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Analysis: LC-MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
20a,22b-Dihydroxycholesterol(20R,22R)-20,22-DihydroxycholesterolME266238-C055019.370833333401.3428231
22b-Hydroxycholesterol22R-HydroxycholesterolME266240-C055029.6734425.3419445
3-O-Sulfogalactosylceramide (d18:1/20:0)-ME266225-C0612510.7145818.5772976
7-Dehydrocholesterol7-DehydrocholesterolME266237-C011649.231266667367.3381032
Allopregnanolone3alpha-Hydroxy-5alpha-pregnan-20-oneME266233-C137128.66301.25
DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)DG 16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0*ME266226-C0016510.76193333637.4823018
Docosapentaenoic acidDocosapentaenoic acidME266234-C165138.929033333353.2483666
Glucosylceramide (d18:1/22:0)-ME266224-C0119010.65038333784.6641882
LPA(0:0/18:1(9Z))LPA 0:0/18:1(9Z)ME266230-C004168.41345454.2912657
LPA(16:0/0:0)LPA 16:0/0:0ME266229-C004167.29411.25
LysoPC(O-18:0)LPC O-18:0ME266236-C043179.068183333532.3767821
LysoPC(P-16:0)LPC P-16:0ME266227-C0423011.05093333462.3362788
PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))PC 18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)*ME266222-C0015710.08676667804.5510829
PC(20:3(8Z,11Z,14Z)/P-16:0)PC P-16:0/20:3 or PC O-16:1/20:3ME266228-C0015711.14328333768.5867408
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))-ME266235-C001578.96854.55
PE(15:0/22:2(13Z,16Z))PE 15:0/22:2(13Z,16Z)*ME266232-C003508.632433333780.5485442
PE(24:0/15:0)PE 24:0/15:0*ME266223-C0035010.3092828.5496353
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME266239-C027379.40065818.538653
Vitamin ARetinolME266231-C004738.47425287.2389371


Analysis: LC-MS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11,14,17-Eicosatrienoic acidDihomo-gamma-linolenic acidME266243-C16522305.25080698.367783333
3a,21-Dihydroxy-5b-pregnane-11,20-dione5beta-Pregnane-3alpha,21-diol-11,20-dioneME266244-C05478347.22493098.467783333
9,10-Epoxyoctadecenoic acid9(10)-EpOMEME266241-C14825295.22985097.683433333
Adrenic acidAdrenic acidME266248-C16527331.26653688.539216667
Alpha-Linolenic acidalpha-Linolenic acidME266247-C06427277.21910288.51065
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME266253-C04555367.16117688.845683333
DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)DG 18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0*ME266257-C00165677.48848799.430033333
Docosahexaenoic acidDocosahexaenoic acidME266251-C06429327.2346868.67425
Eicosapentaenoic acidEicosapentaenoic acidME266246-C06428301.21916198.482083333
Lactosylceramide (d18:1/16:0)-ME266245-C01290896.57869048.467783333
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))LPC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME266242-C04230602.30127338.14705
PA(P-16:0e/18:2(9Z,12Z))-ME266252-C15647655.46946918.67425
PC(22:4(7Z,10Z,13Z,16Z)/16:0)PC 22:4(7Z,10Z,13Z,16Z)/16:0*ME266250-C00157808.58089848.65995
PE(15:0/20:4(5Z,8Z,11Z,14Z))PE 15:0/20:4(5Z,8Z,11Z,14Z)*ME266256-C00350760.46611979.166433333
Pregnanediol-3-glucuronidePregnanediol-3-glucuronideME266255-C03033531.272159.166433333
PregnenolonePregnenoloneME266249-C01953315.23506528.631383333
TG(16:0/16:0/18:1(9Z))[iso3]TG 16:0/16:0/18:1(9Z)*ME266254-C00422867.72329899.03785


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