Number,Chemical_DB_ID,Library,Mix_ID,Metabolite_Name,C18pos .Filename,MolecularFormula,MonoisotopicMass,PubMedRefCount,PatentCount,PubChem_CID,Standard_class,Processed,InChiKey,InChiKey14,C18pos.pred_mz,C18pos.rt,C18pos.Final_mz,C18pos.Final_rt,C18pos.Final_adduct,C18pos.adduct,C18pos.number_adducts_detected,C18pos.detected_adducts,C18pos.Adduct_Calc_mz,C18pos.peak_area,C18pos.mass_error,C18pos.MSMS_detected,C18pos.MSMS_collected,C18pos.MSMS_purity,C18pos.flags
1,HRELC_01051,EPA_PFAS,EPA_PFAS_1,3-(Perfluoropropyl)propanol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_006,C6H7F7O,228.03851198,0,70,2774911,PFAS,10/19/22,VACKBPFJJWRSAO-UHFFFAOYSA-N,VACKBPFJJWRSAO,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
2,HRELC_01052,EPA_PFAS,EPA_PFAS_2,10:1 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_007,C11H3F21O,549.9848561,0,135,2776412,PFAS,10/19/22,MPAMAEMOVKLPRB-UHFFFAOYSA-N,MPAMAEMOVKLPRB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
3,HRELC_01053,EPA_PFAS,EPA_PFAS_3,"1H,1H,2H-Perfluoro-1-decene",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_008,C10H3F17,445.9963289,1,1499,88990,PFAS,10/19/22,NKAMGQZDVMQEJL-UHFFFAOYSA-N,NKAMGQZDVMQEJL,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
4,HRELC_01054,EPA_PFAS,EPA_PFAS_4,6H-Perfluorohex-1-ene,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_009,C6HF11,281.99025981,0,38,2776155,PFAS,10/19/22,DDWZJDVOCYVHKD-UHFFFAOYSA-N,DDWZJDVOCYVHKD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
5,HRELC_01055,EPA_PFAS,EPA_PFAS_5,11:1 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_010,C12H3F23O,599.9816624,0,205,2760321,PFAS,10/19/22,SHTZQFTXUMCALC-UHFFFAOYSA-N,SHTZQFTXUMCALC,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
6,HRELC_01056,EPA_PFAS,EPA_PFAS_6,Perfluoroheptanesulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_011,C7HF15O3S,449.9406875,4,1567,67820,PFAS,10/19/22,OYGQVDSRYXATEL-UHFFFAOYSA-N,OYGQVDSRYXATEL,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
7,HRELC_01057,EPA_PFAS,EPA_PFAS_7,Perfluoro-3-methoxypropanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_012,C4HF7O3,229.98139102,0,19,120228,PFAS,10/19/22,AGIMOOYNBDLMJV-UHFFFAOYSA-N,AGIMOOYNBDLMJV,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
8,HRELC_01058,EPA_PFAS,EPA_PFAS_8,"1-(Perfluorofluorooctyl)propane-2,3-diol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_013,C11H7F17O2,494.0174582,0,616,2776406,PFAS,10/19/22,CGRIOEGIXRPCJU-UHFFFAOYSA-N,CGRIOEGIXRPCJU,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
9,HRELC_01059,EPA_PFAS,EPA_PFAS_9,Perfluoro-3-(1H-perfluoroethoxy)propane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_014,C5HF11O,285.98517443,0,143,94258,PFAS,10/19/22,CUTPKDUMZWIJKT-UHFFFAOYSA-N,CUTPKDUMZWIJKT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
10,HRELC_01060,EPA_PFAS,EPA_PFAS_10,Perfluorooctanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_015,C8HF15O2,413.9737017,1260,11536,9554,PFAS,10/19/22,SNGREZUHAYWORS-UHFFFAOYSA-N,SNGREZUHAYWORS,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
11,HRELC_01061,EPA_PFAS,EPA_PFAS_11,Ammonium perfluoro-2-methyl-3-oxahexanoate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_016,C6HF11O3,329.97500367,11,327,114481,PFAS,10/19/22,CSEBNABAWMZWIF-UHFFFAOYSA-N,CSEBNABAWMZWIF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
12,HRELC_01062,EPA_PFAS,EPA_PFAS_12,2-(Perfluorobutyl)-1-ethanesulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_017,C6H5F9O3S,327.98156865,0,65,20734543,PFAS,10/19/22,TXGIGTRUEITPSC-UHFFFAOYSA-N,TXGIGTRUEITPSC,346.0153916,280.012554,,,,M+NH4,1,M+NH4,346.0154,46060.89844,7.84,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
13,HRELC_01063,EPA_PFAS,EPA_PFAS_13,"Bis(1H,1H-perfluoropropyl)amine",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_018,C6H5F10N,281.02623078,0,583,2782229,PFAS,10/19/22,GFCAENPEZRYHBS-UHFFFAOYSA-N,GFCAENPEZRYHBS,282.0335072,293.022006,,,,M+H,2,M+H; M+ACN+H,282.0335  323.0601,146913.3906,3.07,No,ND,ND,Low peak area; No MSMS detected; 
14,HRELC_01064,EPA_PFAS,EPA_PFAS_14,Hexafluoroglutaryl chloride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_019,C5Cl2F6O2,275.9179536,0,455,69621,PFAS,10/19/22,QOLALWJWCONGMG-UHFFFAOYSA-N,QOLALWJWCONGMG,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
15,HRELC_01065,EPA_PFAS,EPA_PFAS_15,(Heptafluorobutanoyl)pivaloylmethane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_020,C10H11F7O2,296.06472672,4,2021,28614,PFAS,10/19/22,SQNZLBOJCWQLGQ-UHFFFAOYSA-N,SQNZLBOJCWQLGQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
16,HRELC_01066,EPA_PFAS,EPA_PFAS_16,Perfluorotetradecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_021,C14HF27O2,713.9545396,31,1043,67822,PFAS,10/19/22,RUDINRUXCKIXAJ-UHFFFAOYSA-N,RUDINRUXCKIXAJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
17,HRELC_01067,EPA_PFAS,EPA_PFAS_17,"3,3,4,4,5,5,6,6,6-Nonafluorohexene",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_022,C6H3F9,246.00910355,2,12058,88054,PFAS,10/19/22,GVEUEBXMTMZVSD-UHFFFAOYSA-N,GVEUEBXMTMZVSD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
18,HRELC_01068,EPA_PFAS,EPA_PFAS_18,Allyl perfluoroisopropyl ether,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_023,C6H5F7O,226.02286191,0,288,2735866,PFAS,10/19/22,FXUHCQHWDACOKK-UHFFFAOYSA-N,FXUHCQHWDACOKK,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
19,HRELC_01069,EPA_PFAS,EPA_PFAS_19,Perfluorobutanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_024,C4HF7O2,213.9864764,207,13257,9777,PFAS,10/19/22,YPJUNDFVDDCYIH-UHFFFAOYSA-N,YPJUNDFVDDCYIH,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
20,HRELC_01070,EPA_PFAS,EPA_PFAS_20,1-Propenylperfluoropropane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_025,C6H5F7,210.02794729,0,141,2774912,PFAS,10/19/22,HVOUHYGSLBPLGT-UHFFFAOYSA-N,HVOUHYGSLBPLGT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
21,HRELC_01071,EPA_PFAS,EPA_PFAS_21,"Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_026,C9HF17O4,495.9603373,0,205,93076,PFAS,10/19/22,OIVQVBDAMYDDEM-UHFFFAOYSA-N,OIVQVBDAMYDDEM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
22,HRELC_01072,EPA_PFAS,EPA_PFAS_22,Perfluoropentanamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_027,C5H3F8NO,245.00868902,0,2,2063303,PFAS,10/19/22,QNNUQHBPTQVSFD-UHFFFAOYSA-N,QNNUQHBPTQVSFD,228.0059893,427.132656,,,,M+H-H2O,2,M+H-H2O; M+ACN+H,228.0065  287.0425,2281011.5,9.01,No,ND,ND,M+H not detected; Peaks with two rt present; No MSMS detected; 
23,HRELC_01073,EPA_PFAS,EPA_PFAS_23,(Perfluoro-5-methylhexyl)ethyl 2-methylprop-2-enoate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_028,C13H9F15O2,482.036302,0,599,2776222,PFAS,10/19/22,SAIYGCOTLRCBJP-UHFFFAOYSA-N,SAIYGCOTLRCBJP,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
24,HRELC_01074,EPA_PFAS,EPA_PFAS_24,3:3 Fluorotelomer carboxylic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_029,C6H5F7O2,242.01777653,0,172,2774909,PFAS,10/19/22,ISFKSWMQWIRDNC-UHFFFAOYSA-N,ISFKSWMQWIRDNC,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
25,HRELC_01075,EPA_PFAS,EPA_PFAS_25,"1H,1H,5H-Perfluoropentanol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_030,C5H4F8O,232.01344004,2,4264,9641,PFAS,10/19/22,JUGSKHLZINSXPQ-UHFFFAOYSA-N,JUGSKHLZINSXPQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
26,HRELC_01076,EPA_PFAS,EPA_PFAS_26,Perfluorobutanesulfonyl fluoride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_031,C4F10O2S,301.94593203,9,6457,67814,PFAS,10/19/22,LUYQYZLEHLTPBH-UHFFFAOYSA-N,LUYQYZLEHLTPBH,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
27,HRELC_01077,EPA_PFAS,EPA_PFAS_27,Sevoflurane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_032,C4H3F7O,200.00721185,4832,14802,5206,PFAS,10/19/22,DFEYYRMXOJXZRJ-UHFFFAOYSA-N,DFEYYRMXOJXZRJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
28,HRELC_01078,EPA_PFAS,EPA_PFAS_28,Perfluorooct-1-ene,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_033,C8F16,399.9744506,0,2834,2782409,PFAS,10/19/22,YCBPKOZNGFQMPB-UHFFFAOYSA-N,YCBPKOZNGFQMPB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
29,HRELC_01079,EPA_PFAS,EPA_PFAS_29,"1H,1H,2H,2H-Perfluorohexyl iodide",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_034,C6H4F9I,373.9214,0,603,74887,PFAS,10/19/22,CXHFIVFPHDGZIS-UHFFFAOYSA-N,CXHFIVFPHDGZIS,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
30,HRELC_01080,EPA_PFAS,EPA_PFAS_30,Perfluamine,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_035,C9F21N,520.9695404,2,6816,67645,PFAS,10/19/22,JAJLKEVKNDUJBG-UHFFFAOYSA-N,JAJLKEVKNDUJBG,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
31,HRELC_01081,EPA_PFAS,EPA_PFAS_31,Flurothyl,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_036,C4H4F6O,182.01663372,117,4543,9528,PFAS,10/19/22,KGPPDNUWZNWPSI-UHFFFAOYSA-N,KGPPDNUWZNWPSI,205.0058519,33.3718506,,,,M+Na,1,M+Na,205.0059,152262.7969,-9.88,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
32,HRELC_01082,EPA_PFAS,EPA_PFAS_32,Heptafluorobutyl iodide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_037,C4H2F7I,309.90894,0,112,67806,PFAS,10/19/22,AFHPVXVEXINDFS-UHFFFAOYSA-N,AFHPVXVEXINDFS,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
33,HRELC_01083,EPA_PFAS,EPA_PFAS_33,"1,1,1,3,3-Pentafluorobutane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_038,C4H5F5,148.03114097,2,19280,67884,PFAS,10/19/22,WZLFPVPRZGTCKP-UHFFFAOYSA-N,WZLFPVPRZGTCKP,186.9942992,33.9265632,,,,M+K,1,M+K,186.9943,986237.3125,-6.3,Yes,Not collected due to MSMS purity,0.599,Low peak area; M+H not detected; MSMS not collected due to low quality; 
34,HRELC_01084,EPA_PFAS,EPA_PFAS_34,"2,2,3,3,4,4,4-Heptafluorobutyl methacrylate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_039,C8H7F7O2,268.0334266,2,3973,83666,PFAS,10/19/22,VIEHKBXCWMMOOU-UHFFFAOYSA-N,VIEHKBXCWMMOOU,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
35,HRELC_01085,EPA_PFAS,EPA_PFAS_35,Perfluoro-1-iodohexane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_040,C6F13I,445.88371,4,2398,67733,PFAS,10/19/22,BULLJMKUVKYZDJ-UHFFFAOYSA-N,BULLJMKUVKYZDJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
36,HRELC_01086,EPA_PFAS,EPA_PFAS_36,Perfluoro-4-isopropoxybutanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_041,C7HF13O3,379.97181,0,2,45075727,PFAS,10/19/22,HFUCGDPRBKRBFR-UHFFFAOYSA-N,HFUCGDPRBKRBFR,190.9931812,4.66391046,,,,M+2H,1,M+2H,190.9932,577971.1875,1.77,Yes,MSMS added to .msp file,0.903,Low peak area; M+H not detected; 
37,HRELC_01087,EPA_PFAS,EPA_PFAS_37,((Perfluorooctyl)ethyl)phosphonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_042,C10H6F17O3P,527.9783098,1,70,22630493,PFAS,10/19/22,CETXMCMQEXPPLV-UHFFFAOYSA-N,CETXMCMQEXPPLV,570.0121359,385.124364,,,,M+ACN+H,2,M+ACN+H; M+H,570.0121  528.9856,8275586.5,3.39,Yes,MSMS added to .msp file,0.985,
38,HRELC_01088,EPA_PFAS,EPA_PFAS_38,Perfluorotridecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_043,C13HF25O2,663.9577333,19,1825,3018355,PFAS,10/19/22,LVDGGZAZAYHXEY-UHFFFAOYSA-N,LVDGGZAZAYHXEY,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
39,HRELC_01089,EPA_PFAS,EPA_PFAS_39,(Perfluorohexyl)ethyl acrylate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_044,C11H7F13O2,418.0238456,0,4120,87149,PFAS,10/19/22,VPKQPPJQTZJZDB-UHFFFAOYSA-N,VPKQPPJQTZJZDB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
40,HRELC_01090,EPA_PFAS,EPA_PFAS_40,Octafluoroadipamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_045,C6H4F8N2O2,288.01450267,0,30,314191,PFAS,10/19/22,SVURUIRNGAQISR-UHFFFAOYSA-N,SVURUIRNGAQISR,306.048326,142.143948,,,,M+NH4,4,M+NH4; M+Na; M+H; M+K,306.0483  311.0037  289.0218  326.9777,5774089.5,2.27,Yes,MSMS added to .msp file,1,
41,HRELC_01091,EPA_PFAS,EPA_PFAS_41,Perfluorodecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_046,C10HF19O2,513.9673143,178,4668,9555,PFAS,10/19/22,PCIUEQPBYFRTEM-UHFFFAOYSA-N,PCIUEQPBYFRTEM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
42,HRELC_01092,EPA_PFAS,EPA_PFAS_42,Perfluoroglutaryl difluoride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_047,C5F8O2,243.97705454,0,161,69622,PFAS,10/19/22,XAKMJUAGVWKMOB-UHFFFAOYSA-N,XAKMJUAGVWKMOB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
43,HRELC_01093,EPA_PFAS,EPA_PFAS_43,2-(Perfluorooctyl)ethanol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_048,C10H5F17O,464.0068935,21,3492,69619,PFAS,10/19/22,JJUBFBTUBACDHW-UHFFFAOYSA-N,JJUBFBTUBACDHW,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
44,HRELC_01094,EPA_PFAS,EPA_PFAS_44,N-Ethyl-N-(2-hydroxyethyl)perfluorooctane sulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_049,C12H10F17NO3S,571.0109931,9,232,74322,PFAS,10/19/22,HUFHNYZNTFSKCT-UHFFFAOYSA-N,HUFHNYZNTFSKCT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
45,HRELC_01095,EPA_PFAS,EPA_PFAS_45,Perfluorocyclohexanecarbonyl fluoride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_050,C7F12O,327.9757526,0,127,2776044,PFAS,10/19/22,HDVGMDBHTBNCLT-UHFFFAOYSA-N,HDVGMDBHTBNCLT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
46,HRELC_01096,EPA_PFAS,EPA_PFAS_46,"Perfluoro-1,3-dimethylcyclohexane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_051,C8F16,399.9744506,6,8804,78975,PFAS,10/19/22,LOQGSOTUHASIHI-UHFFFAOYSA-N,LOQGSOTUHASIHI,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
47,HRELC_01097,EPA_PFAS,EPA_PFAS_47,Perfluorohexanesulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_052,C6HF13O3S,399.9438812,214,4812,67734,PFAS,10/19/22,QZHDEAJFRJCDMF-UHFFFAOYSA-N,QZHDEAJFRJCDMF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
48,HRELC_01098,EPA_PFAS,EPA_PFAS_48,2-(Perfluorodecyl)ethanol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_053,C12H5F21O,564.0005062,1,937,70083,PFAS,10/19/22,FLXYIZWPNQYPIT-UHFFFAOYSA-N,FLXYIZWPNQYPIT,582.03433,212.06064,,,,M+NH4,1,M+NH4,582.0343,880148.125,8.15,Yes,Not collected due to MSMS purity,0.499,Low peak area; M+H not detected; MSMS not collected due to low quality; 
49,HRELC_01099,EPA_PFAS,EPA_PFAS_49,Perfluoroheptanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_054,C7HF13O2,363.9768954,92,4369,67818,PFAS,10/19/22,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,ZWBAMYVPMDSJGQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
50,HRELC_01100,EPA_PFAS,EPA_PFAS_50,4:4 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_055,C8H9F9O,292.05096836,0,44,2769661,PFAS,10/19/22,FROXCSGRCWYTIE-UHFFFAOYSA-N,FROXCSGRCWYTIE,334.0847947,276.475932,,,,M+ACN+H,1,M+ACN+H,334.0848,42042.10938,1.99,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
51,HRELC_01101,EPA_PFAS,EPA_PFAS_51,"1H,1H,9H-Perfluorononyl acrylate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_056,C12H6F16O2,486.01123,0,650,107516,PFAS,10/19/22,QXDKTLFTMZTCKT-UHFFFAOYSA-N,QXDKTLFTMZTCKT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
52,HRELC_01102,EPA_PFAS,EPA_PFAS_52,Methyl perfluorohexanoate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_057,C7H3F11O2,327.99573912,0,54,526464,PFAS,10/19/22,NJXMLQHJFDKLKL-UHFFFAOYSA-N,NJXMLQHJFDKLKL,329.0030155,270.542172,,,,M+H,1,M+H,329.003,1874136.375,8.7,Yes,MSMS added to .msp file,1,
53,HRELC_01103,EPA_PFAS,EPA_PFAS_53,Trichloro((perfluorohexyl)ethyl)silane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_058,C8H4Cl3F13Si,479.894026,22,5736,123578,PFAS,10/19/22,PISDRBMXQBSCIP-UHFFFAOYSA-N,PISDRBMXQBSCIP,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
54,HRELC_01104,EPA_PFAS,EPA_PFAS_54,3-(Perfluoroheptyl)propanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_059,C10H5F15O2,442.0050018,2,98,2783376,PFAS,10/19/22,HLBRGVKRZQSQHB-UHFFFAOYSA-N,HLBRGVKRZQSQHB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
55,HRELC_01105,EPA_PFAS,EPA_PFAS_55,5H-Perfluoropentanal,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_060,C5H2F8O,229.99778998,0,12,542849,PFAS,10/19/22,BQFRALWVZATVGY-UHFFFAOYSA-N,BQFRALWVZATVGY,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
56,HRELC_01106,EPA_PFAS,EPA_PFAS_56,Pentafluoropropanoic anhydride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_061,C6F10O3,309.96877548,65,5022,67742,PFAS,10/19/22,XETRHNFRKCNWAJ-UHFFFAOYSA-N,XETRHNFRKCNWAJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
57,HRELC_01107,EPA_PFAS,EPA_PFAS_57,2-(Perfluorohexyl)ethanol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_062,C8H5F13O,364.0132809,7,5601,69537,PFAS,10/19/22,GRJRKPMIRMSBNK-UHFFFAOYSA-N,GRJRKPMIRMSBNK,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
58,HRELC_01108,EPA_PFAS,EPA_PFAS_58,7:3 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_063,C10H7F15O,428.0257373,0,98,2783377,PFAS,10/19/22,LWCLGUDCFDTQBF-UHFFFAOYSA-N,LWCLGUDCFDTQBF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
59,HRELC_01109,EPA_PFAS,EPA_PFAS_59,"1,1,1,5,5,5-Hexafluoro-2,4-pentanedione",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_064,C5H2F6O2,207.99589827,40,23420,73706,PFAS,10/19/22,QAMFBRUWYYMMGJ-UHFFFAOYSA-N,QAMFBRUWYYMMGJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
60,HRELC_01110,EPA_PFAS,EPA_PFAS_60,Heptafluorobutyramide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_065,C4H2F7NO,213.00246082,4,812,12626,PFAS,10/19/22,FOBJABJCODOMEO-UHFFFAOYSA-N,FOBJABJCODOMEO,214.0097371,28.4126754,,,,M+H,1,M+H,214.0097,79551.79688,7.15,No,ND,ND,Low peak area; No MSMS detected; 
61,HRELC_01111,EPA_PFAS,EPA_PFAS_61,"3,3-Bis(trifluoromethyl)-2-propenoic acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_066,C5H2F6O2,207.99589827,0,159,15669,PFAS,10/20/22,ZSBJCNVMTCMOBW-UHFFFAOYSA-N,ZSBJCNVMTCMOBW,190.9931985,4.95520026,,,,M+H-H2O,1,M+H-H2O,190.9937,514476.375,1.22,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
62,HRELC_01112,EPA_PFAS,EPA_PFAS_62,Perfluoro-2-methyl-3-oxahexanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_067,C6HF11O3,329.97500367,11,327,114481,PFAS,10/20/22,CSEBNABAWMZWIF-UHFFFAOYSA-N,CSEBNABAWMZWIF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
63,HRELC_01113,EPA_PFAS,EPA_PFAS_63,Perfluorooctanesulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_068,C8H2F17NO2S,498.9534782,127,3462,69785,PFAS,10/20/22,RRRXPPIDPYTNJG-UHFFFAOYSA-N,RRRXPPIDPYTNJG,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
64,HRELC_01114,EPA_PFAS,EPA_PFAS_64,3-(Perfluoroisopropyl)-2-propenoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_069,C6H3F7O2,240.00212647,0,60,2776807,PFAS,10/20/22,PRHNILJSRYVRAY-UHFFFAOYSA-N,PRHNILJSRYVRAY,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
65,HRELC_01115,EPA_PFAS,EPA_PFAS_65,N-Methylperfluorooctanesulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_070,C9H4F17NO2S,512.9691283,3,408,3034468,PFAS,10/20/22,SRMWNTGHXHOWBT-UHFFFAOYSA-N,SRMWNTGHXHOWBT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
66,HRELC_01116,EPA_PFAS,EPA_PFAS_66,(Perfluorobutyryl)-2-thenoylmethane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_071,C10H5F7O2S,321.98984771,0,133,68411,PFAS,10/20/22,QHOQGOZSTQAYRH-UHFFFAOYSA-N,QHOQGOZSTQAYRH,322.9971235,318.116784,,,,M+H,1,M+H,322.9971,222516.0781,-0.56,No,ND,ND,Low peak area; No MSMS detected; 
67,HRELC_01117,EPA_PFAS,EPA_PFAS_67,"1H,1H-Perfluoro-3,6,9-trioxadecan-1-ol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_072,C7H3F13O4,397.9823747,0,244,2778161,PFAS,10/20/22,PGUFRYZQAPBGDW-UHFFFAOYSA-N,PGUFRYZQAPBGDW,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
68,HRELC_01118,EPA_PFAS,EPA_PFAS_68,3:1 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_073,C4H3F7O,200.00721185,3,3282,9776,PFAS,10/20/22,WXJFKAZDSQLPBX-UHFFFAOYSA-N,WXJFKAZDSQLPBX,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
69,HRELC_01119,EPA_PFAS,EPA_PFAS_69,Perfluoropentanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_074,C5HF9O2,263.98328273,33,4128,75921,PFAS,10/20/22,CXZGQIAOTKWCDB-UHFFFAOYSA-N,CXZGQIAOTKWCDB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
70,HRELC_01120,EPA_PFAS,EPA_PFAS_70,Perfluorohexanedioic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_075,C6H2F8O4,289.98253384,0,1932,67640,PFAS,10/20/22,AXRSOGFYDSXLQX-UHFFFAOYSA-N,AXRSOGFYDSXLQX,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
71,HRELC_01121,EPA_PFAS,EPA_PFAS_71,Potassium perfluorohexanesulfonate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_076,C6HF13O3S,399.9438812,214,4812,67734,PFAS,10/20/22,QZHDEAJFRJCDMF-UHFFFAOYSA-N,QZHDEAJFRJCDMF,441.9777072,361.93929,,,,M+ACN+H,1,M+ACN+H,441.9777,164393.2813,-7.78,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
72,HRELC_01122,EPA_PFAS,EPA_PFAS_72,Perfluorononanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_077,C9HF17O2,463.970508,228,8522,67821,PFAS,10/20/22,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,UZUFPBIDKMEQEQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
73,HRELC_01123,EPA_PFAS,EPA_PFAS_73,"3H-Perfluoro-2,2,4,4-tetrahydroxypentane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_078,C5H5F7O4,262.00760577,0,16,2774953,PFAS,10/20/22,NZCXKNVJJQJKKN-UHFFFAOYSA-N,NZCXKNVJJQJKKN,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
74,HRELC_01124,EPA_PFAS,EPA_PFAS_74,Nonafluoro-1-iodobutane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_079,C4F9I,345.8901,4,2330,67917,PFAS,10/20/22,PGRFXXCKHGIFSV-UHFFFAOYSA-N,PGRFXXCKHGIFSV,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
75,HRELC_01125,EPA_PFAS,EPA_PFAS_75,"3-(Perfluoro-2-butyl)propane-1,2-diol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_080,C7H7F9O2,294.03023292,0,67,2782554,PFAS,10/20/22,FAQXMAJQQVDRQM-UHFFFAOYSA-N,FAQXMAJQQVDRQM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
76,HRELC_01126,EPA_PFAS,EPA_PFAS_76,"Perfluoro-3,6,9-trioxatridecanoic acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_081,C10HF19O5,561.9520582,0,73,2760333,PFAS,10/20/22,GDQLSTSWOFAQNO-UHFFFAOYSA-N,GDQLSTSWOFAQNO,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
77,HRELC_01127,EPA_PFAS,EPA_PFAS_77,Perfluoropropanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_082,C3HF5O2,163.98967008,39,8852,62356,PFAS,10/20/22,LRMSQVBRUNSOJL-UHFFFAOYSA-N,LRMSQVBRUNSOJL,182.0234933,438.787932,,,,M+NH4,1,M+NH4,182.0235,756975.4375,-6.74,No,ND,ND,Low peak area; M+H not detected; Peaks with two rt present; No MSMS detected; 
78,HRELC_01128,EPA_PFAS,EPA_PFAS_78,"Perfluoro-3,6-dioxaheptanoic acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_083,C5HF9O4,295.97311197,0,34,2782393,PFAS,10/20/22,PPWRLPJIHGWGFH-UHFFFAOYSA-N,PPWRLPJIHGWGFH,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
79,HRELC_01129,EPA_PFAS,EPA_PFAS_79,Potassium perfluorobutanesulfonate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_084,C4HF9O3S,299.95026852,108,39989,67815,PFAS,10/20/22,JGTNAGYHADQMCM-UHFFFAOYSA-N,JGTNAGYHADQMCM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
80,HRELC_01130,EPA_PFAS,EPA_PFAS_80,Perfluoro-1-octanesulfonyl chloride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_085,C8ClF17O2S,517.9036069,0,204,324956,PFAS,10/20/22,FJHZKRYJOILIGD-UHFFFAOYSA-N,FJHZKRYJOILIGD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
81,HRELC_01131,EPA_PFAS,EPA_PFAS_81,Ethyl perfluorobutyl ether,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_086,C6H5F9O,264.01966824,8,9275,206000,PFAS,10/20/22,DFUYAWQUODQGFF-UHFFFAOYSA-N,DFUYAWQUODQGFF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
82,HRELC_01132,EPA_PFAS,EPA_PFAS_82,Perfluoro(4-methoxybutanoic acid),HRE_HFX_211230_HRE_PFAS_Stds_C18pos_087,C5HF9O3,279.97819735,0,3,12498036,PFAS,10/20/22,CZTBTZZANBJSLY-UHFFFAOYSA-N,CZTBTZZANBJSLY,140.9963748,32.3680128,,,,M+2H,1,M+2H,140.9964,216074.5938,-4.83,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
83,HRELC_01133,EPA_PFAS,EPA_PFAS_83,"((2,2,3,3-Tetrafluoropropoxy)methyl)oxirane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_088,C6H8F4O2,188.04604214,0,407,89247,PFAS,10/20/22,DATKALAKXGFGPI-UHFFFAOYSA-N,DATKALAKXGFGPI,230.0798683,223.46514,,,,M+ACN+H,4,M+ACN+H; M+H-H2O; M+NH4; M+H,230.0799  171.0439  206.0799  189.0533,3197339,0.15,Yes,MSMS added to .msp file,0.778,Peaks with two rt present; 
84,HRELC_01134,EPA_PFAS,EPA_PFAS_84,"1H,1H,7H-Dodecafluoro-1-heptanol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_089,C7H4F12O,332.0070527,0,1874,67639,PFAS,10/20/22,BYKNGMLDSIEFFG-UHFFFAOYSA-N,BYKNGMLDSIEFFG,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
85,HRELC_01135,EPA_PFAS,EPA_PFAS_85,Pentafluoropropanoic anhydride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_090,C6F10O3,309.96877548,65,5022,67742,PFAS,10/20/22,XETRHNFRKCNWAJ-UHFFFAOYSA-N,XETRHNFRKCNWAJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
86,HRELC_01136,EPA_PFAS,EPA_PFAS_86,Perfluorooctanesulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_091,C8HF17O3S,499.9374938,1171,42479,74483,PFAS,10/20/22,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,YFSUTJLHUFNCNZ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
87,HRELC_01137,EPA_PFAS,EPA_PFAS_87,1-Pentafluoroethylethanol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_092,C4H5F5O,164.02605559,0,286,78991,PFAS,10/20/22,BUGIAHXXBFVPGW-UHFFFAOYSA-N,BUGIAHXXBFVPGW,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
88,HRELC_01138,EPA_PFAS,EPA_PFAS_88,2-(Perfluorohexyl)ethyl methacrylate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_093,C12H9F13O2,432.0394956,1,4005,75066,PFAS,10/20/22,CDXFIRXEAJABAZ-UHFFFAOYSA-N,CDXFIRXEAJABAZ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
89,HRELC_01139,EPA_PFAS,EPA_PFAS_89,"1-Iodo-1H,1H,2H,2H-perfluoroheptane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_094,C7H4F11I,423.91821,0,30,74309,PFAS,10/20/22,KEHJVWWDDAAVHB-UHFFFAOYSA-N,KEHJVWWDDAAVHB,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
90,HRELC_01140,EPA_PFAS,EPA_PFAS_90,"2,2,2-Trifluoroethyl perfluorobutanesulfonate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_095,C6H2F12O3S,381.953303,0,465,2777144,PFAS,10/20/22,KJGYBFLEIPDFNQ-UHFFFAOYSA-N,KJGYBFLEIPDFNQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
91,HRELC_01141,EPA_PFAS,EPA_PFAS_91,Methyl perfluoro(3-(1-ethenyloxypropan-2-yloxy)propanoate),HRE_HFX_211230_HRE_PFAS_Stds_C18pos_096,C9H3F13O4,421.9823747,0,235,94610,PFAS,10/20/22,OVAULROCPRKKJF-UHFFFAOYSA-N,OVAULROCPRKKJF,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
92,HRELC_01142,EPA_PFAS,EPA_PFAS_92,2-(Perfluorooctyl)ethyl acrylate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_097,C13H7F17O2,518.0174582,5,6501,119747,PFAS,10/20/22,QUKRIOLKOHUUBM-UHFFFAOYSA-N,QUKRIOLKOHUUBM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
93,HRELC_01143,EPA_PFAS,EPA_PFAS_93,N-Ethylperfluorooctanesulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_098,C10H6F17NO2S,526.9847784,29,23260,77797,PFAS,10/20/22,CCEKAJIANROZEO-UHFFFAOYSA-N,CCEKAJIANROZEO,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
94,HRELC_01144,EPA_PFAS,EPA_PFAS_94,2-Aminohexafluoropropan-2-ol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_099,C3H3F6NO,183.01188269,0,21,2782456,PFAS,10/20/22,KENSSLIXPGVLRV-UHFFFAOYSA-N,KENSSLIXPGVLRV,225.0457089,26.9244102,,,,M+ACN+H,1,M+ACN+H,225.0457,316662.6563,5.5,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
95,HRELC_01145,EPA_PFAS,EPA_PFAS_95,"2,2-Difluoroethyl triflate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_100,C3H3F5O3S,213.97230594,0,3277,2774089,PFAS,10/20/22,NKULBUOBGILEAR-UHFFFAOYSA-N,NKULBUOBGILEAR,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
96,HRELC_01146,EPA_PFAS,EPA_PFAS_96,"1H,2H-Hexafluorocyclopentene",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_101,C5H2F6,176.00606904,0,504,11309822,PFAS,10/20/22,FHQKLIHFKVAEEP-UHFFFAOYSA-N,FHQKLIHFKVAEEP,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
97,HRELC_01147,EPA_PFAS,EPA_PFAS_97,Perfluorooctane sulfonamido amine,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_102,C13H13F17N2O2S,584.0426275999999,0,2,83421,PFAS,10/20/22,MSJXTBMNRCTIDR-UHFFFAOYSA-N,MSJXTBMNRCTIDR,585.0499038,240.159174,,,,M+H,1,M+H,585.0499,7584936960,-0.32,Yes,MSMS added to .msp file,1,Peaks with two rt present; 
98,HRELC_01148,EPA_PFAS,EPA_PFAS_98,tris(Trifluoroethoxy)methane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_103,C7H7F9O3,310.02514754,0,54,3685970,PFAS,10/20/22,IESBVSNCDNHMSL-UHFFFAOYSA-N,IESBVSNCDNHMSL,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
99,HRELC_01149,EPA_PFAS,EPA_PFAS_99,4H-Perfluorobutanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_104,C4H2F6O2,195.99589827,1,179,1752534,PFAS,10/20/22,ACPUHIQZFSBBGQ-UHFFFAOYSA-N,ACPUHIQZFSBBGQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
100,HRELC_01150,EPA_PFAS,EPA_PFAS_100,Perfluorobutanesulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_105,C4HF9O3S,299.95026852,108,39989,67815,PFAS,10/20/22,JGTNAGYHADQMCM-UHFFFAOYSA-N,JGTNAGYHADQMCM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
101,HRELC_01151,EPA_PFAS,EPA_PFAS_101,"Perfluoro-3,6-dioxaoctane-1,8-dioic acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_106,C6H2F8O6,321.97236308,0,74,2760318,PFAS,10/20/22,PXMYQUXWTLQKLL-UHFFFAOYSA-N,PXMYQUXWTLQKLL,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
102,HRELC_01152,EPA_PFAS,EPA_PFAS_102,2-(Trifluoromethoxy)ethyl trifluoromethanesulfonate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_107,C4H4F6O4S,261.97344875,1,242,10635181,PFAS,10/20/22,XNNJMXBWUMKLRR-UHFFFAOYSA-N,XNNJMXBWUMKLRR,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
103,HRELC_01153,EPA_PFAS,EPA_PFAS_103,4:2 Fluorotelomer alcohol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_108,C6H5F9O,264.01966824,1,2201,74883,PFAS,10/20/22,JCMNMOBHVPONLD-UHFFFAOYSA-N,JCMNMOBHVPONLD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
104,HRELC_01154,EPA_PFAS,EPA_PFAS_104,Perfluoro(N-methylmorpholine),HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114,C5F11NO,298.98042341,0,4178,67839,PFAS,10/20/22,PQMAKJUXOOVROI-UHFFFAOYSA-N,PQMAKJUXOOVROI,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
105,HRELC_01155,EPA_PFAS,EPA_PFAS_105,Perfluoromethylcyclopentane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115,C6F12,299.9808379,0,8433,74546,PFAS,10/20/22,BCNXQFASJTYKDJ-UHFFFAOYSA-N,BCNXQFASJTYKDJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
106,HRELC_01156,EPA_PFAS,EPA_PFAS_106,"N-[(Perfluorooctylsulfonamido)propyl]-N,N,N-trimethylammonium iodide",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_110_20220120123834,C14H16F17N2O2S+,599.0661027,0,23,84097,PFAS,10/20/22,FGTDPZOJJFPWCB-UHFFFAOYSA-N,FGTDPZOJJFPWCB,600.0733789,241.161948,,,,M+H,1,M+H,600.0734,413946048,-8.92,No,ND,ND,No MSMS detected; 
107,HRELC_01157,EPA_PFAS,EPA_PFAS_107,Perfluorooctanamidine,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_111_20220120125758,C8H3F15N2,412.0056705,0,146,2778827,PFAS,10/20/22,VHJKOLAKAFYZMC-UHFFFAOYSA-N,VHJKOLAKAFYZMC,413.0129471,217.383708,,,,M+H,2,M+H; M+ACN+H,413.0129  454.0395,3585585664,-1.8,Yes,MSMS added to .msp file,1,Peaks with two rt present; 
108,HRELC_01158,EPA_PFAS,EPA_PFAS_108,(Heptafluoropropyl)trimethylsilane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_112_20220120131722,C6H9F7Si,242.03617396,0,128,4158915,PFAS,10/20/22,PKLASFRWKXWKII-UHFFFAOYSA-N,PKLASFRWKXWKII,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
109,HRELC_01159,EPA_PFAS,EPA_PFAS_109,2-(Perfluorodecyl)ethyl acrylate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_113_20220120133646,C15H7F21O2,618.0110709,0,1955,87274,PFAS,10/20/22,FIAHOPQKBBASOY-UHFFFAOYSA-N,FIAHOPQKBBASOY,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
110,HRELC_01160,EPA_PFAS,EPA_PFAS_110,Perfluorobutyraldehyde,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114_20220120135610,C4HF7O,197.99156179,17,931,67809,PFAS,10/20/22,IQJZGNJYXIIMGP-UHFFFAOYSA-N,IQJZGNJYXIIMGP,180.9888621,35.8425474,,,,M+H-H2O,1,M+H-H2O,180.9894,191220.9688,4.48,No,ND,ND,Low peak area; M+H not detected; Peaks with two rt present; No MSMS detected; 
111,HRELC_01161,EPA_PFAS,EPA_PFAS_111,2-Amino-2H-perfluoropropane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115_20220120141535,C3H3F6N,167.01696807,0,508,12224667,PFAS,10/20/22,UHEDJBIYIWUMLU-UHFFFAOYSA-N,UHEDJBIYIWUMLU,209.0507943,185.007534,,,,M+ACN+H,1,M+ACN+H,209.0508,36159.46875,-0.05,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
112,HRELC_01162,EPA_PFAS,EPA_PFAS_112,Perfluorooctane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_116,C8F18,437.9712569,172,26166,9387,PFAS,10/20/22,YVBBRRALBYAZBM-UHFFFAOYSA-N,YVBBRRALBYAZBM,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
113,HRELC_01163,EPA_PFAS,EPA_PFAS_113,6:2 Fluorotelomer sulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_111_20220120145421,C8H5F13O3S,427.9751813,0,528,119688,PFAS,10/20/22,VIONGDJUYAYOPU-UHFFFAOYSA-N,VIONGDJUYAYOPU,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
114,HRELC_01164,EPA_PFAS,EPA_PFAS_114,"1H,1H,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_112_20220120151346,C6H6F8O4,294.01383396,0,278,2778710,PFAS,10/20/22,CWIAFBQLWOMNFY-UHFFFAOYSA-N,CWIAFBQLWOMNFY,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
115,HRELC_01165,EPA_PFAS,EPA_PFAS_115,2-(Perfluorohexyl)ethylphosphonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_113_20220120153310,C8H6F13O3P,427.9846972,0,413,53756597,PFAS,10/20/22,DEXIXSRZQUFPIK-UHFFFAOYSA-N,DEXIXSRZQUFPIK,470.0185231,281.484966,,,,M+ACN+H,4,M+ACN+H; M+H; 2M+H; M+NH4,470.0185  428.992  856.9767  446.0185,1460224512,-1.48,Yes,MSMS added to .msp file,1,Peaks with two rt present; 
116,HRELC_01166,EPA_PFAS,EPA_PFAS_116,"3-(Perfluorohexyl)-1,2-epoxypropane",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114_20220120155233,C9H5F13O,376.0132809,0,784,170073,PFAS,10/20/22,KGYUZRBIQCDOCN-UHFFFAOYSA-N,KGYUZRBIQCDOCN,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
117,HRELC_01167,EPA_PFAS,EPA_PFAS_117,Hexafluoroamylene glycol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115_20220120161157,C5H6F6O2,212.0271984,2,1688,67831,PFAS,10/20/22,IELVMUPSWDZWSD-UHFFFAOYSA-N,IELVMUPSWDZWSD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
118,HRELC_01168,EPA_PFAS,EPA_PFAS_118,Perfluorooctadecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_116_20220120163123,C18HF35O2,913.9417649,13,935,167547,PFAS,10/20/22,ZTSDOGSKTICNPQ-UHFFFAOYSA-N,ZTSDOGSKTICNPQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
119,HRELC_01169,EPA_PFAS,EPA_PFAS_119,1-Bromopentadecafluoroheptane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_117,C7BrF15,447.89439,0,508,67819,PFAS,10/20/22,VPQQZKWYZYVTMU-UHFFFAOYSA-N,VPQQZKWYZYVTMU,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
120,HRELC_01170,EPA_PFAS,EPA_PFAS_120,3-Methoxyperfluoro(2-methylpentane),HRE_HFX_211230_HRE_PFAS_Stds_C18pos_112_20220120171007,C7H3F13O,349.9976308,0,1488,14689855,PFAS,10/20/22,QKAGYSDHEJITFV-UHFFFAOYSA-N,QKAGYSDHEJITFV,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
121,HRELC_01171,EPA_PFAS,EPA_PFAS_121,2-Vinylperfluorobutane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_113_20220120172931,C6H3F9,246.00910355,0,66,2775065,PFAS,10/20/22,GBZVNPLYXNEEFL-UHFFFAOYSA-N,GBZVNPLYXNEEFL,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
122,HRELC_01172,EPA_PFAS,EPA_PFAS_122,"1H,1H-Perfluoropentylamine",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114_20220120174855,C5H4F9N,249.02000259,0,152,2769669,PFAS,10/20/22,SUNUNYBGDFIAME-UHFFFAOYSA-N,SUNUNYBGDFIAME,250.0272789,81.324084,,,,M+H,2,M+H; M+ACN+H,250.0273  291.0538,259069824,-2.67,Yes,MSMS added to .msp file,1,
123,HRELC_01173,EPA_PFAS,EPA_PFAS_123,"3H,3H-Perfluoro-2,4-hexanedione",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115_20220120180819,C6H2F8O2,257.9927046,0,109,140764,PFAS,10/20/22,MGKBKOFWQWACLM-UHFFFAOYSA-N,MGKBKOFWQWACLM,276.0265279,40.0172976,,,,M+NH4,1,M+NH4,276.0265,127933.7656,0,No,ND,ND,Low peak area; M+H not detected; No MSMS detected; 
124,HRELC_01174,EPA_PFAS,EPA_PFAS_124,Perfluoroundecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_116_20220120182745,C11HF21O2,563.9641207,93,1188,77222,PFAS,10/20/22,SIDINRCMMRKXGQ-UHFFFAOYSA-N,SIDINRCMMRKXGQ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
125,HRELC_01175,EPA_PFAS,EPA_PFAS_125,Perfluorohexadecanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_117_20220120184709,C16HF31O2,813.9481522999999,8,445,106027,PFAS,10/20/22,OJMBMWRMTMHMSZ-UHFFFAOYSA-N,OJMBMWRMTMHMSZ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
126,HRELC_01176,EPA_PFAS,EPA_PFAS_126,Potassium perfluorooctanesulfonate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_118,C8HF17O3S,499.9374938,1171,42479,74483,PFAS,10/20/22,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,YFSUTJLHUFNCNZ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
127,HRELC_01177,EPA_PFAS,EPA_PFAS_127,Perfluoropropyl trifluorovinyl ether,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_113_20220120192549,C5F10O,265.97894624,0,24053,15388,PFAS,10/20/22,KHXKESCWFMPTFT-UHFFFAOYSA-N,KHXKESCWFMPTFT,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
128,HRELC_01178,EPA_PFAS,EPA_PFAS_128,Perfluorooctanamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114_20220120194515,C8H2F15NO,412.9896861,0,196,67919,PFAS,10/20/22,UGMUDSKJLAUMTC-UHFFFAOYSA-N,UGMUDSKJLAUMTC,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
129,HRELC_01179,EPA_PFAS,EPA_PFAS_129,Perfluorohexanoic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115_20220120200439,C6HF11O2,313.98008905,95,3170,67542,PFAS,10/20/22,PXUULQAPEKKVAH-UHFFFAOYSA-N,PXUULQAPEKKVAH,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
130,HRELC_01180,EPA_PFAS,EPA_PFAS_130,8:2 Fluorotelomer sulfonic acid,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_116_20220120202405,C10H5F17O3S,527.9687939,0,70,3016044,PFAS,10/20/22,ALVYVCQIFHTIRD-UHFFFAOYSA-N,ALVYVCQIFHTIRD,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
131,HRELC_01181,EPA_PFAS,EPA_PFAS_131,Triethoxy((perfluorohexyl)ethyl)silane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_117_20220120204329,C14H19F13O3Si,510.0895871,11,4645,103991,PFAS,10/20/22,AVYKQOAMZCAHRG-UHFFFAOYSA-N,AVYKQOAMZCAHRG,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
132,HRELC_01182,EPA_PFAS,EPA_PFAS_132,Ammonium perfluorooctanoate,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_118_20220120210251,C8HF15O2,413.9737017,1260,11536,9554,PFAS,10/20/22,SNGREZUHAYWORS-UHFFFAOYSA-N,SNGREZUHAYWORS,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
133,HRELC_01183,EPA_PFAS,EPA_PFAS_133,Nonafluoropentanamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_119,C5H2F9NO,262.99926715,0,38,4191132,PFAS,10/20/22,ZKWQYYCKXAKLPJ-UHFFFAOYSA-N,ZKWQYYCKXAKLPJ,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
134,HRELC_01184,EPA_PFAS,EPA_PFAS_134,Perfluorooctanesulfonyl fluoride,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_114_20220120214135,C8F18O2S,501.9331573,36,2183,9388,PFAS,10/20/22,BHFJBHMTEDLICO-UHFFFAOYSA-N,BHFJBHMTEDLICO,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
135,HRELC_01185,EPA_PFAS,EPA_PFAS_135,2-(Perfluorooctyl)ethanthiol,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_115_20220120220057,C10H5F17S,479.9840501,8,1209,542755,PFAS,10/20/22,URJIJZCEKHSLHA-UHFFFAOYSA-N,URJIJZCEKHSLHA,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
136,HRELC_01186,EPA_PFAS,EPA_PFAS_136,1-Iodopentadecafluoroheptane,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_116_20220120222021,C7F15I,495.88052,0,514,67633,PFAS,10/20/22,AHUMDLIBMIYQMU-UHFFFAOYSA-N,AHUMDLIBMIYQMU,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
137,HRELC_01187,EPA_PFAS,EPA_PFAS_137,Perfluorohexanesulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_117_20220120223943,C6H2F13NO2S,398.9598656,0,123,11603678,PFAS,10/20/22,WDZLGCSJJWEQJO-UHFFFAOYSA-N,WDZLGCSJJWEQJO,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
138,HRELC_01188,EPA_PFAS,EPA_PFAS_138,"1H,1H-Perfluorooctyl acrylate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_118_20220120225905,C11H5F15O2,454.0050018,0,2398,67551,PFAS,10/20/22,YSQGYEYXKXGAQA-UHFFFAOYSA-N,YSQGYEYXKXGAQA,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
139,HRELC_01189,EPA_PFAS,EPA_PFAS_139,"1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_119_20220120231829,C12H10F8O4,370.04513409,0,759,2775863,PFAS,10/20/22,BWTMTZBMAGYMOD-UHFFFAOYSA-N,BWTMTZBMAGYMOD,371.0524104,295.973646,,,,M+H,1,M+H,371.0524,75303.84375,-0.92,No,ND,ND,Low peak area; No MSMS detected; 
140,HRELC_01190,EPA_PFAS,EPA_PFAS_140,"Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) acid",HRE_HFX_211230_HRE_PFAS_Stds_C18pos_120,C12HF23O5,661.9456709,1,86,182328,PFAS,10/20/22,HPNULWLLEOKCID-UHFFFAOYSA-N,HPNULWLLEOKCID,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected
141,HRELC_01191,EPA_PFAS,EPA_PFAS_141,N-Methyl-N-(2-hydroxyethyl)perfluorooctanesulfonamide,HRE_HFX_211230_HRE_PFAS_Stds_C18pos_121,C11H8F17NO3S,556.995343,1,219,90507,PFAS,10/20/22,PLGACQRCZCVKGK-UHFFFAOYSA-N,PLGACQRCZCVKGK,ND,ND,,,,ND,1,ND,NA,ND,ND,ND,ND,ND,Peak not detected