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Analysis: GC

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxyglutaric acid2-Hydroxyglutaric acidME27943943C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME27942551C00026507392198
2-ketoisocaproic acidKetoleucineME27943870C0023331076189
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME27943791C11457583925192
hydrocinnamic acidHydrocinnamic acidME279386107C05629434422104
allantoic acidAllantoic acidME279427203C00499723539259
hexoseHexoseME279389206C00738642640319
beta-alaninebeta-AlanineME279419239C00099435564248
benzoic acidBenzoic acidME279420243C00180339067179
catecholPyrocatecholME279416289C00090376695254
citric acidCitric acidME279415311C00158617342273
caprylic acidCaprylic acidME279417379C06423343457201
pimelic acidPimelic acidME279346385C02656523205155
hexitolSorbitolME279390453C00392704741217
hippuric acidHippuric acidME279387464C01586636836206
malic acidMalic acidME279366525C00711463180233
creatinineCreatinineME279412588C00791502599115
cystineCystineME279410595C01420804619218
isohexonic acid-ME279377604-698302333
lactic acidLactic acidME279373612C01432217657191
ethanolamineEthanolamineME279406700C00189344719174
glycineGlycineME279394750C00037368707248
glycerolGlycerolME279397753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME279395754C03189590747357
glycolic acidGlycolic acidME279393757C00160227636177
hydroxylamineHydroxylamineME279384787C00192255241146
indole-3-acetateIndoleacetic acidME279383802C00954684929202
ribitolRibitolME279340827C00474575497217
myo-inositolMyo-inositolME279361892C00137730022305
oxalic acidOxalic acidME279356971C00209260513190
palmitic acidPalmitic acidME279354985C00249713809313
phenolPhenolME279350996C00146218927151
phenylethylaminePhenylethylamineME2793481001C05332510327174
phosphatePhosphoric acidME2793471004C00009345365314
pyruvic acidPyruvic acidME2793421060C00022211003174
succinic acidSuccinic acidME2793341110C00042370608247
sulfuric acidTG 16:0_18:1_18:1ME2793321118C00059282411227
taurineTaurineME2793311123C00245556690326
thymineThymineME2793271135C00178420133255
uracilUracilME2793231174C00106385735241
uric acidUric acidME2793211175C00366731038441
ureaUreaME2793221176C00086329351189
5-methoxytryptamine5-MethoxytryptamineME2794311833C05659864466174
capric acidCapric acidME2794182969C01571452386229
indole-3-propionic acid3-Indolepropionic acidME2793813744-732249202
lauric acidLauric acidME2793723893C02679547906117
stearic acidStearic acidME2793355281C01530787622117
riboseRiboseME2793385779C00121553135217
thymidineThymidineME2793285789C00214349402170
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2793265810C01157484934140
cysteineCysteineME2794115862C00097500158220
alanineAlanineME2794285950C00041243971116
serineSerineME2793365951C00065395020218
aspartic acidAspartic acidME2794215960C00049480387232
glutamineGlutamineME2793995961C00064600000156
lysineLysineME2793695962C00047663483156
sucroseSucroseME2793335988C00089915139271
inosineInosineME2793796021C00294897434230
uridineUridineME2793206029C00299861508217
tyrosineTyrosineME2793246057C00082671252218
leucineLeucineME2793716106C00123346101158
methionineMethionineME2793636137C00073483560176
phenylalaninePhenylalanineME2793496140C00079537804218
ornithineOrnithineME2793576262C00077527113142
asparagineAsparagineME2794226267C00152553078188
valineValineME2793196287C00183313502144
threonineThreonineME2793296288C00188409568218
tryptophanTryptophanME2793256305C00078780482202
isoleucineIsoleucineME2793766306C00407359251158
pantothenic acidPantothenic acidME2793526613C12276690887291
2-aminobutyric acid2-Aminobutyric acidME2794426657C02721285825130
xylitolXylitolME2793186912C00379567437217
oxoprolineOxoprolineME2793557405C01879485935156
pelargonic acidPelargonic acidME2793518158C01601399229117
dodecanolDodecanolME2794088193C02277507619243
octadecanolStearyl alcoholME2793598221-755409327
citrullineCitrullineME2794149750C00327621404157
indoxyl sulfateIndoxyl sulfateME27938010258-577333277
4-hydroxybutyric acid4-Hydroxybutyric acidME27943210413C00989325027233
heptadecanoic acidMargaric acidME27939210465-751309117
arachidic acidArachidic acidME27942310467C06425856421117
myristic acidMyristic acidME27936011005C06424634414285
hexadecaneHexadecaneME27939111006-52596485
pseudo uridinePseudouridineME27934315047C02067813899217
mannoseMannoseME27936418950C00159645856205
glutamic acidGlutamic acidME27940033032C00025527086246
saccharic acidGlucaric acidME27933733037C00818699211333
adenosineAdenosineME27942960961C00212918039236
glucoseGlucoseME27940264689C00221675179217
3-aminoisobutyric acid3-Aminoisobutanoic acidME27943564956C05145452655248
glucose-1-phosphateGlucose 1-phosphateME27940165533C00103594647217
3-hydroxypropionic acidHydroxypropionic acidME27943368152C01013269265177
3-hydroxybutyric acid3-Hydroxybutyric acidME27943492135C01089278829191
alpha-aminoadipic acidalpha-Aminoadipic acidME27942692136C00956573295260
indole-3-lactateIndolelactic acidME27938292904C02043764586202
lactamideLactamideME27937494220-265698232
aminomalonateAminomalonic acidME279424100714C00872455754218
xyloseXyloseME279317135191C00181543267103
prolineProlineME279344145742C00148364523142
2-deoxytetronic acid3,4-Dihydroxybutyric acidME279441150929-433456189
isothreonic acidD-Threonic acidME279375151152C00639489385292
6-deoxyglucitol6-DeoxyglucitolME279430151266-599776117
hexuronic acidHexuronic acidME279388152867-667373160
methionine sulfoxideMethionine sulfoxideME279362158980C02989637588128
pinitolPinitolME279345164619C03844622466260
erythritolErythritolME279407222285C00503471922217
maltoseMaltoseME279365439186C00208946601204
glyceric acidGlyceric acidME279398439194C00258377495189
xylulose NISTXyluloseME279316439205C00312553450173
lyxoseLyxoseME279367439240C00476541086217
raffinoseRaffinoseME279341439242C004921120886361
lyxitolL-ArabitolME279368439255C00532573587217
fucoseFucoseME279404439650C02095578299160
fructoseFructoseME279405439709C02336639442307
2-hydroxybutanoic acid2-Hydroxybutyric acidME279440440864C05984258161131
fumaric acidFumaric acidME279403444972C00122390016245
palmitoleic acidPalmitoleic acidME279353445638C08362706508311
oleic acidOleic acidME279358445639C00712779120339
D-erythro-sphingosineSphingosineME2794095280335C00319859500204
linoleic acidLinoleic acidME2793705280450C01595777414150
isocitric acidIsocitric acidME2793785318532C00451617338245
threonic acidThreonic acidME2793305460407C01620497572292
ribonic acidRibonic acidME2793395460677C01685599680292
conduritol-beta-epoxideConduritol epoxideME2794139989541-675635318
glycerol-3-galactosideGalactosylglycerolME27939616048618C05401805227204
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME27943616069996C06474588886231
hydroxycarbamate NISTHydroxycarbamic acidME27938516639161-325318278
1,3,5-trimethylcyanuric acid-ME279443--416269171


Analysis: Reversed phase POSITIVE ION MODE/Orbitrap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1_CE(22:1) iSTD [M+Chol-head–H2O+H]+-ME279444--11.551076.0144
1_CE(22:1) iSTD [M+Na]+-ME279445--11.54729.652
1_CE(22:1) iSTD [M+NH4]+-ME279446--11.55724.6966
1_Cer(d18:1/17:0) iSTD [M+H]+-ME279447--5.84552.535
1_Cer(d18:1/17:0) iSTD [M+H–H2O]+-ME279448--5.84534.5245
1_Cer(d18:1/17:0) iSTD [M+Na]+-ME279449--5.84574.517
1_Cholesterol d7 iSTD [M–H2O+H]+-ME279450--4.72376.3955
1_CUDA iSTD [M+H]+-ME279451--0.72341.2799
1_DG(12:0/12:0/0:0) iSTD [M+K]+-ME279452--4.21495.3446
1_DG(12:0/12:0/0:0) iSTD [M+Na]+-ME279453--4.2479.3707
1_DG(12:0/12:0/0:0) iSTD [M+NH4]+-ME279454--4.2474.4153
1_DG(18:1/2:0/0:0) iSTD [M+K]+-ME279455--3.14437.2664
1_DG(18:1/2:0/0:0) iSTD [M+Na]+-ME279456--3.15421.2924
1_DG(18:1/2:0/0:0) iSTD [M+NH4]+-ME279457--3.15416.3371
1_LPC(17:0) iSTD [M+H]+-ME279458--1.69510.3554
1_LPE(17:1) iSTD [M+H]+-ME279459--1.22466.2928
1_MG(17:0/0:0/0:0) iSTD [M+H]+-ME279461--2.99345.2999
1_MG(17:0/0:0/0:0) iSTD [M+Na]+-ME279462--2.99367.2819
1_MG (17:0/0:0/0:0) iSTD [M+NH4]+-ME279460--2.99362.3265
1_PC(12:0/13:0) iSTD [M+H]+-ME279463--3.46636.4599
1_PE(17:0/17:0) iSTD [M+H]+-ME279464--6.16720.5538
1_SM(d18:1/17:0) iSTD [M+H]+-ME279465--4.98717.5905
1_Sphingosine(d17:1) iSTD [M+H]+-ME279466--1.07286.2741
1_TAG d5(17:0/17:1/17:0) iSTD [M+K]+-ME279467--10.85890.7622
1_TAG d5(17:0/17:1/17:0) iSTD [M+Na]+-ME279468--10.85874.7882
1_TAG d5(17:0/17:1/17:0) iSTD [M+NH4]+-ME279469--10.85869.8329
9-HODE cholesteryl ester-ME279470--8.07687.5692
AC(10:0) [M+H]+CAR 10:0ME279472--0.69316.2482
AC(14:1) [M+H]+CAR 14:1ME279473--0.75370.2952
AC(18:1) [M+H]+CAR 18:1ME279474--1.6426.3578
AC(18:2) [M+H]+CAR 18:2ME279475--1.21424.3421
AC 20:4; [M]+CAR 20:4ME279471--1.19448.342
AC(8:1) [M+H]+CAR 8:1ME279476--0.44286.2013
Acetyl-DL-carnitineCAR 2:0ME279477--0.38204.123
CE(16:1) [M+NH4]+CE 16:1ME279483--10.17640.6027
CE(18:1) [M+NH4]+CE 18:1ME279484--10.68668.634
CE(18:2) [M+NH4]+CE 18:2ME279485--10.24666.6184
CE(18:3) [M+NH4]+CE 18:3ME279486--9.82664.6027
CE(20:2) [M+NH4]+CE 20:2ME279487--10.57694.6497
CE(20:3) [M+NH4]+CE 20:3ME279488--10.31692.634
CE(20:4) [M+NH4]+CE 20:4ME279489--9.98690.6184
CE(20:5) [M+NH4]+CE 20:5ME279490--9.55688.6027
CE 22:1; [M+NH4]+CE 22:1ME279478--11.58724.6971
CE 22:2; [M+NH4]+CE 22:2ME279479--11.16722.6818
CE 22:4; [M+NH4]+CE 22:4ME279480--10.37718.6497
CE 22:5; [M+NH4]+CE 22:5ME279481--10.13716.6338
CE(22:6) [M+NH4]+CE 22:6ME279491--9.72714.6184
CE 24:1; [M+NH4]+CE 24:1ME279482--11.89752.728
Cer(d40:1) [M+H]+Cer 40:1;O2ME279492--7.47622.6133
Cer(d42:1) [M+H]+Cer 42:1;O2ME279493--8.1650.6446
Cer-NS d35:1; Cer-NS d18:1/17:0; [M+H]+Cer 18:1;O2/17:0ME279494--5.83552.5352
Cer-NS d37:4; Cer-NS d22:3/15:1; [M+H]+Cer 22:3;O2/15:1*ME279495--5.83574.5169
Cer-NS d42:2; Cer-NS d18:1/24:1; [M+H]+Cer 18:1;O2/24:1ME279496--7.44648.6293
CholesterolCholesterolME279497--4.73369.3516
DAG 24:0; DAG 12:0-12:0; [M+NH4]+DG 12:0_12:0ME279498--4.2474.4154
DAG 34:1; DAG 16:0-18:1; [M+NH4]+DG 16:0_18:1ME279499--6.77612.5562
DAG 34:2; DAG 16:1-18:1; [M+NH4]+DG 16:1_18:1ME279500--6.24610.5411
DAG 36:2; DAG 18:0-18:2; [M+NH4]+DG 18:0_18:2ME279501--6.83638.5718
DAG 36:3; DAG 18:1-18:2; [M+NH4]+DG 18:1_18:2ME279502--6.31636.5562
DAG 36:4; DAG 18:2-18:2; [M+NH4]+DG 18:2_18:2ME279503--5.8634.5405
DAG 36:5; DAG 18:2-18:3; [M+NH4]+DG 18:2_18:3ME279504--5.34632.5249
DAG 38:6; DAG 18:2-20:4; [M+NH4]+DG 18:2_20:4ME279505--5.63658.5411
Heptadecasphing-4-enineC17 SphingosineME279506--0.95268.2634
LPC(14:0) [M+H]+LPC 14:0ME279518--0.89468.3085
LPC(15:0) [M+H]+LPC 15:0ME279519--1.1482.3241
LPC 16:0LPC 16:0ME279507--1.37518.3218
LPC(16:1) [M+H]+LPC 16:1ME279520--0.99494.3241
LPC 17:0LPC 17:0ME279508--1.71532.3378
LPC(17:1) [M+H]+LPC 17:1ME279521--1.22508.3401
LPC 18:0LPC 18:0ME279509--2.1546.353
LPC(18:1) [M+H]+LPC 18:1ME279522--1.5522.3554
LPC(18:2) [M+H]+LPC 18:2ME279523--1.14520.3398
LPC(18:3) [M+H]+LPC 18:3ME279524--0.94518.3241
LPC 19:0; [M+H]+LPC 19:0ME279510--2.55538.3873
LPC(20:0) [M+H]+LPC 20:0ME279525--2.94552.4021
LPC 20:1; [M+H]+LPC 20:1ME279511--2.24550.387
LPC(20:2) [M+H]+LPC 20:2ME279526--1.66548.3708
LPC 20:3; [M+H]+LPC 20:3ME279512--1.33546.3552
LPC(20:4) [M+H]+LPC 20:4ME279527--1.1544.3398
LPC 22:0LPC 22:0ME279513--3.47580.4339
LPC 22:1; [M+H]+LPC 22:1ME279514--3.03578.4184
LPC 22:4; [M+H]+LPC 22:4ME279515--1.54572.3717
LPC 22:5; [M+H]+LPC 22:5ME279516--1.35570.3559
LPC(22:6) [M+H]+LPC 22:6ME279528--1.06568.3404
LPC 24:0LPC 24:0ME279517--3.97608.465
LPC(p-16:0)LPC P-16:0ME279529--1.57480.3448
LPC(p-18:0)LPC P-18:0ME279530--1.78508.3762
LPE 16:0LPE 16:0ME279531--1.38454.2924
LPE 18:0LPE 18:0ME279532--2.13482.3244
LPE 18:1LPE 18:1ME279533--1.54480.3092
LPE(18:2) [M+H]+LPE 18:2ME279534--1.15478.2928
LPE(20:4) [M+H]+LPE 20:4ME279535--1.13502.2934
Lyso-PAF C-16LPC O-16:0ME279536--1.62482.3606
Lyso-PC (o-18)LPC O-18:0ME279537--2.42510.3924
N-Docosanoyl-4-sphingenyl-1-O-phosphorylcholineSM 18:1;O2/22:0ME279539--6.54809.6507
N-Nervonoyl-D-erythro-sphingosylphosphorylcholineSM 18:1;O2/24:1ME279540--6.53835.6672
N-(Octadecanoyl)sphing-4-enine-1-phosphocholineSM 18:1;O2/18:0ME279538--5.25753.588
PC 16:0-14:0PC 14:0_16:0ME279543--4.72706.5384
PC(16:0/16:0)PC 16:0/16:0ME279566--5.35756.5514
PC 16:0/18:1PC 16:0/18:1ME279542--5.71768.5888
PC(16:0/18:2)PC 16:0/18:2ME279567--4.98780.5519
PC 16:0-22:6PC 16:0_22:6ME279544--4.69806.5697
PC(16:0/9:0(COOH))-ME279568--1.87666.4351
PC (16:0/o-20:5)PC 32:1ME279541--5.06766.5741
PC 18:0-22:6PC 18:0_22:6ME279545--5.26834.6009
PC 32:1; PC 16:0-16:1; [M+H]+PC 16:0_16:1ME279546--4.78732.5534
PC(32:2) [M+H]+PC 32:2ME279569--4.35730.5381
PC(33:1) [M+H]+PC 33:1ME279570--5.09746.5694
PC(33:2) [M+H]+PC 33:2ME279571--4.66744.5538
PC(34:0) [M+H]+PC 34:0ME279572--5.93762.6007
PC(34:1) [M+H]+PC 34:1ME279573--5.36760.5851
PC(34:2) [M+H]+PC 34:2ME279574--4.9758.57
PC(34:3) A [M+H]+PC 34:3ME279575--4.44756.5538
PC(34:4) [M+H]+PC 34:4ME279576--4.27754.5381
PC(35:1) [M+H]+PC 35:1ME279577--5.68774.6007
PC(35:2) A [M+H]+PC 35:2ME279578--5.23772.5851
PC(35:3) [M+H]+PC 35:3ME279579--4.75770.5694
PC 35:3; PC 17:1-18:2; [M+H]+PC 17:1_18:2ME279547--4.95770.562
PC(35:4) [M+H]+PC 35:4ME279580--4.55768.5538
PC 36:0; PC 18:0-18:0; [M+H]+PC 18:0/18:0ME279548--6.59790.632
PC(36:1) [M+H]+PC 36:1ME279581--6788.6164
PC 36:2e; PC 18:1e/18:1; [M+H]+PC O-18:1/18:1ME279549--5.88772.622
PC(36:2) [M+H]+PC 36:2ME279582--5.52786.6007
PC(36:3) A [M+H]+PC 36:3ME279583--4.98784.5851
PC 36:3e; PC 16:0e/20:3; [M+H]+PC O-16:0/20:3ME279550--5.31770.6056
PC(36:4) A [M+H]+PC 36:4ME279584--4.82782.5694
PC 36:4e; PC 16:0e/20:4; [M+Na]+PC O-16:0/20:4ME279552--5.19790.573
PC 36:4; PC 18:2-18:2; [M+H]+PC 18:2/18:2ME279551--4.55782.5693
PC 36:5; PC 16:0-20:5; [M+H]+PC 16:0_20:5ME279553--4.46780.5537
PC(36:6) [M+H]+PC 36:6ME279585--4.45778.5381
PC 36:6; PC 18:3-18:3; [M+H]+PC 18:3/18:3ME279554--4.15778.5384
PC(37:2) [M+H]+PC 37:2ME279586--5.84800.6164
PC(37:3) [M+H]+PC 37:3ME279587--5.37798.6004
PC(37:4) [M+H]+PC 37:4ME279588--5.12796.5851
PC(38:2) [M+H]+PC 38:2ME279589--6.14814.632
PC(38:3) [M+H]+PC 38:3ME279590--5.69812.6164
PC 38:4; PC 18:0-20:4; [M+H]+PC 18:0_20:4ME279555--5.41810.6025
PC(38:5) A [M+H]+PC 38:5ME279591--4.88808.5851
PC 38:5e; PC 18:1e/20:4; [M+H]+PC O-18:1/20:4ME279556--5.69794.6044
PC 38:6e; PC 16:0e/22:6; [M+H]+PC O-16:0/22:6ME279558--5.13792.5908
PC 38:6; PC 16:0-22:6; [M+H]+PC 16:0_22:6ME279557--5.08806.5677
PC(38:7) [M+H]+PC 38:7ME279592--4.56804.5538
PC 39:5; PC 19:0-20:5; [M+H]+PC 19:0_20:5ME279559--5.84822.5987
PC(39:6) [M+H]+PC 39:6ME279593--4.96820.5851
PC 39:6; PC 17:0-22:6; [M+H]+PC 17:0_22:6ME279560--5.5820.581
PC 39:7; PC 17:1-22:6; [M+H]+PC 17:1_22:6ME279561--5.12818.5682
PC(40:4) [M+H]+PC 40:4ME279594--5.88838.632
PC(40:5) A [M+H]+PC 40:5ME279595--5.47836.6164
PC(40:7) A [M+H]+PC 40:7ME279596--4.73832.5851
PC 40:7e; PC 18:1e/22:6; [M+H]+PC O-18:1/22:6ME279562--5.5818.6056
PC 40:8e; PC 18:2e/22:6; [M+H]+PC O-18:2/22:6ME279564--5.68816.588
PC 40:8; PC 20:4-20:4; [M+H]+PC 20:4/20:4ME279563--4.35830.5697
PC 42:10; PC 20:4-22:6; [M+H]+PC 20:4_22:6ME279565--4.24854.5694
PC(42:6) [M+H]+PC 42:6ME279597--5.88862.6311208
PC(o-32:0) [M+H]+PC O-32:0ME279598--5.68720.5902
PC(o-34:2) [M+H]+PC O-34:2ME279599--5.25744.5902
PC(o-34:3) [M+H]+PC O-34:3ME279600--5.16742.5745
PC(o-36:3) [M+H]+PC O-36:3ME279601--5.8770.6058
PC(o-38:4) A [M+H]+PC O-38:4ME279602--5.78796.6215
PC(o-38:5) A [M+H]+PC O-38:5ME279603--5.23794.6058
PC(o-40:4) [M+H]+PC O-40:4ME279604--6.43824.6528
PC(o-40:5) [M+H]+PC O-40:5ME279605--5.83822.6371
PC(o-40:6) [M+H]+PC O-40:6ME279606--5.61820.6215
PC(o-40:7) A [M+H]+PC O-40:7ME279607--5.06818.6058
PC(o-42:5) [M+H]+PC O-42:5ME279608--6.44850.6684
PC(o-44:5) [M+H]+PC O-44:5ME279609--7.05878.6997
PC(p-32:0) or PC (o-32:1) [M+H]+PC P-32:0 or PC O-32:1ME279610--5.57718.5745
PC(p-38:2) or PC (o-38:3) [M+H]+PC P-38:2 or PC O-38:3ME279611--6.06798.6359
PC(p-40:7) or PC (o-40:8) [M+H]+PC P-40:7 or PC O-40:8ME279612--5.23816.5902
PC(p-42:3) or PC (o-42:4) [M+H]+PC P-42:3 or PC O-42:4ME279613--7.09852.6859
PE 16:0-20:4PE 16:0_20:4ME279614--4.97740.5227
PE 18:0-22:6PE 18:0_22:6ME279615--5.42792.5541
PE 18:1-18:1; [M+Na]+PE 18:1/18:1ME279616--5.69766.5363
PE 34:0; PE 17:0-17:0; [M+H]+PE 17:0/17:0ME279617--6.11720.5536
PE(34:2)[M+H]+PE 34:2ME279624--5.06716.5225
PE(36:2)[M+H]+PE 36:2ME279625--5.68744.5538
PE 36:3; PE 18:1-18:2; [M+H]+PE 18:1_18:2ME279618--5.13742.5386
PE 36:4; PE 18:2-18:2; [M+H]+PE 18:2/18:2ME279619--4.71740.5226
PE 36:5e; PE 16:0e/20:5; [M+H]+PE O-16:0/20:5ME279620--5.25724.5274
PE(38:4)[M+H]+PE 38:4ME279626--5.58768.5538
PE 38:6; PE 16:0-22:6; [M+H]+PE 16:0_22:6ME279621--4.8764.5234
PE 38:7e; PE 16:1e/22:6; [M+H]+PE O-16:1/22:6ME279622--5.08748.5282
PE 40:7e; PE 18:1e/22:6; [M+H]+PE O-18:1/22:6ME279623--5.7776.5595
PE(o-36:3) [M+H]+PE O-36:3ME279627--6.02728.5589
PE(o-38:5) [M+H]+PE O-38:5ME279628--5.9752.5589
SM(d32:1) [M+H]+SM 32:1;O2ME279632--4.07675.5436
SM(d32:2) [M+H]+SM 32:2;O2ME279633--3.65673.5279
SM(d33:1) [M+H]+SM 33:1;O2ME279634--4.34689.5592
SM(d34:0) [M+H]+SM 34:0;O2ME279635--4.84705.5905
SM(d34:1) [M+H]+SM 34:1;O2ME279636--4.62703.5749
SM(d34:2) [M+H]+SM 34:2;O2ME279637--4.15701.5592
SM(d36:1) [M+H]+SM 36:1;O2ME279638--5.24731.6062
SM(d36:2) [M+H]+SM 36:2;O2ME279639--4.72729.5905
SM(d38:1) [M+H]+SM 38:1;O2ME279640--5.9759.6375
SM(d38:2) [M+H]+SM 38:2;O2ME279641--5.35757.6218
SM(d39:1) [M+H]+SM 39:1;O2ME279642--6.24773.6531
SM(d40:1) [M+H]+SM 40:1;O2ME279643--6.53787.6688
SM(d40:2) A [M+H]+SM 40:2;O2ME279644--5.99785.6531
SM d40:3; SM d15:3/25:0; [M+H]+SM 15:3;O2/25:0*ME279629--5.37783.6334
SM(d41:1) [M+H]+SM 41:1;O2ME279645--6.87801.6844
SM(d41:2) A [M+H]+SM 41:2;O2ME279646--6.32799.6688
SM(d42:1) [M+H]+SM 42:1;O2ME279647--7.18815.7001
SM(d42:2) [M+H]+SM 42:2;O2ME279648--6.51813.6844
SM d42:3; SM d14:1/28:2; [M+H]+SM 14:1;O2/28:2*ME279630--5.97811.6675
SM d42:4; SM d14:2/28:2; [M+H]+SM 14:2;O2/28:2*ME279631--5.51809.653
TAG 40:0; TAG 12:0-14:0-14:0; [M+NH4]+TG 12:0_14:0_14:0ME279649--8.73712.645
TAG 42:0; TAG 12:0-14:0-16:0; [M+NH4]+TG 12:0_14:0_16:0ME279650--9.19740.6764
TAG 42:1; TAG 12:0-12:0-18:1; [M+Na]+TG 12:0_12:0_18:1ME279651--8.78743.6161
TAG 44:0; TAG 12:0-14:0-18:0; [M+NH4]+TG 12:0_14:0_18:0ME279652--9.76768.7076
TAG 44:1; TAG 12:0-16:0-16:1; [M+NH4]+TG 12:0_16:0_16:1ME279653--9.33766.6922
TAG 44:2; TAG 14:0-14:1-16:1; [M+NH4]+TG 14:0_14:1_16:1ME279654--8.87764.6763
TAG 46:0; TAG 14:0-16:0-16:0; [M+NH4]+TG 14:0_16:0_16:0ME279655--10.22796.7389
TAG 46:1; TAG 14:0-16:0-16:1; [M+NH4]+TG 14:0_16:0_16:1ME279656--9.79794.7234
TAG 46:2; TAG 12:0-16:0-18:2; [M+NH4]+TG 12:0_16:0_18:2ME279657--9.39792.7077
TAG 46:3; TAG 12:0-16:1-18:2; [M+Na]+TG 12:0_16:1_18:2ME279658--8.9795.6476
TAG 47:0; TAG 15:0-16:0-16:0; [M+NH4]+TG 15:0_16:0_16:0ME279659--10.4810.7547
TAG 47:1; TAG 15:0-16:0-16:1; [M+NH4]+TG 15:0_16:0_16:1ME279660--9.99808.7379
TAG 47:2; TAG 14:0-16:1-17:1; [M+NH4]+TG 14:0_16:1_17:1ME279661--9.61806.7236
TAG 48:0; TAG 14:0-16:0-18:0; [M+NH4]+TG 14:0_16:0_18:0ME279662--10.65824.7702
TAG 48:1; TAG 14:0-16:0-18:1; [M+Na]+TG 14:0_16:0_18:1ME279663--10.24822.7545
TAG 48:2; TAG 14:0-16:0-18:2; [M+NH4]+TG 14:0_16:0_18:2ME279664--9.86820.7394
TAG 48:3; TAG 12:0-18:1-18:2; [M+NH4]+TG 12:0_18:1_18:2ME279665--9.41818.7232
TAG 48:3; TAG 14:0-16:0-18:3; [M+Na]+TG 14:0_16:0_18:3ME279666--9.41823.6786
TAG 48:4; TAG 12:0-18:1-18:3; [M+Na]+TG 12:0_18:1_18:3ME279667--8.99821.6627
TAG 48:4; TAG 12:0-18:2-18:2; [M+NH4]+TG 12:0_18:2_18:2ME279668--8.98816.7076
TAG 49:0; TAG 15:0-16:0-18:0; [M+NH4]+TG 15:0_16:0_18:0ME279669--10.86838.7858
TAG 49:1; TAG 15:0-16:0-18:1; [M+NH4]+TG 15:0_16:0_18:1ME279670--10.48836.7704
TAG 49:2; TAG 15:0-16:0-18:2; [M+NH4]+TG 15:0_16:0_18:2ME279671--10.08834.7545
TAG 49:3; TAG 15:0-16:1-18:2; [M+NH4]+TG 15:0_16:1_18:2ME279672--9.66832.7391
TAG 49:4; TAG 15:2-16:0-18:2; [M+Na]+TG 15:2_16:0_18:2*ME279673--9.25835.6789
TAG 50:0; TAG 16:0-16:0-18:0; [M+NH4]+TG 16:0_16:0_18:0ME279674--10.9852.8024
TAG 50:1; TAG 16:0-16:0-18:1; [M+NH4]+TG 16:0_16:0_18:1ME279675--10.64850.7858
TAG 50:2; TAG 16:0-16:0-18:2; [M+NH4]+TG 16:0_16:0_18:2ME279676--10.28848.7707
TAG 50:3; TAG 16:0-16:0-18:3; [M+Na]+TG 16:0_16:0_18:3ME279677--9.87851.7106
TAG 50:3; TAG 16:0-16:1-18:2; [M+NH4]+TG 16:0_16:1_18:2ME279678--9.87846.7557
TAG 50:4; TAG 14:0-16:0-20:4; [M+Na]+TG 14:0_16:0_20:4ME279679--9.44849.6958
TAG 50:4; TAG 14:0-18:2-18:2; [M+NH4]+TG 14:0_18:2_18:2ME279680--9.46844.7394
TAG 50:5; TAG 14:0-16:0-20:5; [M+Na]+TG 14:0_16:0_20:5ME279681--9.08847.6797
TAG 50:5; TAG 14:0-18:2-18:3; [M+NH4]+TG 14:0_18:2_18:3ME279682--9.11842.7232
TAG 51:0; TAG 16:0-17:0-18:0; [M+NH4]+TG 16:0_17:0_18:0ME279683--11.22866.8166
TAG 51:1; TAG 16:0-17:0-18:1; [M+NH4]+TG 16:0_17:0_18:1ME279684--10.87864.8025
TAG 51:2; TAG 16:0-17:0-18:2; [M+NH4]+TG 16:0_17:0_18:2ME279685--10.48862.7872
TAG 51:3; TAG 15:0-18:1-18:2; [M+NH4]+TG 15:0_18:1_18:2ME279686--10.11860.7702
TAG 51:4; TAG 15:0-16:0-20:4; [M+Na]+TG 15:0_16:0_20:4ME279687--9.7863.7099
TAG 51:4; TAG 16:0-17:2-18:2; [M+NH4]+TG 16:0_17:2_18:2ME279688--9.7858.7537
TAG 51:5; TAG 15:0-18:2-18:3; [M+Na]+TG 15:0_18:2_18:3ME279689--9.35861.6943
TAG 52:0; TAG 16:0-18:0-18:0; [M+NH4]+TG 16:0_18:0_18:0ME279690--11.28880.8328
TAG 52:1; TAG 16:0-18:0-18:1; [M+NH4]+TG 16:0_18:0_18:1ME279691--11.06878.8173
TAG 52:2; TAG 16:0-18:0-18:2; [M+NH4]+TG 16:0_18:0_18:2ME279692--10.68876.8022
TAG 52:3; TAG 16:0-18:0-18:3; [M+Na]+TG 16:0_18:0_18:3ME279693--10.31879.7413
TAG 52:3; TAG 16:1-18:1-18:1; [M+NH4]+TG 16:1_18:1_18:1ME279694--10.3874.7856
TAG 52:4; TAG 16:0-18:1-18:3; [M+Na]+TG 16:0_18:1_18:3ME279695--9.96877.7249
TAG 52:4; TAG 16:0-18:2-18:2; [M+NH4]+TG 16:0_18:2_18:2ME279696--9.94872.7702
TAG 52:5; TAG 16:0-16:1-20:4; [M+Na]+TG 16:0_16:1_20:4ME279697--9.51875.7109
TAG 52:5; TAG 16:0-18:2-18:3; [M+NH4]+TG 16:0_18:2_18:3ME279698--9.6870.7546
TAG 52:6; TAG 16:0-16:1-20:5; [M+Na]+TG 16:0_16:1_20:5ME279699--9.14873.6947
TAG 52:6; TAG 16:1-18:2-18:3; [M+NH4]+TG 16:1_18:2_18:3ME279700--9.14868.7389
TAG 52:7; TAG 16:1-18:2-18:4; [M+Na]+TG 16:1_18:2_18:4ME279701--8.82871.6792
TAG 53:1; TAG 17:0-18:0-18:1; [M+NH4]+TG 17:0_18:0_18:1ME279702--11.25892.8328
TAG 53:2; TAG 17:0-18:1-18:1; [M+NH4]+TG 17:0_18:1_18:1ME279703--10.88890.8171
TAG 53:3; TAG 17:0-17:0-19:3; [M+Na]+TG 17:0_17:0_19:3*ME279704--10.51893.7582
TAG 53:3; TAG 17:0-18:1-18:2; [M+NH4]+TG 17:0_18:1_18:2ME279705--10.55888.8018
TAG 53:4; TAG 16:0-17:0-20:4; [M+Na]+TG 16:0_17:0_20:4ME279706--10.16891.741
TAG 53:4; TAG 17:1-18:1-18:2; [M+NH4]+TG 17:1_18:1_18:2ME279707--10.18886.7854
TAG 53:5; TAG 17:1-18:2-18:2; [M+NH4]+TG 17:1_18:2_18:2ME279708--9.74884.7702
TAG 54:0; TAG 16:0-18:0-20:0; [M+NH4]+TG 16:0_18:0_20:0ME279709--11.75908.8641
TAG 54:1; TAG 18:0-18:0-18:1; [M+NH4]+TG 18:0_18:0_18:1ME279710--11.42906.8484
TAG 54:2; TAG 18:0-18:1-18:1; [M+NH4]+TG 18:0_18:1_18:1ME279711--11.07904.8328
TAG 54:3; TAG 16:0-18:0-20:3; [M+Na]+TG 16:0_18:0_20:3ME279712--10.73907.7725
TAG 54:3; TAG 18:0-18:1-18:2; [M+NH4]+TG 18:0_18:1_18:2ME279713--10.73902.8171
TAG 54:4; TAG 16:0-18:0-20:4; [M+Na]+TG 16:0_18:0_20:4ME279714--10.38905.7588
TAG 54:4; TAG 16:1-18:0-20:3; [M+NH4]+TG 16:1_18:0_20:3ME279715--10.33900.8028
TAG 54:5; TAG 16:0-18:1-20:4; [M+Na]+TG 16:0_18:1_20:4ME279716--9.97903.7421
TAG 54:5; TAG 18:0-18:2-18:3; [M+NH4]+TG 18:0_18:2_18:3ME279717--9.95898.7868
TAG 54:6; TAG 18:1-18:2-18:3; [M+NH4]+TG 18:1_18:2_18:3ME279718--9.58896.7702
TAG 54:7; TAG 18:2-18:2-18:3; [M+NH4]+TG 18:2_18:2_18:3ME279719--9.2894.7545
TAG 54:8; TAG 16:0-18:3-20:5; [M+Na]+TG 16:0_18:3_20:5ME279720--9.01897.6956
TAG 54:8; TAG 18:2-18:3-18:3; [M+Na]+TG 18:2_18:3_18:3ME279721--8.82897.6954
TAG 55:2; TAG 17:0-18:1-20:1; [M+NH4]+TG 17:0_18:1_20:1ME279722--11.22918.8484
TAG 55:3; TAG 15:0-19:0-21:3; [M+Na]+TG 15:0_19:0_21:3*ME279723--10.93921.7893
TAG 55:3; TAG 18:1-18:2-19:0; [M+NH4]+TG 18:1_18:2_19:0ME279724--10.93916.8328
TAG 55:4; TAG 15:1-19:0-21:3; [M+Na]+TG 15:1_19:0_21:3*ME279725--10.58919.7728
TAG 55:4; TAG 18:1-18:2-19:1; [M+NH4]+TG 18:1_18:2_19:1ME279726--10.58914.8166
TAG 56:0; TAG 16:0-18:0-22:0; [M+NH4]+TG 16:0_18:0_22:0ME279727--11.95936.8954
TAG 56:10; TAG 18:2-18:3-20:5; [M+Na]+TG 18:2_18:3_20:5ME279729--8.77921.6944
TAG 56:1; TAG 16:0-18:1-22:0; [M+NH4]+TG 16:0_18:1_22:0ME279728--11.77934.8797
TAG 56:2; TAG 16:0-18:1-22:1; [M+NH4]+TG 16:0_18:1_22:1ME279730--11.39932.8641
TAG 56:3; TAG 14:0-20:0-22:3; [M+Na]+TG 14:0_20:0_22:3*ME279731--11.05935.8037
TAG 56:3; TAG 18:1-18:1-20:1; [M+NH4]+TG 18:1_18:1_20:1ME279732--11.05930.8482
TAG 56:4; TAG 18:0-18:0-20:4; [M+Na]+TG 18:0_18:0_20:4ME279733--10.76933.7894
TAG 56:4; TAG 18:1-18:2-20:1; [M+NH4]+TG 18:1_18:2_20:1ME279734--10.71928.8327
TAG 56:5; TAG 18:0-18:1-20:4; [M+NH4]+TG 18:0_18:1_20:4ME279735--10.63926.8171
TAG 56:5; TAG 18:1-18:2-20:2; [M+NH4]+TG 18:1_18:2_20:2ME279736--10.38926.8171
TAG 56:6; TAG 16:0-18:1-22:5; [M+NH4]+TG 16:0_18:1_22:5ME279737--10.17924.8015
TAG 56:6; TAG 18:0-18:2-20:4; [M+Na]+TG 18:0_18:2_20:4ME279738--10.19929.7565
TAG 56:7; TAG 16:0-18:1-22:6; [M+NH4]+TG 16:0_18:1_22:6ME279739--10.01922.7858
TAG 56:7; TAG 16:0-18:2-22:5; [M+Na]+TG 16:0_18:2_22:5ME279740--9.87927.7407
TAG 56:8; TAG 16:0-18:2-22:6; [M+NH4]+TG 16:0_18:2_22:6ME279741--9.62920.7702
TAG 56:8; TAG 16:1-18:1-22:6; [M+Na]+TG 16:1_18:1_22:6ME279742--9.63925.7272
TAG 56:8; TAG 18:2-18:3-20:3; [M+Na]+TG 18:2_18:3_20:3ME279743--9.46925.7256
TAG 56:9; TAG 16:0-20:4-20:5; [M+NH4]+TG 16:0_20:4_20:5ME279744--9.17918.7546
TAG 56:9; TAG 16:1-18:2-22:6; [M+Na]+TG 16:1_18:2_22:6ME279745--9.07923.7108
TAG 58:0; TAG 18:0-18:0-22:0; [M+NH4]+TG 18:0_18:0_22:0ME279746--12.07964.9269
TAG 58:10; TAG 16:1-20:4-22:5; [M+Na]+TG 16:1_20:4_22:5ME279748--9.25949.7253
TAG 58:10; TAG 18:2-18:2-22:6; [M+NH4]+TG 18:2_18:2_22:6ME279749--9.25944.7702
TAG 58:11; TAG 18:2-18:3-22:6; [M+Na]+TG 18:2_18:3_22:6ME279750--8.94947.7098
TAG 58:1; TAG 18:0-18:1-22:0; [M+NH4]+TG 18:0_18:1_22:0ME279747--11.96962.9113
TAG 58:2; TAG 18:0-18:2-22:0; [M+NH4]+TG 18:0_18:2_22:0ME279751--11.78960.8954
TAG 58:3; TAG 18:1-18:2-22:0; [M+NH4]+TG 18:1_18:2_22:0ME279752--11.47958.8797
TAG 58:4; TAG 18:1-18:2-22:1; [M+NH4]+TG 18:1_18:2_22:1ME279753--11.1956.8645
TAG 58:4; TAG 18:2-18:2-22:0; [M+Na]+TG 18:2_18:2_22:0ME279754--11.17961.8201
TAG 58:5; TAG 18:1-18:2-22:2; [M+NH4]+TG 18:1_18:2_22:2ME279755--10.76954.8484
TAG 58:6; TAG 18:1-18:2-22:3; [M+Na]+TG 18:1_18:2_22:3ME279756--10.59957.7879
TAG 58:6; TAG 18:1-20:1-20:4; [M+NH4]+TG 18:1_20:1_20:4ME279757--10.58952.8328
TAG 58:7; TAG 18:1-18:1-22:5; [M+NH4]+TG 18:1_18:1_22:5ME279758--10.27950.8169
TAG 58:8; TAG 18:0-18:2-22:6; [M+Na]+TG 18:0_18:2_22:6ME279759--10.07953.7571
TAG 58:8; TAG 18:1-18:1-22:6; [M+NH4]+TG 18:1_18:1_22:6ME279760--10.03948.8015
TAG 58:9; TAG 18:1-18:2-22:6; [M+NH4]+TG 18:1_18:2_22:6ME279761--9.65946.7858
TAG 58:9; TAG 18:2-18:2-22:5; [M+Na]+TG 18:2_18:2_22:5ME279762--9.65951.7407
TAG 60:11; TAG 18:1-20:4-22:6; [M+NH4]+TG 18:1_20:4_22:6ME279764--9.5970.7872
TAG 60:11; TAG 18:2-20:4-22:5; [M+Na]+TG 18:2_20:4_22:5ME279765--9.53975.7405
TAG 60:12; TAG 16:0-22:6-22:6; [M+Na]+TG 16:0_22:6_22:6ME279766--9.33973.7255
TAG 60:12; TAG 18:2-20:4-22:6; [M+Na]+TG 18:2_20:4_22:6ME279767--9.13973.7262
TAG 60:13; TAG 18:2-20:5-22:6; [M+Na]+TG 18:2_20:5_22:6ME279768--8.76971.7102
TAG 60:1; TAG 18:1-20:0-22:0; [M+NH4]+TG 18:1_20:0_22:0ME279763--12.09990.9423
TAG 60:2; TAG 18:1-20:1-22:0; [M+NH4]+TG 18:1_20:1_22:0ME279769--11.96988.9267
TAG 60:3; TAG 18:2-20:1-22:0; [M+NH4]+TG 18:2_20:1_22:0ME279770--11.8986.911
TAG 62:2; TAG 18:2-22:0-22:0; [M+NH4]+TG 18:2_22:0_22:0ME279771--12.081016.9584
ZymosterolZymosterolME279772--12.28367.3357


Analysis: Reversed phase NEGATIVE ION MODE/Orbitrap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12(13)-EpOME12(13)-EpOMEME279796--0.72037624295.2279
16:0-20:4 PCPC 16:0_20:4ME279917--4.8678018826.5604
1_Ceramide (d18:1/17:0) iSTD [M+HAc-H]--ME279778--5.8825794610.5416
1_CUDA iSTD [M-H]--ME279774--0.53229769339.265307
1_FA iSTD (16:0)-d3 [M-H]--ME279773--2.2647174258.251524
1_LPC (17:0) iSTD [M+HAc-H]--ME279777--1.7078128568.362
1_LPE (17:1) iSTD [M-H]--ME279776--1.2263463464.278224
1_MAG (17:0/0:0/0:0) iSTD [M+HAc-H]--ME279775--2.9641815403.3066
1_PC (12:0/13:0) iSTD [M+HAc-H]--ME279779--3.4661982694.4665
1_PE (17:0/17:0) iSTD [M-H]--ME279780--6.211824718.539224
1_PG (17:0/17:0) iSTD [M-H]--ME279781--4.9443499749.533824
1_SM (d18:1/17:0) iSTD [M+HAc-H]--ME279782--5.2861407775.5971
5(S)-HETE5S-HETEME279803--0.84532802319.2279
Cer(d18:1(4E)/22:0)Cer 18:1;O2(4E)/22:0*ME279848--7.5155342666.6042
Cer(d18:1(4E)/23:0)Cer 18:1;O2(4E)/23:0*ME279850--7.840404680.6199
Cer(d18:2(4E,14Z)/24:0)Cer 18:2;O2(4E,14Z)/24:0*ME279857--7.6318012706.6355
Cer-NDS d41:0; Cer-NDS d18:0/23:0; [M+Hac-H]-Cer 18:0;O2/23:0ME279854--8.0486699696.6526
Cer-NP t40:0; Cer-NP t18:0/22:0; [M+Hac-H]-Cer 18:0;O3/22:0ME279855--7.1563672698.6316
Cer-NP t42:0; Cer-NP t18:0/24:0; [M+Hac-H]-Cer 18:0;O3/24:0ME279864--7.7892461726.6632
Cer-NS d34:1; Cer-NS d18:1/16:0; [M+FA-H]-Cer 18:1;O2/16:0ME279830--5.5138775582.5107
Cer-NS d35:1; Cer-NS d18:1/17:0; [M+FA-H]-Cer 18:1;O2/17:0ME279833--5.8309823596.5262
Cer-NS d36:1; Cer-NS d18:1/18:0; [M+Hac-H]-Cer 18:1;O2/18:0ME279843--6.1727523624.5588
Cer-NS d40:2; Cer-NS d18:2/22:0; [M+Hac-H]-Cer 18:2;O2/22:0ME279849--6.9670681678.6048
Cer-NS d41:2; Cer-NS d18:2/23:0; [M+Hac-H]-Cer 18:2;O2/23:0ME279851--7.2727183692.6207
Cer-NS d42:1; Cer-NS d18:1/24:0; [M+FA-H]-Cer 18:1;O2/24:0ME279853--8.1313377694.6364
Cer-NS d42:2; Cer-NS d18:1/24:1; [M+Hac-H]-Cer 18:1;O2/24:1ME279858--7.4878019706.6358
Cer-NS d42:3; Cer-NS d18:2/24:1; [M+Hac-H]-Cer 18:2;O2/24:1ME279856--6.9228557704.6207
Cer-NS d43:1; Cer-NS d19:1/24:0; [M+Hac-H]-Cer 19:1;O2/24:0ME279862--8.3277536722.6684
FA (10:0)Capric acidME279784--0.65685186171.139056
FA (11:0)Undecylic acidME279785--0.75930002185.154711
FA (12:0)Lauric acidME279786--0.96604029199.170352
FA (13:0)Tridecylic acidME279787--1.1841841213.186007
FA (14:1)Tetradecenoic acidME279788--1.1049472225.186007
FA (15:0)Pentadecylic acidME279790--1.8560937241.217303
FA (15:1)Pentadecenoic acidME279789--1.380803239.201624
FA (16:1)Hexadecenoic acidME279791--1.6576737253.217303
FA (17:0)Margaric acidME279792--2.9709452269.248614
FA (18:1)Octadecenoic acidME279795--2.4922816281.248614
FA (18:2)Octadecadienoic acidME279794--1.8727537279.232958
FA (18:3)Octadecatrienoic acidME279793--1.4488762277.217303
FA (20:0)Arachidic acidME279802--3.6926711311.29555
FA (20:1)Eicosenoic acidME279801--3.239735309.279894
FA (20:2)Eicosadienoic acidME279800--2.7328732307.264239
FA (20:3)Eicosatrienoic acidME279799--2.1650833305.248614
FA (20:4)Arachidonic acidME279798--1.7635968303.232958
FA (20:5)Eicosapentaenoic acidME279797--1.3675196301.217303
FA (22:0)Behenic acidME279807--4.3289943339.326861
FA (22:1)Docosenoic acidME279806--3.7602143337.311205
FA (22:2)Docosadienoic acidME279805--3.3420671335.29555
FA (22:6)DHAME279804--1.559127327.232958
FA (24:0)Lignoceric acidME279809--5.0119246367.358141
FA (24:1)Tetracosenoic acidME279808--4.3504041365.342516
FA (8:0)Caprylic acidME279783--0.53108092143.10776
FAHFA 24:0; FAHFA 16:0/8:0; [M-H]--ME279810--3.1905412397.3322
GlcCer(d18:1(4E)/24:0)GlcCer 18:1;O2/24:0ME279949--7.4882297856.6884
HexCer-AP t34:0; HexCer-AP t18:0/16:0; [M-H]-HexCer 18:0;O3/16:0ME279867--4.4908275732.5639
HexCer-NS d34:1; HexCer-NS d18:1/16:0; [M+FA-H]-HexCer 18:1;O2/16:0ME279874--4.8822684744.5638
HexCer-NS d34:1; HexCer-NS d18:1/16:0; [M+Hac-H]-HexCer 18:1;O2/16:0ME279881--4.9037113758.5789
HexCer-NS d36:1; HexCer-NS d18:1/18:0; [M+Hac-H]-HexCer 18:1;O2/18:0ME279895--5.5475744786.6105
HexCer-NS d40:2; HexCer-NS d18:1/22:1; [M+Hac-H]-HexCer 18:1;O2/22:1ME279931--6.2230065840.6583
HexCer-NS d42:2; HexCer-NS d18:1/24:1; [M+Hac-H]-HexCer 18:1;O2/24:1ME279967--6.8313492868.6895
HexCer-NS d42:3; HexCer-NS d18:1/24:2; [M+Hac-H]-HexCer 18:1;O2/24:2ME279964--6.2775883866.6733
LPC (14:0)LPC 14:0ME279819--0.89786784526.3151
LPC 15:0LPC 15:0ME279820--1.1020123540.3311
LPC (16:0)LPC 16:0ME279822--1.3818806554.3464
LPC (16:1)LPC 16:1ME279821--0.99245817552.3307
LPC 17:0LPC 17:0ME279825--1.7078128568.3627
LPC (18:0)LPC 18:0ME279829--2.0983872582.3777
LPC 18:0LPC 18:0ME279815--1.3584559480.31
LPC (18:1)LPC 18:1ME279828--1.5155827580.362
LPC 18:1LPC 18:1ME279824--1.5258946566.3466
LPC (18:2)LPC 18:2ME279827--1.1497435578.3464
LPC 18:2LPC 18:2ME279823--1.1302166564.3309
LPC 18:3LPC 18:3ME279826--0.93048589576.3313
LPC 19:0LPC 19:0ME279832--2.5361456596.394
LPC 20:0LPC 20:0ME279840--2.9659956610.4097
LPC 20:1LPC 20:1ME279839--2.2522072608.3944
LPC (20:2)LPC 20:2ME279838--1.6746622606.3777
LPC (20:3)LPC 20:3ME279837--1.3297443604.362
LPC 20:4LPC 20:4ME279836--1.1096004602.347
LPC 20:5LPC 20:5ME279835--0.87335764600.331
LPC 22:0LPC 22:0ME279846--3.4789449638.4408
LPC 22:1LPC 22:1ME279845--3.0453111636.4249
LPC (22:5)LPC 22:5ME279844--1.1999652628.362
LPC 22:6LPC 22:6ME279841--1.0615795612.331
LPC 24:0LPC 24:0ME279847--3.9955502666.4726
LPE (16:0)LPE 16:0ME279812--1.3974305452.278224
LPE 18:1LPE 18:1ME279814--1.5414537478.2939
LPE (18:2)LPE 18:2ME279813--1.1335461476.278224
LPE (20:4)LPE 20:4ME279816--1.1255899500.278224
LPE 22:5LPE 22:5ME279818--1.3636669526.2939
LPE (22:6)LPE 22:6ME279817--1.0679171524.278224
LPE P-16:0LPE P-16:0ME279811--1.5838022436.28
LPI 18:0LPI 18:0ME279834--1.3792512599.3209
LPI 18:2LPI 18:2ME279831--0.73135662595.2901
LPI 20:4LPI 20:4ME279842--0.72964419619.2897
PC(16:0/12-HETE)PI 36:4ME279948--3.7860086856.5719
PC(16:0/13-HODE)PC 35:1ME279925--3.6727302832.5718
PC 25:0; PC 12:0-13:0; [M+Hac-H]-PC 12:0_13:0ME279852--3.4661982694.467
PC 30:0; PC 14:0-16:0; [M+FA-H]-PC 14:0_16:0ME279879--4.7363903750.5304
PC 32:0e; PC 16:0e/16:0; [M+Hac-H]-PC O-16:0/16:0ME279894--5.7225557778.5969
PC (32:1)PC 32:1ME279900--4.8390754790.5604
PC 32:1e; PC 16:1e/16:0; [M+Hac-H]-PC O-16:1/16:0ME279891--5.6329586776.5828
PC 32:2; PC 14:0-18:2; [M+Hac-H]-PC 14:0_18:2ME279898--4.3701547788.5456
PC (33:2)PC 33:2ME279904--4.9479638802.5604
PC 33:2; PC 15:0-18:2; [M+Hac-H]-PC 15:0_18:2ME279903--4.6785084802.5604
PC (34:1)PC 34:1ME279908--5.4142169804.5761
PC 34:1e; PC 16:0e/18:1; [M+Hac-H]-PC O-16:0/18:1ME279909--5.7869179804.6135
PC 34:2e; PC 16:0e/18:2; [M+Hac-H]-PC O-16:0/18:2ME279906--5.3024148802.598
PC 34:2e; PC 16:1e/18:1; [M+Hac-H]-PC O-16:1/18:1ME279905--5.6785361802.5968
PC (34:3)PC 34:3ME279913--4.6422687814.5604
PC 34:3e; PC 16:1e/18:2; [M+Hac-H]-PC O-16:1/18:2ME279902--5.2198113800.5821
PC 34:3; PC 16:1-18:2; [M+Hac-H]-PC 16:1_18:2ME279914--4.4702859814.5615
PC 34:4; PC 14:0-20:4; [M+Hac-H]-PC 14:0_20:4ME279912--4.3068534812.5474
PC 35:1; PC 17:0-18:1; [M+Hac-H]-PC 17:0_18:1ME279926--5.7261909832.6085
PC 36:0; PC 16:0-20:0; [M+Hac-H]-PC 16:0_20:0ME279941--6.1477095848.6387
PC (36:1)PC 36:1ME279939--6.0919847846.623
PC (36:2)PC 36:2ME279936--5.5921287844.6074
PC 36:2e; PC 18:0e/18:2; [M+Hac-H]-PC O-18:0/18:2ME279922--5.954442830.6272
PC 36:2; PC 18:0-18:2; [M+Hac-H]-PC 18:0_18:2ME279937--5.5622798844.6079
PC (36:3)PC 36:3ME279933--5.1274722842.5917
PC 36:3e; PC 18:1e/18:2; [M+Hac-H]-PC O-18:1/18:2ME279920--5.8522906828.6136
PC 36:3; PC 16:0-20:3; [M+FA-H]-PC 16:0_20:3ME279919--5.112173828.5772
PC 36:3; PC 18:1-18:2; [M+Hac-H]-PC 18:1_18:2ME279934--5.0304623842.5931
PC 36:4e; PC 16:0e/20:4; [M+Hac-H]-PC O-16:0/20:4ME279918--5.26688826.5968
PC 36:4; PC 16:0-20:4; [M+Hac-H]-PC 16:0_20:4ME279930--4.8578654840.5762
PC 36:5e; PC 16:1e/20:4; [M+Hac-H]-PC O-16:1/20:4ME279916--5.1058725824.583
PC 36:5; PC 16:0-20:5; [M+Hac-H]-PC 16:0_20:5ME279929--4.4966091838.5609
PC 37:1; PC 19:0-18:1; [M+Hac-H]-PC 18:1_19:0ME279955--6.3690924860.6399
PC 37:2; PC 19:0-18:2; [M+Hac-H]-PC 18:2_19:0ME279952--5.8924989858.6234
PC 37:4; PC 17:0-20:4; [M+Hac-H]-PC 17:0_20:4ME279945--5.1760998854.5921
PC 38:1; PC 20:0-18:1; [M+Hac-H]-PC 18:1_20:0ME279975--6.6963533874.6551
PC 38:2; PC 20:0-18:2; [M+Hac-H]-PC 18:2_20:0ME279974--6.2187409872.6405
PC (38:3)PC 38:3ME279969--5.8221519870.623
PC 38:3; PC 18:0-20:3; [M+Hac-H]-PC 18:0_20:3ME279970--5.7463982870.624
PC (38:4)PC 38:4ME279965--5.5001289868.6074
PC 38:4e; PC 18:0e/20:4; [M+Hac-H]-PC O-18:0/20:4ME279947--5.8491032854.6282
PC 38:4; PC 16:0-22:4; [M+Hac-H]-PC 16:0_22:4ME279966--5.4598833868.6085
PC 38:4; PC 18:0-20:4; [M+FA-H]-PC 18:0_20:4ME279946--5.4788374854.5923
PC 38:5e; PC 18:1e/20:4; [M+Hac-H]-PC O-18:1/20:4ME279944--5.2598136852.6132
PC 38:5; PC 16:0-22:5; [M+Hac-H]-PC 16:0_22:5ME279962--5.0931543866.5931
PC 38:5; PC 18:1-20:4; [M+Hac-H]-PC 18:1_20:4ME279963--4.9136872866.5937
PC 38:6e; PC 18:2e/20:4; [M+Hac-H]-PC O-18:2/20:4ME279943--5.1899197850.5969
PC 38:6; PC 16:0-22:6; [M+FA-H]-PC 16:0_22:6ME279942--4.7259511850.5614
PC 38:6; PC 16:0-22:6; [M+Hac-H]-PC 16:0_22:6ME279959--4.707251864.5774
PC 38:6; PC 18:2-20:4; [M+Hac-H]-PC 18:2_20:4ME279960--4.5075456864.5775
PC 38:7; PC 16:1-22:6; [M+Hac-H]-PC 16:1_22:6ME279957--4.2424894862.5615
PC 39:4; PC 19:0-20:4; [M+Hac-H]-PC 19:0_20:4ME279979--5.8112154882.6239
PC (40:4)PC 40:4ME279987--6.1213979896.6387
PC 40:4; PC 18:0-22:4; [M+Hac-H]-PC 18:0_22:4ME279988--5.9068846896.6395
PC 40:5; PC 18:0-22:5; [M+Hac-H]-PC 18:0_22:5ME279986--5.7115192894.6232
PC (40:6)PC 40:6ME279985--5.298522892.6074
PC 40:6; PC 18:0-22:6; [M+FA-H]-PC 18:0_22:6ME279977--5.3163064878.5928
PC 40:7; PC 18:1-22:6; [M+Hac-H]-PC 18:1_22:6ME279984--4.7871569890.5924
PC 40:8; PC 18:2-22:6; [M+Hac-H]-PC 18:2_22:6ME279983--4.3767156888.5773
PC 42:10; PC 20:4-22:6; [M+Hac-H]-PC 20:4_22:6ME279993--4.2598513912.5779
PC 42:7; PC 20:1-22:6; [M+Hac-H]-PC 20:1_22:6ME279995--5.3396949918.6239
PE(18:1e/18-HETE)PE 38:4ME279886--4.6704319766.5394
PE 34:1; PE 16:0-18:1; [M-H]-PE 16:0_18:1ME279860--5.5643394716.5249
PE 34:3; PE 16:0-18:3; [M-H]-PE 16:0_18:3ME279859--4.7634295712.4929
PE 36:1; PE 18:0-18:1; [M-H]-PE 18:0_18:1ME279873--6.2064143744.5568
PE 36:2e; PE 18:1e/18:1; [M-H]-PE O-18:1/18:1ME279865--6.4880674728.5612
PE 36:2; PE 18:0-18:2; [M-H]-PE 18:0_18:2ME279872--5.6858648742.5407
PE (36:3) [M-H]- _DOILLFCKSSPXMF-ZKZIFNJMSA-NPE 36:3ME279870--5.1852791740.523624
PE 36:3; PE 18:1-18:2; [M-H]-PE 18:1_18:2ME279871--5.132482740.5247
PE 36:4e; PE 18:2e/18:2; [M-H]-PE O-18:2/18:2ME279863--5.4125648724.5303
PE 36:4; PE 16:0-20:4; [M-H]-PE 16:0_20:4ME279869--4.9842494738.5091
PE 36:6e; PE 16:1e/20:5; [M-H]-PE O-16:1/20:5ME279861--4.8483764720.4978
PE 38:4e; PE 18:0e/20:4; [M-H]-PE O-18:0/20:4ME279880--6.0033871752.5606
PE 38:4; PE 18:0-20:4; [M-H]-PE 18:0_20:4ME279887--5.5841473766.5403
PE 38:5; PE 18:1-20:4; [M-H]-PE 18:1_20:4ME279885--5.0225542764.5249
PE 38:6e; PE 18:1e/20:5; [M-H]-PE O-18:1/20:5ME279877--5.4490619748.528624
PE 38:6e; PE 18:2e/20:4; [M-H]-PE O-18:2/20:4ME279878--5.2863046748.5296
PE 38:6; PE 16:0-22:6; [M-H]-PE 16:0_22:6ME279884--4.8278417762.5085
PE 38:7e; PE 16:1e/22:6; [M-H]-PE O-16:1/22:6ME279875--5.0764383746.51
PE 40:5e; PE 18:0e/22:5; [M-H]-PE O-18:0/22:5ME279893--6.0020003778.576
PE 40:5; PE 18:0-22:5; [M-H]-PE 18:0_22:5ME279901--5.6128418792.5558
PE 40:6e; PE 18:0e/22:6; [M-H]-PE O-18:0/22:6ME279890--5.8098622776.5613
PE 40:6; PE 18:0-22:6; [M-H]-PE 18:0_22:6ME279899--5.4274555790.5405
PE 40:7; PE 18:1-22:6; [M-H]-PE 18:1_22:6ME279897--4.8971498788.5248
PE 40:8e; PE 18:2e/22:6; [M-H]-PE O-18:2/22:6ME279888--5.1893174772.528624
PG 36:0; PG 17:0-19:0; [M-H]-PG 17:0_19:0ME279892--5.51706777.563
PI(18:0/20-HETE)PI 40:6ME279990--3.6516362901.5463
PI 32:0; PI 16:0-16:0; [M-H]-PI 16:0/16:0ME279911--4.2837779809.5194
PI 32:1; PI 16:0-16:1; [M-H]-PI 16:0_16:1ME279910--3.9001491807.5045
PI 34:1; PI 16:0-18:1; [M-H]-PI 16:0_18:1ME279928--4.3450568835.5358
PI 34:2; PI 16:0-18:2; [M-H]-PI 16:0_18:2ME279927--4.0099706833.5194
PI 35:2; PI 17:0-18:2; [M-H]-PI 17:0_18:2ME279940--4.2453052847.5347
PI 36:1; PI 18:0-18:1; [M-H]-PI 18:0_18:1ME279958--4.9096486863.5664
PI 36:2; PI 18:0-18:2; [M-H]-PI 18:0_18:2ME279956--4.4729801861.5513
PI 36:3; PI 18:1-18:2; [M-H]-PI 18:1_18:2ME279953--4.0600608859.5351
PI 36:4; PI 16:0-20:4; [M-H]-PI 16:0_20:4ME279950--3.9543356857.5193
PI 37:2; PI 19:0-18:2; [M-H]-PI 18:2_19:0ME279976--4.7462205875.5665
PI 37:4; PI 17:0-20:4; [M-H]-PI 17:0_20:4ME279971--4.1809547871.5354
PI 38:3; PI 18:0-20:3; [M-H]-PI 18:0_20:3ME279982--4.6409264887.5665
PI 38:4; PI 18:0-20:4; [M-H]-PI 18:0_20:4ME279981--4.4158852885.5512
PI 38:5; PI 18:1-20:4; [M-H]-PI 18:1_20:4ME279980--4.0015798883.5355
PI 38:6; PI 16:0-22:6; [M-H]-PI 16:0_22:6ME279978--3.8798699881.5199
PI 39:4; PI 19:0-20:4; [M-H]-PI 19:0_20:4ME279989--4.7329307899.5675
PI 40:4; PI 20:0-20:4; [M-H]-PI 20:0_20:4ME279994--4.7625986913.5828
PI 40:5; PI 18:0-22:5; [M-H]-PI 18:0_22:5ME279992--4.4465297911.5667
PI 40:6; PI 18:0-22:6; [M-H]-PI 18:0_22:6ME279991--4.2957707909.5512
SM d32:1; SM d16:1/16:0; [M+Hac-H]-SM 16:1;O2/16:0ME279868--4.0916854733.5516
SM d32:2; SM d18:2/14:0; [M+Hac-H]-SM 18:2;O2/14:0ME279866--3.6601266731.5357
SM d33:1; SM d17:1/16:0; [M+Hac-H]-SM 17:1;O2/16:0ME279876--4.3594701747.5667
SM (d34:1)SM 34:1;O2ME279883--4.6316112761.5815
SM d34:2; SM d18:2/16:0; [M+Hac-H]-SM 18:2;O2/16:0ME279882--4.175337759.5668
SM d35:1; SM d18:1/17:0; [M+Hac-H]-SM 18:1;O2/17:0ME279889--4.9624833775.5987
SM (d36:2)SM 36:2;O2ME279896--4.7505872787.5971
SM d38:1; SM d16:1/22:0; [M+FA-H]-SM 16:1;O2/22:0ME279907--5.9481654803.6284
SM d38:2; SM d18:2/20:0; [M+Hac-H]-SM 18:2;O2/20:0ME279915--5.3786937815.6298
SM d39:1; SM d16:1/23:0; [M+Hac-H]-SM 16:1;O2/23:0ME279924--6.2829373831.6611
SM d40:1; SM d18:1/22:0; [M+FA-H]-SM 18:1;O2/22:0ME279923--6.5978277831.6597
SM d40:2; SM d14:0/26:2; [M+FA-H]-SM 14:0;O2/26:2ME279921--6.0457439829.6441
SM d40:2; SM d18:2/22:0; [M+Hac-H]-SM 18:2;O2/22:0ME279935--6.016981843.6614
SM d40:3; SM d14:1/26:2; [M+Hac-H]-SM 14:1;O2/26:2ME279932--5.3872264841.6449
SM d41:1; SM d18:1/23:0; [M+FA-H]-SM 18:1;O2/23:0ME279938--6.9299359845.6754
SM d41:2; SM d18:2/23:0; [M+Hac-H]-SM 18:2;O2/23:0ME279951--6.3623954857.6766
SM d42:1; SM d18:1/24:0; [M+FA-H]-SM 18:1;O2/24:0ME279954--7.2499505859.6923
SM d42:2; SM d18:1/24:1; [M+Hac-H]-SM 18:1;O2/24:1ME279973--6.5736212871.6925
SM d42:2; SM d18:2/24:0; [M+Hac-H]-SM 18:2;O2/24:0ME279972--6.6961683871.691
SM d42:3; SM d18:2/24:1; [M+Hac-H]-SM 18:2;O2/24:1ME279968--6.0723139869.6754
SM d42:5; SM d14:3/28:2; [M+Hac-H]-SM 14:3;O2/28:2*ME279961--5.1477318865.6457


Analysis: HILIC POSITIVE ION MODE/Orbitrap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1_15N2-L-Arginine iSTD-ME279996--9.5177.113
1_CUDA iSTD-ME279997--1.2341.28
1_D3-1-Methylnicotinamide iSTD-ME279998--6.3140.09
1_D3-AC(2:0) iSTD-ME279999--7.2207.142
1_D3-Creatine iSTD-ME280000--8.2135.096
1_D3-Creatinine iSTD-ME280001--5117.085
1_D3-DL-Alanine iSTD-ME280002--8.293.074
1_D3-DL-Aspartic acid iSTD-ME280003--9.3137.064
1_D3-DL-Glutamic acid iSTD-ME280004--8.9151.079
1_D3-Histamine, N-methyl- iSTD-ME280005--7.4129.121
1_D3-L-Carnitine iSTD-ME280006--7.8165.131
1_D5-L-Glutamine iSTD-ME280007--8.7152.108
1_D9-Betaine iSTD-ME280008--7.3127.143
1_D9-Butyrobetaine iSTD-ME280009--7.8155.174
1_D9-Choline iSTD-ME280010--5.2113.164
1_D9-Crotonobetaine iSTD-ME280011--7.9153.158
1_D9-TMAO iSTD-ME280012--5.685.132
1-Methyladenosine1-MethyladenosineME280100--7.5282.12
1-Methylguanosine1-MethylguanosineME280101--5.8298.115
1-Methyl-L-histidine1-MethylhistidineME280017--9.1170.092
1-Methylnicotinamide1-Methyl nicotinamideME280128--6.3137.071
1_Val-Tyr-Val iSTDVal-Tyr-ValME280013--7380.218
2'-DeoxycytidineDeoxycytidineME280129--5.9228.098
2'-DeoxyguanosineDeoxyguanosineME280102--6.4268.105
2-IndolinoneIndolin-2-oneME280018--1.4134.06
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME280014--7.2262.165
3-Guanidinopropionic acid3-Guanidinopropanoic acidME280103--8.2132.077
3-HydroxybutyrylcarnitineCAR 4:0;3OHME280019--7.6248.149
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME280104--1.5153.055
3-Hydroxyprolinecis-3-HydroxyprolineME280105--8.2132.066
3-Indoleacetic acidIndoleacetic acidME280106--1.3176.071
3-Ureidopropionic acidUreidopropionic acidME280130--5.6133.061
4-Acetamidobutyric acid4-Acetamidobutanoic acidME280131--2.3146.082
4-Aminobenzoic acidp-Aminobenzoic acidME280132--7.5138.056
4-Guanidinobutyric acid4-Guanidinobutanoic acidME280133--7.7146.093
4-Hydroxynonenal4-HydroxynonenalME280020--1.1157.122
4-Pyridoxic acid4-Pyridoxic acidME280021--2.7184.061
5-Aminovaleric acid5-Aminopentanoic acidME280107--7.2118.087
5-Hydroxytryptophan5-Hydroxy-tryptophanME280108--7.8221.093
5-Hydroxytryptophol5-HydroxytryptopholME280022--5.9160.076
5-Methoxy-3-indoleacetic acid5-Methoxyindoleacetic acidME280109--1.3206.082
5-Methylcytosine5-MethylcytosineME280023--6.6126.066
5'-Methylthioadenosine5'-MethylthioadenosineME280134--2.5298.097
6-MethyladenosineN6-MethyladenosineME280135--3.6282.12
7-Keto-3a,12-a-dihydroxycholanic acid7-Ketodeoxycholic acidME280024--1.4353.247
AcetylcarnitineCAR 2:0ME280136--7.2204.123
AdenineAdenineME280137--4.7136.062
AdenosineAdenosineME280138--4.6268.105
Adenosine-3-monophosphate3'-AMPME280139--9348.071
AgmatineAgmatineME280140--8.9131.13
Ala-AlaAla-AlaME280141--8.4161.093
Ala-GlnAla-GlnME280025--9.1218.113
Ala-IleAla-IleME280110--7.8203.14
AlanineAlanineME280142--8.290.055
Allantoic acidAllantoic acidME280143--8.7177.062
Androstane-3,17-diol3alpha-AndrostanediolME280144--1293.248
AndrosteroneAndrosteroneME280145--4.6291.232
AnserineAnserineME280146--9.6241.13
Arg-AlaArg-AlaME280026--9.7246.156
Arg-AsnArg-AsnME280027--9.9289.161
Arg-GlnArg-GlnME280028--9.9303.177
Arg-GlyArg-GlyME280029--9.9232.14
ArginineArginineME280147--9.5175.12
Arg-MetArg-MetME280030--9.2306.159
Arg-ProArg-ProME280031--9.5272.171
Arg-SerArg-SerME280032--9.9262.151
Arg-TyrArg-TyrME280033--9.3338.182
Arg-ValArg-ValME280034--9.3274.187
Asn-LysAsn-LysME280035--9.9261.156
AsparagineAsparagineME280148--8.8133.061
Aspartic acidAspartic acidME280149--9.3134.046
BetaineBetaineME280111--7.2118.087
BiliverdinBiliverdinME280150--1.5583.256
BiotinBiotinME280151--2.9245.096
CaffeineCaffeineME280152--1.2195.088
CarnitineCarnitineME280153--7.8162.113
CarnosineCarnosineME280154--9.4227.115
Chenodeoxycholic acidChenodeoxycholic acidME280036--1.5357.278
Cholic acidCholic acidME280037--2.6355.263
Choline [M]+CholineME280155--5.2104.107
CitrullineCitrullineME280156--8.9176.104
CorticosteroneCorticosteroneME280038--1.1347.222
CortisoneCortisoneME280112--1.3361.202
CotinineCotinineME280157--1.5177.103
CreatineCreatineME280158--8.2132.077
CreatinineCreatinineME280113--4.9114.067
CystathionineCystathionineME280159--9.9223.075
CytosineCytosineME280114--5.9112.051
DL-2-Methylglutamic acidN-Methyl-glutamic acidME280160--8.5162.076
EcgonineEcgonineME280161--7.6186.113
GalactosamineGalactosamineME280115--8.4180.087
gamma-Aminobutyric Acid (GABA)gamma-Aminobutyric acidME280162--7.9104.071
gamma-Glutamylleucinegamma-GlutamylleucineME280163--8.1261.145
gamma-Glutamylmethioninegamma-GlutamylmethionineME280164--8.6279.101
Gln-Leu-ArgGln-Leu-ArgME280039--9.3416.261
Gln-ThrGln-ThrME280040--9.2248.124
Glu-ArgGlu-ArgME280041--9.9304.161
GluconolactoneGluconolactoneME280042--8.2179.056
Glu-GlnGlu-GlnME280165--9.6276.12
Glu-LysGlu-LysME280043--9.9276.155
Glu-PheGlu-PheME280044--8.2295.129
Glutamic acidGlutamic acidME280166--8.9148.061
GlutamineGlutamineME280167--8.7147.077
Glutathione (oxidized)GlutathioneME280168--10.2613.16
Glutathione, reducedGlutathioneME280169--9.2308.091
Glu-ThrGlu-ThrME280170--9.4249.109
Glycerophosphocholinesn-Glycero-3-phosphocholineME280045--8.7258.11
Glycyl-leucineGly-LeuME280046--8.1189.124
Gly-Gly-GlyGly-Gly-GlyME280116--9.3190.083
Gly-ProGly-ProME280117--8.6173.093
Gly-valGly-ValME280171--8.1175.108
GuanosineGuanosineME280172--7.3284.099
Hexanoyl-L-carnitineCAR 6:0ME280047--5.1260.185
His-LeuHis-LeuME280048--8.2269.161
HistamineHistamineME280173--8.3112.087
HistidineHistidineME280174--9.5156.077
His-ValHis-ValME280049--8.6255.145
HomoarginineHomoarginineME280175--9.4189.135
HydrocortisoneCortisolME280050--2.6363.217
HypoxanthineHypoxanthineME280176--5137.046
InosineInosineME280118--6.3269.089
IsoleucineIsoleucineME280177--7.3132.102
Isovaleryl-L-carnitineCAR 4:0;3MeME280051--5.4246.17
KynurenineKynurenineME280178--7209.093
Lauroyl-L-carnitineCAR 12:0ME280052--3.6344.279
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME280054--10.2427.095
L-Cysteine S-sulfateCysteine-S-sulfateME280053--8.1201.984
Leu-AlaLeu-AlaME280055--5203.139
Leu-ArgLeu-ArgME280056--8.9288.203
LeucineLeucineME280179--7.1132.103
Leu-ProLeu-ProME280057--7.3229.154
L-HomocitrullineHomocitrullineME280058--8.7190.118
LinoleoylcarnitineCAR 18:2ME280059--3.1424.342
Lys-GlnLys-GlnME280060--9.9275.171
Lys-GlyLys-GlyME280061--9.8204.134
LysineLysineME280180--9.6147.113
Lys-ValLys-ValME280062--9.4246.181
MethionineMethionineME280181--7.5150.059
Methioninesulfoxide BMethionine sulfoxideME280182--8.6166.053
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME280119--5.6312.131
N8-AcetylspermidineN8-AcetylspermidineME280184--8.9188.176
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME280120--1.4219.113
N-AcetylalanineN-AcetylalanineME280185--4.8132.066
N-AcetylcytidineN4-AcetylcytidineME280121--5.1286.104
N-AcetylglucosamineN-Acetyl-D-glucosamineME280122--7.4222.098
N-Acetylglutamic acidN-Acetylglutamic acidME280186--7.8190.071
N-Acetyl-L-carnosineN-AcetylcarnosineME280066--8.4269.124
N-Acetyl-L-glutamineN-AcetylglutamineME280067--8.2189.087
N-AcetylmethionineN-AcetylmethionineME280187--3.2192.069
N-AcetylphenylalanineN-AcetylphenylalanineME280123--2.6208.097
N-AcetyltryptophanN-Acetyl-tryptophanME280188--2.8247.107
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME280063--8.2217.129
N.alpha.-Acetyl-L-lysineN(2)-AcetyllysineME280064--8.2189.123
N-alpha-Acetyl-L-ornithineN-AcetylornithineME280068--8.3175.107
N.alpha.-Methyl-L-lysineN(2)-Methyl-lysineME280065--7.4144.102
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME280069--9.3189.16
N-FormylmethionineN-FormylmethionineME280070--3.9178.054
NG,NG-Dimethyl-L-arginineDimethylarginineME280071--9203.15
NicotinamideNiacinamideME280189--1.7123.056
Nicotinamide riboside cationNicotinamide ribosideME280072--7.5255.097
N-MethylhistidineN-MethylhistidineME280190--9.5170.093
N-Methylleucine-ME280124--6.5146.118
N-MethyllysineN(6)-MethyllysineME280191--9.4161.129
N-MethylprolineN-Methyl-prolineME280192--7.1130.087
N-Methyltyrosine-ME280125--6.8196.097
N,N-DimethylarginineDimethylarginineME280183--9.1203.151
O-Acetyl-L-homoserineO-Acetyl-homoserineME280073--7.6162.076
OrnithineOrnithineME280193--9.6133.098
Pantothenic acidPantothenic acidME280194--3.5220.118
Phe-LysPhe-LysME280074--8.9294.181
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME280075--6265.118
PhenylalaninePhenylalanineME280195--6.9166.087
Pipecolic acidPipecolic acidME280196--7.8130.087
Pro-GlnPro-GlnME280076--8.8244.129
ProlineProlineME280197--7.8116.071
Proline-hydroxyprolinePro-hydroxyProME280198--8.6229.119
PropionylcarnitineCAR 3:0ME280199--6.4218.139
PutrescinePutrescineME280126--9.389.108
PyridoxalPyridoxalME280077--2.2150.055
PyridoxaminePyridoxamineME280200--8.1169.098
(R)-ButyrylcarnitineCAR 4:0ME280015--5.8232.154
Retinoic acidRetinoic acidME280127--1.1301.217
S-Adenosyl-homocysteineS-AdenosylhomocysteineME280201--8.9385.129
S-Adenosyl-methionineS-AdenosylmethionineME280202--9.8399.145
(S)-Cotinine N-oxideCotinine N-oxideME280016--3.9193.097
Ser-GluSer-GluME280078--9.7235.092
Ser-HisSer-HisME280079--9.8243.109
SerineSerineME280203--8.7106.051
Ser-LysSer-LysME280080--9.9234.144
Ser-ThrSer-ThrME280081--9.2207.097
Ser-TyrSer-TyrME280082--8.4269.113
Ser-Tyr-LysSer-Tyr-LysME280083--9.6397.207
SpermidineSpermidineME280084--7146.165
StachydrineStachydrineME280085--7.1144.102
Stearoyl-L-carnitineCAR 18:0ME280086--3428.373
TarginineTarginineME280204--9.2189.135
TaurineTaurineME280205--7.9126.022
Taurocholic acidTaurocholic acidME280206--6.3538.28
Tauroursodeoxycholic acidTauroursodeoxycholic acidME280087--5.5464.282
Thr-AlaThr-AlaME280088--8.6191.102
Thr-ArgThr-ArgME280089--9.7276.166
Thr-AsnThr-AsnME280090--9.5234.108
ThreonineThreonineME280207--8.3120.066
Thr-LysThr-LysME280091--9.8248.16
TMAOTrimethylamine N-oxideME280208--5.676.076
trans-3'-Hydroxycotininetrans-3-HydroxycotinineME280092--2193.097
TryptamineTryptamineME280093--6.9144.081
TryptophanTryptophanME280209--6.9205.098
Tyr-ArgTyr-ArgME280094--9.3338.182
Tyr-LysTyr-LysME280095--9.4310.176
TyrosineTyrosineME280210--7.7182.082
Val-GlnVal-GlnME280096--8.5246.145
Val-HisVal-HisME280097--9.2255.145
ValineValineME280211--7.2118.087
Val-PheVal-PheME280098--6.7265.154
XanthineXanthineME280099--5.7153.041


Analysis: HILIC NEGATIVE ION MODE/Orbitrap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME280220--1.18187.133426
1_15N2-L-Arginine iSTD-ME280212--9.41175.0974
12(13)-Epoxy-9Z-octadecenoic acid12(13)-EpOMEME280221--1.0084324295.2276
12R-Hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid12R-HETEME280222--1.0023624319.2276
14-Hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic a...14-HDoHEME280223--0.98881474343.2276
1_CUDA iSTD-ME280213--1.1339.2642
1_D3-Creatinine iSTD-ME280214--4.71115.0694
1_D3-DL-Alanine iSTD-ME280215--7.9791.0581
1_D3-DL-Aspartic acid iSTD-ME280216--9.09135.048
1_D3-DL-Glutamic acid iSTD-ME280217--8.65149.0636
1_D5-L-Glutamine iSTD-ME280218--8.46150.0922
1_Val-Tyr-Val iSTDVal-Tyr-ValME280219--6.79378.2023
2,3-Dihydroxybenzoic acid B2-Pyrocatechuic acidME280224--2.6153.0188
2,6-Dihydroxy-4-methylbenzoic acid-ME280225--1.0384289167.0341
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME280226--1.0226406153.0182
2-Aminoadipic acidalpha-Aminoadipic acidME280227--8.35160.0604
2-DeoxyuridineDeoxyuridineME280228--2.92227.06679
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME280229--1.55117.0552
2-Hydroxy-4-methylpentanoic acidLeucinic acidME280230--1.61131.0708
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME280231--2.41103.0395
2-Hydroxyquinoline2-HydroxyquinolineME280232--1.04144.04494
2-Methoxy-4-vinylphenol2-Methoxy-4-vinylphenolME280233--8.65149.06026
3-(3-Hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME280234--1.3165.055163
3-Hydroxy-4-methoxybenzoic acid3-Hydroxy-4-methoxybenzoic acidME280235--2.45167.0339
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME280236--1.2422475159.1017
3-Hydroxyvaleric acid3-Hydroxyvaleric acidME280237--1.86117.0552
3-Indolepropionic acid3-Indolepropionic acidME280238--1.1188.071154
3-Methyladipic acid3-Methyladipic acidME280239--1.67159.0657
3-Methylhistidine3-MethylhistidineME280240--9.34168.077304
3-Phenyllactic acidPhenyllactic acidME280241--1.85165.0552
4-Acetamidobutyric acid4-Acetamidobutanoic acidME280242--2.3144.066073
4-Acetylbutyric acid5-Ketocaproic acidME280243--1.348129.055163
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME280244--1.55137.0239
4-Methyl-2-oxovaleric AcidKetoleucineME280245--2.42129.055163
4-Methylcatechol4-MethylcatecholME280246--1.1123.0446
4-Pyridoxic acid4-Pyridoxic acidME280247--2.55182.045337
5,8,11,14-Eicosatetraenoic acid, 16-hydroxy-, (5Z,...16R-HETEME280248--0.95729136301.2174
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME280249--1.67190.0504
6-Hydroxycaproic acid6-Hydroxycaproic acidME280250--1.292131.0708
6-trans-12-epi-Leukotriene B46-trans-12-epi-LTB4ME280251--1.1880054335.2224
7-Keto-3.alpha.,12-.alpha.-dihydroxycholanic acid7-Ketodeoxycholic acidME280252--1.3866212405.2645
Aconitic acidcis-Aconitic acidME280253--7.7173.0086
Ala-AlaAla-AlaME280254--8.23159.076968
AllantoinAllantoinME280255--5.52157.036166
AnserineAnserineME280256--9.477239.1142
Arg-GlyArg-GlyME280257--9.663749230.1254
ArginineArginineME280258--9.41173.1042
AsparagineAsparagineME280259--8.61131.0452
Aspartic acidAspartic acidME280260--9.1132.0302
Azelaic acidAzelaic acidME280261--1.35187.0968
Benzoic acidBenzoic acidME280262--1.092121.029
CarnosineCarnosineME280263--9.527225.0992
Cholic acidCholic acidME280264--2.27407.279742
Citraconic acidCitraconic acidME280265--1.55129.018786
Citric acidCitric acidME280266--9.15191.0192
CitrullineCitrullineME280267--8.7174.0879
CreatinineCreatinineME280268--4.71112.0512
CystathionineCystathionineME280269--9.8221.0592
CystineCystineME280270--9.86239.016
D-Arabinonic acidArabinonic acidME280271--9.4747854165.0393
delta-Hydroxylysine5-HydroxylysineME280272--9.73161.0922
D-Gluconic acidGluconic acidME280273--9.5249514195.0501
Docosahexanoic acidDHAME280274--0.95327.2324
D-Ribose 1-phosphateRibose 1-phosphateME280275--9.152011229.0115
Ethyl-beta-glucuronideEthyl glucuronideME280276--7.63221.0661
Ferulic acidtrans-Ferulic acidME280277--1.22193.050082
Fumaric acidFumaric acidME280278--1.6115.0031
Galactonic acidGalactonic acidME280279--8.7164194195.0501
GalactoseGalactoseME280280--7.7179.05556
gamma-Glutamylmethioninegamma-GlutamylmethionineME280281--8.35277.0858
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME280282--8.4309.1087
Gentisinic acidGentisic acidME280283--2.96153.018786
Gln-ThrGln-ThrME280284--8.9205991246.1093
GlucoseGlucoseME280285--7.68179.0556
Glucose-6-phosphateGlucose 6-phosphateME280286--9.7259.0219
Glucuronic acid AGlucuronic acidME280287--9193.0348
Glu-GlnGlu-GlnME280288--9.54274.1039
Glu-HisGlu-HisME280289--9.7278172283.1045
Glu-LysGlu-LysME280290--9.7383782274.1408
Glu-SerGlu-SerME280291--9.51233.0776
Glutamic acidGlutamic acidME280292--8.65146.045337
GlutamineGlutamineME280293--8.46145.0612
Glutaric acidGlutaric acidME280294--2.7131.0344
Glu-ThrGlu-ThrME280295--9.066247.093005
Gly-AsnGly-AsnME280296--9.3188.0667
Glycolic acidGlycolic acidME280297--7.2175.00822
Gly-GluGly-GluME280298--9.3203.0666
Guanidinoacetic acidGuanidoacetic acidME280299--8.1116.046
HexanoylglycineHexanoylglycineME280300--2.15172.0969
His-GlyHis-GlyME280301--9.4695403211.0829
HistidineHistidineME280302--9.34154.0616
HomoarginineHomoarginineME280303--9.3187.119494
Homovanillic acidHomovanillic acidME280304--1.35181.0501
HypoxanthineHypoxanthineME280305--4.77135.030688
Indole-3-carboxylic acidIndole-3-carboxylic acidME280306--1.3160.039859
Indolelactic acidIndolelactic acidME280307--2.16204.0661
Indoxyl sulfateIndoxyl sulfateME280308--1.29212.0018
Isocitric acidIsocitric acidME280309--9.2160509173.0081
IsoleucineIsoleucineME280310--7.1130.0872
Ketoisovaleric acidKetoisovaleric acidME280311--3.07115.039515
Kynurenic acidKynurenic acidME280312--6.11188.034762
L-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME280314--5.5518682129.0181
L-CarnosineCarnosineME280315--9.34154.061
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME280316--10.029794425.0804
LeucineLeucineME280317--6.89130.0872
L-.gamma.-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME280313--9.3275.0884
LysineLysineME280318--9.5145.0977
Lys-ThrLys-ThrME280319--9.6336891246.1456
Malic acidMalic acidME280320--9.34133.0137
MannitolMannitolME280321--7.68181.0712
MethioninesulfoxideMethionine sulfoxideME280322--8.42164.038134
Methylsuccinic acidMethylsuccinic acidME280323--2.68131.034427
N-AcetylglycineN-AcetylglycineME280326--7.22116.03477
N-AcetylhistidineN-AcetylhistidineME280327--8196.072223
N-Acetyl-L-tyrosineN-AcetyltyrosineME280328--4.7222.0765
N-AcetylmethionineN-AcetylmethionineME280329--3.04190.0538
N-AcetylphenylalanineN-AcetylphenylalanineME280330--2.6206.081714
N-AcetyltryptophanN-Acetyl-tryptophanME280331--2.67245.092624
N-.alpha.-Acetyl-L-ornithineN-AcetylornithineME280325--8.13173.0921
N-epsilon-AcetyllysineN6-AcetyllysineME280332--7.97187.108264
N-IsovalerylglycineIsovalerylglycineME280333--2.65158.081714
N-MethyllysineN(6)-MethyllysineME280334--9.2159.11336
N,N-DimethylarginineDimethylarginineME280324--8.8201.13515
OrnithineOrnithineME280335--9.55131.082049
Orotic acidOrotic acidME280336--7.3155.0093
Pantothenic acidPantothenic acidME280337--3.31218.1028
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME280339--5.86263.1032
PhenylalaninePhenylalanineME280340--6.76164.071154
Phenyl glucuronidePhenyl glucuronideME280338--6.8806344269.0664
Phenylpyruvic acidPhenylpyruvic acidME280341--1.35163.0395
Pimelic acidPimelic acidME280342--1.67159.065738
Pro-GlyPro-GlyME280343--8.1280419171.0764
PseudouridinePseudouridineME280344--6.88243.0622
Pyroglutamic acidPyroglutamic acidME280345--8.734128.034762
Pyruvic acidPyruvic acidME280346--5.1287.00822
Quinic acidQuinic acidME280347--9.54191.0556
SerineSerineME280348--8.55104.03477
Ser-ThrSer-ThrME280349--9205.0823
SorboseSorboseME280350--7.45179.0556
S-SulfocysteineCysteine-S-sulfateME280351--7.8714149199.9688
Succinic acidSuccinic acidME280352--3.84117.018786
SucroseSucroseME280353--8.31341.1084
Tartaric acidTartaric acidME280354--9.86149.0086
TaurineTaurineME280355--7.67124.0068
TheophyllineTheophyllineME280356--1.4179.0569
Threonic acidThreonic acidME280357--9.536135.0293
Thr-ThrThr-ThrME280358--8.66219.0981
ThymidineThymidineME280359--2.54241.0824
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME280360--7.97130.0497
trans-Traumatic acidTraumatic acidME280361--1.2793535227.1284
TryptophanTryptophanME280362--6.74203.082049
TyrosineTyrosineME280363--7.61180.0662
UracilUracilME280364--2.3111.01945
Uric acidUric acidME280365--8.6697536167.02
UridineUridineME280366--4.77243.0617
ValineValineME280367--7.67116.0712


Analysis: Reversed phase UNSPECIFIED ION MODE/Ion trap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
9,10-Epoxystearic acid9,10-Epoxystearic acidME28042115868-14297
20-Hydroxyarachidonic acid20-HETEME280403123803-10319
9S,10R-dihydroxy-stearic acid9S,10R-Dihydroxystearic acidME280381441460-9315
Prostaglandin D2PGD2ME280372448457-5351
1-Phenylurea-3-hexanoic acid1-Phenylurea-3-hexanoic acidME2804444137915-3249
Prostaglandin E2PGE2ME2803715280360-5351
Prostaglandin F2aPGF2alphaME2803755280363-4353
Leukotriene B4LTB4ME2803975280492-8369
15-ketoeicosa-5,8,11,13-tetraenoic acid15-Oxo-ETEME2804195280701-12317
15-Keto-prostaglandin E215-Keto-PGE2ME2803745280719-5349
13-hydroperoxyoctadeca-9,11-dienoic acidE,E-13-HpODEME2804365280720-11311
Prostaglandin E1PGE1ME2803705280723-5353
15-hydroxyeicosa-5,8,11,13-tetraenoic acid15S-HETEME2804045280724-11319
5-Hydroxy-6,8,11,14-eicosatetraenoic acid5S-HETEME2804095280733-13319
5-hydroperoxyeicosa-6,8,11,14-tetraenoic acid5S-HpETEME2804405280778-13335
6-Ketoprostaglandin F1 alpha6-Keto-PGF1alphaME2803695280888-3369
12-hydroperoxyicosa-5,8,10,14-tetraenoic acid12S-HpETEME2804395280892-12335
15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid15S-HpETEME2804385280893-11335
5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acidLipoxin A4ME2803795280914-5351
Prostaglandin E3PGE3ME2803765280937-4349
9,11,15-trihydroxy-5,13,1Z-prostatrienoic acidPGF3alphaME2803775280940-4351
10-nitrolinoleic acid10-Nitrolinoleic acidME2804435282259-14324
9-Hydroxylinoleic acidDimorphecolic acidME2804005282944-11295
trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid9-oxo-12(13)-EpOMEME2804225283007-10309
Prostaglandin F2a-d4PGF2alphaME2804475283029-4357
Prostaglandin D2-d4PGD2ME2804485283030-5355
6-keto Prostaglandin F1a-d46-Keto-PGF1alphaME2804455283044-3373
Leukotriene B5LTB5ME2803985283125-7333
6-trans-Leukotriene B46-trans-LTB4ME2803965283128-8335
Thromboxane B2TXB2ME2803685283137-4369
5,6-dihydroxyeicosa-8,11,14-trienoic acid5,6-DiHETEME2803905283142-11337
8,9-dihydroxyeicosa-5,11,14-trienoic acid8,9-DiHETrEME2803895283144-10337
11,12-Dihydroxyicosa-5,8,14-trienoic acid11,12-DiHETrEME2803885283146-9337
14,15-dihydroxyeicosa-5,8,11-trienoic acid14,15-DiHETrEME2803875283147-9337
5(S)-HETE-d85S-HETEME2804565283153-13327
8-hydroxyeicosa-5,9,11,14-tetraenoic acid8-HETEME2804065283154-12319
12-Hydroxy-5,8,10,14-eicosatetraenoic acid12S-HETEME2804055283155-12319
5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid5,15-DiHETEME2803955283158-7335
5-ketoeicosa-6,8,11,14-tetraenoic acid5-Oxo-ETEME2804205283159-13317
12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid12-HEPEME2804115283191-10317
5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid5-HEPEME2804135283193-11317
8,9-Epoxyeicosa-5,11,14-trienoic acid8,9-EpETrEME2804305283203-14319
11,12-Epoxyeicosa-5,8,14-trienoic acid11,12-EpETrEME2804295283204-13319
11-Hydroxy-14,15-epoxyeicosatrienoic acid14,15-Ep-11-HETrEME2804285283205-13319
15-Deoxy-delta-12,14-Prostaglandin J215-Deoxy-delta-12,14-PGJ2ME2803735311211-10315
11-Hydroxy-arachidonic acid11-HETEME2804075312981-12319
12,13-epoxy-9-octadecenoic acid12(13)-EpOMEME2804235356421-13295
9(10)-epoxy-12Z-octadecenoic acid9(10)-EpOMEME2804246246154-13313
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid17-HDoHEME2804146439179-11343
9-hydroperoxyoctadeca-10,12-dienoic acidE,E-9-HpODEME2804376439847-11311
13-Hydroxyoctadecadienoic acid13-HODEME2803996443013-11295
13-ketooctadeca-9,11-dienoic acid13-Oxo-ODEME2804176446027-11293
12(S)-HETE-d812S-HETEME2804556914100-12327
9-ketooctadeca-10,12-dienoic acid9-OxoODEME2804189839084-12293
9,12,13-trihydroxyoctadec-10-enoic acid9,12,13-TriHOMEME2803789858729-4329
9,10-dihydroxyoctadec-12-enoic acid9,10-DiHOMEME2803839966640-8313
12,13-dihydroxyoctadec-9-enoic acid12,13-DiHOMEME28038210236635-8313
13-hydroxyoctadeca-9,11,15-trienoic acid13-HOTEME28040110469728-10293
14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid14-HDoHEME28041511566378-12343
18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-penta...19(20)-EpDPEME28043411631565-13343
9-nitrooleic acid9-Nitrooleic acidME28044211645581-15326
9-hydroxyeicosa-5,7,11,14-tetraenoic acid9-HETEME28040814123398-12319
16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid16(17)-EpDPEME28043514392758-13343
4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid4-HDoHEME28041614429109-13343
10,11-Dihydroxyheptadecanoic acid-ME28045114454608-8301
9(S)-HODE-d49S-HODEME28045416061038-11299
9(10)-epoxy-12,15-octadecadienoic acidalpha-9(10)-EpODEME28042616061060-11293
12(13)-epoxy-9,15-octadecadienoic acidalpha-12(13)-EpODEME28042716061061-12293
15(16)-epoxy-9,12-octadecadienoic acidalpha-15(16)-EpODEME28042516061062-11293
9,10-dihydroxyoctadeca-12,15-dienoic acid9,10-DiHODEME28038616061066-7311
12,13-dihydroxyoctadeca-9,15-dienoic acid12,13-DiHODEME28038516061067-7311
15,16-dihydroxyoctadeca-9,12-dienoic acid15,16-DiHODEME28038416061068-7311
11(12)-epoxy-5,8,14,17- eicosatetraenoic acid11(12)-EpETEME28043316061087-12317
14(15)-epoxy-5,8,11,17-eicosatetraenoic acid14(15)-EpETEME28043216061088-12317
17,18-Epoxy-5,8,11,14-eicosatetraenoic acid17(18)-EpETEME28043116061089-11317
Leukotriene B4-d4LTB4ME28045016061113-8373
Thromboxane B2-d4TXB2ME28044616061116-4373
14,15-dihydroxyeicosa-5,8,11,17-tetraenoic acid14,15-DiHETEME28039216061119-8335
17,18-dihydroxyeicosa-5,8,11,14-tetraenoic acid17,18-DiHETEME28039116061120-7335
20-HETE-d620-HETEME28045316061123-10325
9-Hydroxy-5,7,11,14,17-icosapentaenoic acid9-HEPEME28041216061129-11317
15-hydroxyeicosa-5,8,11,13,17-pentaenoic acid15-HEPEME28041016061131-10317
19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid19,20-DiHDPEME28039316061148-9361
12-(cyclohexylcarbamoylamino)dodecanoic acid-ME28044922978774-8339
10-nitrooleic acid10-Nitrooleic acidME28044124836820-15326
Resolvin D1Resolvin D1ME28038044251266-5375
8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid8,15-DiHETEME28039453480358-7335
9-hydroxyoctadeca-10,12,15-trienoic acid9-HOTEME28040253480359-10293
(±)12(13)-EpOME-d412(13)-EpOMEME280457--13299
14,15-dihydroxyeicosa-5,8,11-trienoic acid-d1114,15-DiHETrEME280452--9348
9-Nitrooleate-d179-Nitrooleic acidME280458--15343


Analysis: Reversed phase NEGATIVE ION MODE/Ion trap

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
corticosteroneCorticosteroneME2804625753C021403.59347.222
cortisolCortisolME2804595754C007351.93363.217
estriolEstriolME2804845756C051411.33289.18
estradiolbeta-EstradiolME2804835757C009515.7273.185
aldosteroneAldosteroneME2804745839C017801.48361.201
estroneEstroneME2804825870C004687.62271.169
etiocholanoloneEtiocholanoloneME2804855880C0437311.58291.232
dehydroepiandrosteroneDehydroepiandrosteroneME2804725881C012277.88289.216
progesteroneProgesteroneME2804635994C0041013.8315.232
testosteroneTestosteroneME2804676013C005356.37289.216
androstenedioneAndrostenedioneME2804716128C002807.71287.201
cortexone11-DeoxycorticosteroneME2804696166C032057.26331.227
17a-Hydroxyprogesterone17alpha-HydroxyprogesteroneME2804606238C011768.49331.227
Taurocholic acidTaurocholic acidME2804946675-6.47514.284
pregnenolonePregnenoloneME2804868955C0195313.93317.248
20-hydroxyprogesterone-ME2804768956C0404211.07317.248
Lithocholic acidLithocholic acidME2805119903C0399013.15375.29
Chenodeoxycholic acidChenodeoxycholic acidME28050810133C0252812.57391.285
Glycocholic acidGlycocholic acidME28049910140C019218.01464.302
androstenediolAndrostenediolME28047910634C042955.57291.232
dihydrotestosterone5alpha-DihydrotesosteroneME28047310635C039179.54291.232
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME28050512544C0546611.32448.307
dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME28046812594C045553.35369.497
Ursodeoxycholic acidUrsodeoxycholic acidME28050431401C0788010.94391.285
beta-pregnanolone3alpha-Hydroxy-5beta-pregnane-20-oneME28046631402C0548011.97319.263
2-methoxyestradiol2-Methoxyestradiol-17betaME28047766414C053027.18303.195
17-OH pregnenolone17alpha-HydroxypregnenoloneME28047591451-7.41333.242
allo-pregnanolone3alpha-Hydroxy-5alpha-pregnan-20-oneME28046492786C1371215.7319.263
dihydroprogesterone5alpha-Pregnane-3,20-dioneME28048192810C0368115.8317.248
cortisol sulfateCortisol 21-sulfateME280470102172-1.5443.173
testosterone glucuronideTestosterone glucuronideME280488108192C111342.22465.248
Glycohyodeoxycholic acidGlycohyodeoxycholic acidME280497114611-7.98448.307
Glycolithocholic acidGlycolithocholic acidME280510115245C1555712.71432.312
a-Muricholic acidalpha-Muricholic acidME280498119473-8.04407.28
TaurodehydrocholateTaurodehydrocholic acidME280489121933-2.98508.237
Tauro-a-Muricholic acidTauro-alpha-muricholic acidME280491168408-3.77514.284
Cholic acidCholic acidME280503221493C0069510.69407.28
Deoxycholic acidDeoxycholic acidME280509222528C0448312.65391.285
cortisoneCortisoneME280461222786C007621.97361.201
androstanediolAndrostanediolME280478242332C125256.83293.248
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME280501387316C054658.87498.289
Taurolithocholic acidTaurolithocholic acidME280507439763C0259212.32482.295
cortexolone11-DeoxycortisolME280465440707C054883.94347.222
trans-androsteroneEpiandrosteroneME280487441302C076359.09291.232
Taurodeoxycholic acidTaurodeoxycholic acidME2805022733768-9.55498.289
Glycodeoxycholic acidGlycodeoxycholic acidME2805063035026C0546411.95448.307
?-Muricholic acidMuricholic acidME2804955283851C177277.69407.28
ß-Muricholic acidbeta-Muricholic acidME2805005283853C177268.43407.28
Tauroursodeoxycholic acidTauroursodeoxycholic acidME2804939848818C168686.15498.289
cis-androsteroneAndrosteroneME28048012306765C0052312.55291.232
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME28049612310288-7.81448.307
Chenodeoxycholic acid-d4Chenodeoxycholic acidME28052016217615-12.57395.310504
Cholic acid-d4Cholic acidME28051816217616-10.69411.305424
Tauro-ß-Muricholic acidTauro-beta-muricholic acidME28049221124703-3.92514.284
Glycochenodeoxycholic acid-d4Glycochenodeoxycholic acidME28051945039362-11.32452.331974
testosterone-d3TestosteroneME28051545040472-7.56292.235
Taurochenodeoxycholic acid-d4Taurochenodeoxycholic acidME28051757369414-8.87502.314614
17-OH progesterone-d8-ME28051259476914-9.3339.277
Deoxycholic acid-d4Deoxycholic acidME28052171309027-12.65395.310504
progesterone-d9ProgesteroneME28051471309321-14.05324.288
Glycocholic acid-d4Glycocholic acidME28051671309846-8.01468.326894
estradiol-d4beta-EstradiolME28051387229045-7.02277.21
Tauro-?-Muricholic acidTauromuricholic acidME280490118703092-3.53514.284
Lithocholic acid-d5Lithocholic acidME280522--13.15380.321824


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