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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Ketolithocholic acid12-Ketolithocholic acidME618626--5.09389.2695211
1OH-n:2 FTSAs n=8-ME618659--0.78542.9611702
6-Ketolithocholic acid_389.2694068_4.33-ME618624--4.33389.2694068
6-Ketolithocholic acid_389.2695135_3.93-ME618625--3.93389.2695135
6-Ketolithocholic acid_389.2695314_3.97-ME618627--3.97389.2695314
7-Ketolithocholic acid7-Ketolithocholic acidME618623--4.43389.2694004
7-oxo-DCA7-Ketodeoxycholic acidME618632--3.73405.2640064
BPA sulfate ?-ME618614--0.93307.0675651
Br-PFOS-ME618652--4.71498.9297876
CACholic acidME618634--4.76407.2800861
DCADeoxycholic acidME618630--5.5391.2853781
dPAs n=0-ME618610--0.74146.9832819
dPFAmCACEs n=4-ME618664--0.78606.9393656
dPFAm n=10-ME618653--0.77512.9705434
dPFAm n=7-ME618618--0.77362.9816138
dPFAm n=8-ME618635--1.13412.9770407
dPFLSA n=5-ME618644--4.35460.9329321
GCAGlycocholic acidME618646--4.39464.3011599
GCDCAGlycochenodeoxycholic acidME618642--4.95448.3065741
GHDCAGlycohyodeoxycholic acidME618641--3.96448.3063876
GLCAGlycolithocholic acidME618638--5.54432.3134773
Glycochenodeoxycholic acid-3-O-sulfate_528.2626581...-ME618657--3.58528.2626581
Glycochenodeoxycholic acid-3-O-sulfate_528.2626977...-ME618658--3.54528.2626977
GUDCAGlycoursodeoxycholic acidME618640--4448.3063787
HCAHyocholic acidME618633--3.8407.2797273
HDCAHyodeoxycholic acidME618629--4.62391.2850734
HPFLSA n=6-ME618622--0.78380.9510021
K/d-O/CO-PFLSA n=8-ME618648--0.78476.9360186
LCALithocholic acidME618620--6.04375.2901371
L-PFOS-ME618651--4.88498.9296695
mHPFLCA n=2-ME618611--0.78223.0202257
mHPFLCA n=4-ME618616--2.63351.0379813
mHPFSO4_ii n=13-ME618662--0.78567.0058148
mOPFLCA n=2-ME618612--1.12244.9656189
n:1 FTSAs n=7-ME618645--0.77462.9535101
n:2 FTOHs n=2-ME618613--0.78263.0127437
n:2 FTSAs n=10-ME618666--0.77626.9599959
n:2 FTSAs n=6-ME618637--0.78426.9601171
n:2 FTSO2PAs n=4-ME618663--0.78582.9838358
n:2 FTSPrAs n=2-ME618615--0.85351.0134869
OPFLCA_i n=4-ME618621--0.78378.9554858
PFAABs n=7_pos-ME618661--0.79556.0753508
PFAmCACEs n=10-ME618660--0.78544.9566181
PFAmCEs_i, n=6-ME618667--4.39856.9474537
PFDAPerfluorodecanoic acidME618654--5.02512.975965
PFDA adductPerfluorodecanoic acidME618647--5.27468.9699781
PFHpS-ME618643--4.43448.9331354
PFHxS-ME618631--3.9398.9363242
PFNA adductPerfluorononanoic acidME618636--4.86418.9731581
PFOA adductPerfluorooctanoic acidME618619--4.39368.9763099
qaPFSMb n=3-ME618617--0.77362.0805939
qaPFSMe n=4-ME618639--0.77444.0831764
qaPFSMf n=7-ME618665--0.78622.1043557
TaMCATauro-alpha-muricholic acidME618655--3.42514.2813216
TCATaurocholic acidME618656--4.35514.2835939
TCDCATaurochenodeoxycholic acidME618649--4.93498.2887908
TDCATaurodeoxycholic acidME618650--5.04498.288832
UDCAUrsodeoxycholic acidME618628--4.37391.2850365


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