tag,adduct,ID,RT,set,Name,file,SMILES,Formula,mz,known
STD,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
STD,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
STD,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
STD,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
STD,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
STD,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
STD,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
STD,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
STD,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
STD,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
STD,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
STD,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
STD,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
STD,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
STD,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
STD,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
STD,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
STD,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
STD,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
STD,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
STD,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
STD,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
STD,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
STD,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
STD,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
STD,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,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,,structure
STD,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
STD,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/PFAS_10ppb_10uL.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F6,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F6,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F6,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F6,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F6,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F6,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F6,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F6,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F6,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F6,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F6,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F6,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F6,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F6,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F6,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F6,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F6,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F6,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F6,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F6,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F6,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F6,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F6,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F6,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F6,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F6,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,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,,structure
F6,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F6,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_0857_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F1,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F1,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F1,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F1,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F1,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F1,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F1,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F1,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F1,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F1,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F1,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F1,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F1,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F1,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F1,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F1,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F1,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F1,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F1,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F1,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F1,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F1,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F1,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F1,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F1,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F1,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,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,,structure
F1,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F1,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07970_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F2,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F2,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F2,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F2,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F2,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F2,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F2,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F2,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F2,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F2,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F2,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F2,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F2,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F2,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F2,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F2,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F2,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F2,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F2,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F2,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F2,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F2,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F2,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F2,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F2,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F2,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,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,,structure
F2,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F2,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07971_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F3,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F3,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F3,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F3,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F3,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F3,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F3,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F3,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F3,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F3,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F3,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F3,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F3,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F3,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F3,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F3,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F3,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F3,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F3,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F3,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F3,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F3,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F3,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F3,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F3,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F3,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,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,,structure
F3,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F3,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07972_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F4,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F4,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F4,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F4,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F4,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F4,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F4,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F4,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F4,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F4,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F4,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F4,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F4,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F4,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F4,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F4,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F4,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F4,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F4,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F4,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F4,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F4,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F4,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F4,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F4,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F4,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,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,,structure
F4,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F4,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_07973_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F5,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F5,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F5,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F5,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F5,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F5,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F5,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F5,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F5,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F5,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F5,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F5,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F5,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F5,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F5,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F5,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F5,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F5,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F5,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F5,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F5,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F5,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F5,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F5,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F5,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F5,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,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,,structure
F5,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F5,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08056_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F7,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F7,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F7,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F7,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F7,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F7,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F7,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F7,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F7,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F7,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F7,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F7,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F7,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F7,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F7,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F7,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F7,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F7,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F7,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F7,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F7,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F7,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F7,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F7,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F7,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F7,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,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,,structure
F7,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F7,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08058_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure
F8,[M-H]-,67636,,PFAS,Perfluorodecane sulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,67734,,PFAS,Perfluorohexanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,C6HF13O3S,,structure
F8,[M-H]-,67815,,PFAS,Perfluorobutanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,C4HF9O3S,,structure
F8,[M-H]-,67820,,PFAS,Perfluoroheptanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,74483,,PFAS,Perfluorooctanesulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,75922,,PFAS,"1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,C5HF11O3S,,structure
F8,[M-H]-,86998,,PFAS,"1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,429733,,PFAS,Phenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O3S,,structure
F8,[M-H]-,429734,,PFAS,"(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H7F9O3S,,structure
F8,[M-H]-,2777144,,PFAS,"2,2,2-Trifluoroethyl Nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H2F12O3S,,structure
F8,[M-H]-,2778025,,PFAS,Trimethylsilyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C[Si](C)(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H9F9O3SSi,,structure
F8,[M-H]-,2782371,,PFAS,"2,2,3,3,4,4,4-Heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,2782761,,PFAS,Methyl nonafluorobutanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C5H3F9O3S,,structure
F8,[M-H]-,3018866,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,4149914,,PFAS,Vinyl nonafluoro-1-butanesulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F9O3S,,structure
F8,[M-H]-,4281884,,PFAS,"[3,4,6-Triacetyloxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)oxan-2-yl]methyl Acetate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,5003682,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C13H8F9NO5S,,structure
F8,[M-H]-,5064701,,PFAS,4-Acetamidophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H8F9NO4S,,structure
F8,[M-H]-,10974431,,PFAS,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,11199840,,PFAS,Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H9F9O3S,,structure
F8,[M-H]-,11495034,,PFAS,"2-Cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1=CC=C(C(=C1)C#N)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H4F9NO3S,,structure
F8,[M-H]-,12842393,,PFAS,2-Methylprop-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C,C8H7F9O3S,,structure
F8,[M-H]-,12842396,,PFAS,Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C9H7F9O3S,,structure
F8,[M-H]-,12848472,,PFAS,Nonafluorobutaneperoxysulfonic acid,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(C(F)(F)S(=O)(=O)OO)(F)F)(C(F)(F)F)(F)F,C4HF9O4S,,structure
F8,[M-H]-,13168750,,PFAS,8-(Nonafluorobutylsulfonyloxy)quinoline,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,13172602,,PFAS,"1,2-Ethanediyl bis(perfluorobutanesulfonate)",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,14292219,,PFAS,"1,1,1-Trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H4F12O3S,,structure
F8,[M-H]-,22023893,,PFAS,4-Hydroxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C10H5F9O4S,,structure
F8,[M-H]-,23505222,,PFAS,"2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C7H3F13O3S,,structure
F8,[M-H]-,51039934,,PFAS,2-Chloro-4-methoxyphenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,COC1=CC(=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl,C11H6ClF9O4S,,structure
F8,[M-H]-,53395688,,PFAS,"1,1,1,7,7,7-Hexafluoro-5-methylhept-4-en-3-one",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC(=CC(=O)CC(F)(F)F)CC(F)(F)F,C8H8F6O,,structure
F8,[M-H]-,56776505,,PFAS,"2,2-Difluoroethyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C6H3F11O3S,,structure
F8,[M-H]-,86624658,,PFAS,"2,2,3,3,3-Pentafluoropropyl nonafluorobutanesulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,86638305,,PFAS,"2,2,3,4,4,4-Hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,89645965,,PFAS,"Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,C11H11F11O5S,,structure
F8,[M-H]-,91941215,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,98463141,,PFAS,"2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,101233722,,PFAS,2-(Nonafluorobutylsulfonyloxy)-6-methoxybenzoic acid methyl ester,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,102330282,,PFAS,Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C11H11F9O3S,,structure
F8,[M-H]-,118270967,,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",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC1=NN=C2N1C3=CC=CC=C3C(=CC2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C16H10F9N3O3S,,structure
F8,[M-H]-,118534026,,PFAS,"Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,125492839,,PFAS,4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,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,,structure
F8,[M-H]-,125511108,,PFAS,6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate,C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C14H8F9NO4S,,structure
F8,[M-H]-,138402797,,PFAS,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C:/Users/test/Documents/R_projects/200_PFAS/negative_Hydrogen/December2020/MZml/water_20_08059_NEG.mzML,CC[N+](CC)(CC)C(C)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,C12H19F9NO3S+,,structure