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
118534026,500.901826758,,[M-H]-,F4,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
118534026,500.901826758,,[M-H]-,F5,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
118534026,500.901826758,,[M-H]-,F7,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
118534026,500.901826758,,[M-H]-,F8,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",structure,COC(=O)C1=C(C(=C(C=C1)Cl)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H5Cl2F9O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
125492839,465.956783502,,[M-H]-,STD,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
125492839,465.956783502,,[M-H]-,F6,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
125492839,465.956783502,,[M-H]-,F1,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
125492839,465.956783502,,[M-H]-,F2,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
125492839,465.956783502,,[M-H]-,F3,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
125492839,465.956783502,,[M-H]-,F4,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
125492839,465.956783502,,[M-H]-,F5,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
125492839,465.956783502,,[M-H]-,F7,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
125492839,465.956783502,,[M-H]-,F8,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C12H7ClF9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
125511108,455.995755824,,[M-H]-,STD,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
125511108,455.995755824,,[M-H]-,F6,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
125511108,455.995755824,,[M-H]-,F1,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
125511108,455.995755824,,[M-H]-,F2,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
125511108,455.995755824,,[M-H]-,F3,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
125511108,455.995755824,,[M-H]-,F4,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
125511108,455.995755824,,[M-H]-,F5,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
125511108,455.995755824,,[M-H]-,F7,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
125511108,455.995755824,,[M-H]-,F8,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,structure,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
12842393,352.989942162,,[M-H]-,STD,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
12842393,352.989942162,,[M-H]-,F6,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
12842393,352.989942162,,[M-H]-,F1,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
12842393,352.989942162,,[M-H]-,F2,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
12842393,352.989942162,,[M-H]-,F3,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
12842393,352.989942162,,[M-H]-,F4,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
12842393,352.989942162,,[M-H]-,F5,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
12842393,352.989942162,,[M-H]-,F7,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
12842393,352.989942162,,[M-H]-,F8,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,structure,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
12842396,364.989942162,,[M-H]-,STD,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
12842396,364.989942162,,[M-H]-,F6,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
12842396,364.989942162,,[M-H]-,F1,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
12842396,364.989942162,,[M-H]-,F2,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
12842396,364.989942162,,[M-H]-,F3,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
12842396,364.989942162,,[M-H]-,F4,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
12842396,364.989942162,,[M-H]-,F5,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
12842396,364.989942162,,[M-H]-,F7,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
12842396,364.989942162,,[M-H]-,F8,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,structure,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
12848472,314.93790659,,[M-H]-,STD,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
12848472,314.93790659,,[M-H]-,F6,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
12848472,314.93790659,,[M-H]-,F1,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
12848472,314.93790659,,[M-H]-,F2,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
12848472,314.93790659,,[M-H]-,F3,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
12848472,314.93790659,,[M-H]-,F4,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
12848472,314.93790659,,[M-H]-,F5,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
12848472,314.93790659,,[M-H]-,F7,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
12848472,314.93790659,,[M-H]-,F8,PFAS,Nonafluorobutaneperoxysulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
13168750,425.98519114,,[M-H]-,STD,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
13168750,425.98519114,,[M-H]-,F6,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
13168750,425.98519114,,[M-H]-,F1,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
13168750,425.98519114,,[M-H]-,F2,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
13168750,425.98519114,,[M-H]-,F3,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
13168750,425.98519114,,[M-H]-,F4,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
13168750,425.98519114,,[M-H]-,F5,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
13168750,425.98519114,,[M-H]-,F7,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
13168750,425.98519114,,[M-H]-,F8,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,structure,C1=CC2=C(C(=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=CC=C2,C13H6F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
13172602,624.908910456,,[M-H]-,STD,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
13172602,624.908910456,,[M-H]-,F6,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
13172602,624.908910456,,[M-H]-,F1,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
13172602,624.908910456,,[M-H]-,F2,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
13172602,624.908910456,,[M-H]-,F3,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
13172602,624.908910456,,[M-H]-,F4,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
13172602,624.908910456,,[M-H]-,F5,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
13172602,624.908910456,,[M-H]-,F7,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
13172602,624.908910456,,[M-H]-,F8,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",structure,C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H4F18O6S2,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
138402797,427.086916556,,[M-H]-,STD,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
138402797,427.086916556,,[M-H]-,F6,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
138402797,427.086916556,,[M-H]-,F1,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
138402797,427.086916556,,[M-H]-,F2,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
138402797,427.086916556,,[M-H]-,F3,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
138402797,427.086916556,,[M-H]-,F4,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
138402797,427.086916556,,[M-H]-,F5,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
138402797,427.086916556,,[M-H]-,F7,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
138402797,427.086916556,,[M-H]-,F8,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
14292219,394.961676666,,[M-H]-,STD,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
14292219,394.961676666,,[M-H]-,F6,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
14292219,394.961676666,,[M-H]-,F1,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
14292219,394.961676666,,[M-H]-,F2,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
14292219,394.961676666,,[M-H]-,F3,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
14292219,394.961676666,,[M-H]-,F4,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
14292219,394.961676666,,[M-H]-,F5,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
14292219,394.961676666,,[M-H]-,F7,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
14292219,394.961676666,,[M-H]-,F8,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
22023893,390.969206718,,[M-H]-,STD,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
22023893,390.969206718,,[M-H]-,F6,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
22023893,390.969206718,,[M-H]-,F1,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
22023893,390.969206718,,[M-H]-,F2,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
22023893,390.969206718,,[M-H]-,F3,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
22023893,390.969206718,,[M-H]-,F4,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
22023893,390.969206718,,[M-H]-,F5,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
22023893,390.969206718,,[M-H]-,F7,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
22023893,390.969206718,,[M-H]-,F8,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,structure,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
23505222,412.952254834,,[M-H]-,STD,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
23505222,412.952254834,,[M-H]-,F6,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
23505222,412.952254834,,[M-H]-,F1,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
23505222,412.952254834,,[M-H]-,F2,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
23505222,412.952254834,,[M-H]-,F3,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
23505222,412.952254834,,[M-H]-,F4,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
23505222,412.952254834,,[M-H]-,F5,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
23505222,412.952254834,,[M-H]-,F7,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
23505222,412.952254834,,[M-H]-,F8,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
2777144,380.946026602,,[M-H]-,STD,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
2777144,380.946026602,,[M-H]-,F6,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
2777144,380.946026602,,[M-H]-,F1,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
2777144,380.946026602,,[M-H]-,F2,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
2777144,380.946026602,,[M-H]-,F3,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
2777144,380.946026602,,[M-H]-,F4,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
2777144,380.946026602,,[M-H]-,F5,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
2777144,380.946026602,,[M-H]-,F7,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
2777144,380.946026602,,[M-H]-,F8,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",structure,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
2778025,370.982518716,,[M-H]-,STD,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
2778025,370.982518716,,[M-H]-,F6,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
2778025,370.982518716,,[M-H]-,F1,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
2778025,370.982518716,,[M-H]-,F2,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
2778025,370.982518716,,[M-H]-,F3,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
2778025,370.982518716,,[M-H]-,F4,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
2778025,370.982518716,,[M-H]-,F5,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
2778025,370.982518716,,[M-H]-,F7,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
2778025,370.982518716,,[M-H]-,F8,PFAS,Trimethylsilyl nonafluorobutanesulfonate,structure,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
2782371,480.939639402,,[M-H]-,STD,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
2782371,480.939639402,,[M-H]-,F6,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
2782371,480.939639402,,[M-H]-,F1,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
2782371,480.939639402,,[M-H]-,F2,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
2782371,480.939639402,,[M-H]-,F3,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
2782371,480.939639402,,[M-H]-,F4,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
2782371,480.939639402,,[M-H]-,F5,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
2782371,480.939639402,,[M-H]-,F7,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
2782371,480.939639402,,[M-H]-,F8,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H2F16O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
2782761,312.958642034,,[M-H]-,STD,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
2782761,312.958642034,,[M-H]-,F6,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
2782761,312.958642034,,[M-H]-,F1,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
2782761,312.958642034,,[M-H]-,F2,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
2782761,312.958642034,,[M-H]-,F3,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
2782761,312.958642034,,[M-H]-,F4,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
2782761,312.958642034,,[M-H]-,F5,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
2782761,312.958642034,,[M-H]-,F7,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
2782761,312.958642034,,[M-H]-,F8,PFAS,Methyl nonafluorobutanesulfonate,structure,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
3018866,698.91744317,,[M-H]-,STD,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
3018866,698.91744317,,[M-H]-,F6,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
3018866,698.91744317,,[M-H]-,F1,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
3018866,698.91744317,,[M-H]-,F2,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
3018866,698.91744317,,[M-H]-,F3,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
3018866,698.91744317,,[M-H]-,F4,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
3018866,698.91744317,,[M-H]-,F5,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
3018866,698.91744317,,[M-H]-,F7,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
3018866,698.91744317,,[M-H]-,F8,PFAS,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecane-1-sulphonic acid",structure,C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,C12HF25O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
4149914,324.958642034,,[M-H]-,STD,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
4149914,324.958642034,,[M-H]-,F6,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
4149914,324.958642034,,[M-H]-,F1,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
4149914,324.958642034,,[M-H]-,F2,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
4149914,324.958642034,,[M-H]-,F3,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
4149914,324.958642034,,[M-H]-,F4,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
4149914,324.958642034,,[M-H]-,F5,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
4149914,324.958642034,,[M-H]-,F7,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
4149914,324.958642034,,[M-H]-,F8,PFAS,Vinyl nonafluoro-1-butanesulfonate,structure,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
4281884,629.038074126,,[M-H]-,STD,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
4281884,629.038074126,,[M-H]-,F6,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
4281884,629.038074126,,[M-H]-,F1,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
4281884,629.038074126,,[M-H]-,F2,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
4281884,629.038074126,,[M-H]-,F3,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
4281884,629.038074126,,[M-H]-,F4,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
4281884,629.038074126,,[M-H]-,F5,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
4281884,629.038074126,,[M-H]-,F7,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
4281884,629.038074126,,[M-H]-,F8,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",structure,CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C)OC(=O)C,C18H19F9O12S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
429733,374.974292098,,[M-H]-,STD,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
429733,374.974292098,,[M-H]-,F6,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
429733,374.974292098,,[M-H]-,F1,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
429733,374.974292098,,[M-H]-,F2,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
429733,374.974292098,,[M-H]-,F3,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
429733,374.974292098,,[M-H]-,F4,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
429733,374.974292098,,[M-H]-,F5,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
429733,374.974292098,,[M-H]-,F7,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
429733,374.974292098,,[M-H]-,F8,PFAS,Phenyl nonafluorobutane-1-sulfonate,structure,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
429734,388.989942162,,[M-H]-,STD,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
429734,388.989942162,,[M-H]-,F6,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
429734,388.989942162,,[M-H]-,F1,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
429734,388.989942162,,[M-H]-,F2,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
429734,388.989942162,,[M-H]-,F3,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
429734,388.989942162,,[M-H]-,F4,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
429734,388.989942162,,[M-H]-,F5,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
429734,388.989942162,,[M-H]-,F7,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
429734,388.989942162,,[M-H]-,F8,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
5003682,459.990670444,,[M-H]-,STD,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
5003682,459.990670444,,[M-H]-,F6,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
5003682,459.990670444,,[M-H]-,F1,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
5003682,459.990670444,,[M-H]-,F2,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
5003682,459.990670444,,[M-H]-,F3,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
5003682,459.990670444,,[M-H]-,F4,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
5003682,459.990670444,,[M-H]-,F5,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
5003682,459.990670444,,[M-H]-,F7,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
5003682,459.990670444,,[M-H]-,F8,PFAS,"2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",structure,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
5064701,431.995755824,,[M-H]-,STD,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
5064701,431.995755824,,[M-H]-,F6,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
5064701,431.995755824,,[M-H]-,F1,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
5064701,431.995755824,,[M-H]-,F2,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
5064701,431.995755824,,[M-H]-,F3,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
5064701,431.995755824,,[M-H]-,F4,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
5064701,431.995755824,,[M-H]-,F5,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
5064701,431.995755824,,[M-H]-,F7,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
5064701,431.995755824,,[M-H]-,F8,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,structure,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
51039934,438.94588446,,[M-H]-,STD,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
51039934,438.94588446,,[M-H]-,F6,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
51039934,438.94588446,,[M-H]-,F1,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
51039934,438.94588446,,[M-H]-,F2,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
51039934,438.94588446,,[M-H]-,F3,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
51039934,438.94588446,,[M-H]-,F4,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
51039934,438.94588446,,[M-H]-,F5,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
51039934,438.94588446,,[M-H]-,F7,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
51039934,438.94588446,,[M-H]-,F8,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,structure,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
53395688,233.040657624,,[M-H]-,STD,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
53395688,233.040657624,,[M-H]-,F6,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
53395688,233.040657624,,[M-H]-,F1,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
53395688,233.040657624,,[M-H]-,F2,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
53395688,233.040657624,,[M-H]-,F3,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
53395688,233.040657624,,[M-H]-,F4,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
53395688,233.040657624,,[M-H]-,F5,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
53395688,233.040657624,,[M-H]-,F7,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
53395688,233.040657624,,[M-H]-,F8,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",structure,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
56776505,362.955448434,,[M-H]-,STD,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
56776505,362.955448434,,[M-H]-,F6,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
56776505,362.955448434,,[M-H]-,F1,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
56776505,362.955448434,,[M-H]-,F2,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
56776505,362.955448434,,[M-H]-,F3,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
56776505,362.955448434,,[M-H]-,F4,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
56776505,362.955448434,,[M-H]-,F5,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
56776505,362.955448434,,[M-H]-,F7,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
56776505,362.955448434,,[M-H]-,F8,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",structure,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
67636,598.92383037,,[M-H]-,STD,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
67636,598.92383037,,[M-H]-,F6,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
67636,598.92383037,,[M-H]-,F1,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
67636,598.92383037,,[M-H]-,F2,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
67636,598.92383037,,[M-H]-,F3,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
67636,598.92383037,,[M-H]-,F4,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
67636,598.92383037,,[M-H]-,F5,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
67636,598.92383037,,[M-H]-,F7,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
67636,598.92383037,,[M-H]-,F8,PFAS,Perfluorodecane sulfonic acid,structure,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C10HF21O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
67734,398.93660477,,[M-H]-,STD,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
67734,398.93660477,,[M-H]-,F6,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
67734,398.93660477,,[M-H]-,F1,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
67734,398.93660477,,[M-H]-,F2,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
67734,398.93660477,,[M-H]-,F3,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
67734,398.93660477,,[M-H]-,F4,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
67734,398.93660477,,[M-H]-,F5,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
67734,398.93660477,,[M-H]-,F7,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
67734,398.93660477,,[M-H]-,F8,PFAS,Perfluorohexanesulfonic acid,structure,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
67815,298.94299197,,[M-H]-,STD,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
67815,298.94299197,,[M-H]-,F6,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
67815,298.94299197,,[M-H]-,F1,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
67815,298.94299197,,[M-H]-,F2,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
67815,298.94299197,,[M-H]-,F3,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
67815,298.94299197,,[M-H]-,F4,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
67815,298.94299197,,[M-H]-,F5,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
67815,298.94299197,,[M-H]-,F7,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
67815,298.94299197,,[M-H]-,F8,PFAS,Perfluorobutanesulfonic acid,structure,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
67820,448.93341117,,[M-H]-,STD,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
67820,448.93341117,,[M-H]-,F6,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
67820,448.93341117,,[M-H]-,F1,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
67820,448.93341117,,[M-H]-,F2,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
67820,448.93341117,,[M-H]-,F3,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
67820,448.93341117,,[M-H]-,F4,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
67820,448.93341117,,[M-H]-,F5,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
67820,448.93341117,,[M-H]-,F7,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
67820,448.93341117,,[M-H]-,F8,PFAS,Perfluoroheptanesulfonic acid,structure,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,C7HF15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
74483,498.93021757,,[M-H]-,STD,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
74483,498.93021757,,[M-H]-,F6,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
74483,498.93021757,,[M-H]-,F1,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
74483,498.93021757,,[M-H]-,F2,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
74483,498.93021757,,[M-H]-,F3,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
74483,498.93021757,,[M-H]-,F4,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
74483,498.93021757,,[M-H]-,F5,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
74483,498.93021757,,[M-H]-,F7,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
74483,498.93021757,,[M-H]-,F8,PFAS,Perfluorooctanesulfonic acid,structure,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8HF17O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
75922,348.93979837,,[M-H]-,STD,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
75922,348.93979837,,[M-H]-,F6,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
75922,348.93979837,,[M-H]-,F1,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
75922,348.93979837,,[M-H]-,F2,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
75922,348.93979837,,[M-H]-,F3,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
75922,348.93979837,,[M-H]-,F4,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
75922,348.93979837,,[M-H]-,F5,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
75922,348.93979837,,[M-H]-,F7,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
75922,348.93979837,,[M-H]-,F8,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",structure,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
86624658,430.942833002,,[M-H]-,STD,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
86624658,430.942833002,,[M-H]-,F6,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
86624658,430.942833002,,[M-H]-,F1,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
86624658,430.942833002,,[M-H]-,F2,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
86624658,430.942833002,,[M-H]-,F3,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
86624658,430.942833002,,[M-H]-,F4,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
86624658,430.942833002,,[M-H]-,F5,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
86624658,430.942833002,,[M-H]-,F7,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
86624658,430.942833002,,[M-H]-,F8,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",structure,C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H2F14O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
86638305,462.949061234,,[M-H]-,STD,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
86638305,462.949061234,,[M-H]-,F6,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
86638305,462.949061234,,[M-H]-,F1,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
86638305,462.949061234,,[M-H]-,F2,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
86638305,462.949061234,,[M-H]-,F3,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
86638305,462.949061234,,[M-H]-,F4,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
86638305,462.949061234,,[M-H]-,F5,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
86638305,462.949061234,,[M-H]-,F7,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
86638305,462.949061234,,[M-H]-,F8,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",structure,C(C(C(C(F)(F)F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C8H3F15O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
86998,548.92702397,,[M-H]-,STD,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
86998,548.92702397,,[M-H]-,F6,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
86998,548.92702397,,[M-H]-,F1,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
86998,548.92702397,,[M-H]-,F2,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
86998,548.92702397,,[M-H]-,F3,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
86998,548.92702397,,[M-H]-,F4,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
86998,548.92702397,,[M-H]-,F5,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
86998,548.92702397,,[M-H]-,F7,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
86998,548.92702397,,[M-H]-,F8,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",structure,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,C9HF19O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
89645965,463.00787793,,[M-H]-,STD,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
89645965,463.00787793,,[M-H]-,F6,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
89645965,463.00787793,,[M-H]-,F1,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
89645965,463.00787793,,[M-H]-,F2,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
89645965,463.00787793,,[M-H]-,F3,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
89645965,463.00787793,,[M-H]-,F4,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
89645965,463.00787793,,[M-H]-,F5,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
89645965,463.00787793,,[M-H]-,F7,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
89645965,463.00787793,,[M-H]-,F8,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",structure,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
91941215,880.914090602,,[M-H]-,STD,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
91941215,880.914090602,,[M-H]-,F6,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
91941215,880.914090602,,[M-H]-,F1,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
91941215,880.914090602,,[M-H]-,F2,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
91941215,880.914090602,,[M-H]-,F3,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
91941215,880.914090602,,[M-H]-,F4,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
91941215,880.914090602,,[M-H]-,F5,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
91941215,880.914090602,,[M-H]-,F7,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
91941215,880.914090602,,[M-H]-,F8,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H2F32O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML
98463141,580.933252202,,[M-H]-,STD,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML
98463141,580.933252202,,[M-H]-,F6,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML
98463141,580.933252202,,[M-H]-,F1,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML
98463141,580.933252202,,[M-H]-,F2,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML
98463141,580.933252202,,[M-H]-,F3,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML
98463141,580.933252202,,[M-H]-,F4,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML
98463141,580.933252202,,[M-H]-,F5,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML
98463141,580.933252202,,[M-H]-,F7,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML
98463141,580.933252202,,[M-H]-,F8,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",structure,C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H2F20O3S,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML