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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
xylulose NISTXyluloseME279316439205C00312553450173
xyloseXyloseME279317135191C00181543267103
xylitolXylitolME2793186912C00379567437217
valineValineME2793196287C00183313502144
uridineUridineME2793206029C00299861508217
uric acidUric acidME2793211175C00366731038441
ureaUreaME2793221176C00086329351189
uracilUracilME2793231174C00106385735241
tyrosineTyrosineME2793246057C00082671252218
tryptophanTryptophanME2793256305C00078780482202
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2793265810C01157484934140
thymineThymineME2793271135C00178420133255
thymidineThymidineME2793285789C00214349402170
threonineThreonineME2793296288C00188409568218
threonic acidThreonic acidME2793305460407C01620497572292
taurineTaurineME2793311123C00245556690326
sulfuric acidTG 16:0_18:1_18:1ME2793321118C00059282411227
sucroseSucroseME2793335988C00089915139271
succinic acidSuccinic acidME2793341110C00042370608247
stearic acidStearic acidME2793355281C01530787622117
serineSerineME2793365951C00065395020218
saccharic acidGlucaric acidME27933733037C00818699211333
riboseRiboseME2793385779C00121553135217
ribonic acidRibonic acidME2793395460677C01685599680292
ribitolRibitolME279340827C00474575497217
raffinoseRaffinoseME279341439242C004921120886361
pyruvic acidPyruvic acidME2793421060C00022211003174
pseudo uridinePseudouridineME27934315047C02067813899217
prolineProlineME279344145742C00148364523142
pinitolPinitolME279345164619C03844622466260
pimelic acidPimelic acidME279346385C02656523205155
phosphatePhosphoric acidME2793471004C00009345365314
phenylethylaminePhenylethylamineME2793481001C05332510327174
phenylalaninePhenylalanineME2793496140C00079537804218
phenolPhenolME279350996C00146218927151
pelargonic acidPelargonic acidME2793518158C01601399229117
pantothenic acidPantothenic acidME2793526613C12276690887291
palmitoleic acidPalmitoleic acidME279353445638C08362706508311
palmitic acidPalmitic acidME279354985C00249713809313
oxoprolineOxoprolineME2793557405C01879485935156
oxalic acidOxalic acidME279356971C00209260513190
ornithineOrnithineME2793576262C00077527113142
oleic acidOleic acidME279358445639C00712779120339
octadecanolStearyl alcoholME2793598221-755409327
myristic acidMyristic acidME27936011005C06424634414285
myo-inositolMyo-inositolME279361892C00137730022305
methionine sulfoxideMethionine sulfoxideME279362158980C02989637588128
methionineMethionineME2793636137C00073483560176
mannoseMannoseME27936418950C00159645856205
maltoseMaltoseME279365439186C00208946601204
malic acidMalic acidME279366525C00711463180233
lyxoseLyxoseME279367439240C00476541086217
lyxitolL-ArabitolME279368439255C00532573587217
lysineLysineME2793695962C00047663483156
linoleic acidLinoleic acidME2793705280450C01595777414150
leucineLeucineME2793716106C00123346101158
lauric acidLauric acidME2793723893C02679547906117
lactic acidLactic acidME279373612C01432217657191
lactamideLactamideME27937494220-265698232
isothreonic acidD-Threonic acidME279375151152C00639489385292
isoleucineIsoleucineME2793766306C00407359251158
isohexonic acid-ME279377604-698302333
isocitric acidIsocitric acidME2793785318532C00451617338245
inosineInosineME2793796021C00294897434230
indoxyl sulfateIndoxyl sulfateME27938010258-577333277
indole-3-propionic acid3-Indolepropionic acidME2793813744-732249202
indole-3-lactateIndolelactic acidME27938292904C02043764586202
indole-3-acetateIndoleacetic acidME279383802C00954684929202
hydroxylamineHydroxylamineME279384787C00192255241146
hydroxycarbamate NISTHydroxycarbamic acidME27938516639161-325318278
hydrocinnamic acidHydrocinnamic acidME279386107C05629434422104
hippuric acidHippuric acidME279387464C01586636836206
hexuronic acidHexuronic acidME279388152867-667373160
hexoseHexoseME279389206C00738642640319
hexitolSorbitolME279390453C00392704741217
hexadecaneHexadecaneME27939111006-52596485
heptadecanoic acidMargaric acidME27939210465-751309117
glycolic acidGlycolic acidME279393757C00160227636177
glycineGlycineME279394750C00037368707248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME279395754C03189590747357
glycerol-3-galactosideGalactosylglycerolME27939616048618C05401805227204
glycerolGlycerolME279397753C00116344466205
glyceric acidGlyceric acidME279398439194C00258377495189
glutamineGlutamineME2793995961C00064600000156
glutamic acidGlutamic acidME27940033032C00025527086246
glucose-1-phosphateGlucose 1-phosphateME27940165533C00103594647217
glucoseGlucoseME27940264689C00221675179217
fumaric acidFumaric acidME279403444972C00122390016245
fucoseFucoseME279404439650C02095578299160
fructoseFructoseME279405439709C02336639442307
ethanolamineEthanolamineME279406700C00189344719174
erythritolErythritolME279407222285C00503471922217
dodecanolDodecanolME2794088193C02277507619243
D-erythro-sphingosineSphingosineME2794095280335C00319859500204
cystineCystineME279410595C01420804619218
cysteineCysteineME2794115862C00097500158220
creatinineCreatinineME279412588C00791502599115
conduritol-beta-epoxideConduritol epoxideME2794139989541-675635318
citrullineCitrullineME2794149750C00327621404157
citric acidCitric acidME279415311C00158617342273
catecholPyrocatecholME279416289C00090376695254
caprylic acidCaprylic acidME279417379C06423343457201
capric acidCapric acidME2794182969C01571452386229
beta-alaninebeta-AlanineME279419239C00099435564248
benzoic acidBenzoic acidME279420243C00180339067179
aspartic acidAspartic acidME2794215960C00049480387232
asparagineAsparagineME2794226267C00152553078188
arachidic acidArachidic acidME27942310467C06425856421117
aminomalonateAminomalonic acidME279424100714C00872455754218
alpha-ketoglutarate2-Oxoglutaric acidME27942551C00026507392198
alpha-aminoadipic acidalpha-Aminoadipic acidME27942692136C00956573295260
allantoic acidAllantoic acidME279427203C00499723539259
alanineAlanineME2794285950C00041243971116
adenosineAdenosineME27942960961C00212918039236
6-deoxyglucitol6-DeoxyglucitolME279430151266-599776117
5-methoxytryptamine5-MethoxytryptamineME2794311833C05659864466174
4-hydroxybutyric acid4-Hydroxybutyric acidME27943210413C00989325027233
3-hydroxypropionic acidHydroxypropionic acidME27943368152C01013269265177
3-hydroxybutyric acid3-Hydroxybutyric acidME27943492135C01089278829191
3-aminoisobutyric acid3-Aminoisobutanoic acidME27943564956C05145452655248
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME27943616069996C06474588886231
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME27943791C11457583925192
2-ketoisocaproic acidKetoleucineME27943870C0023331076189
2-hydroxyglutaric acid2-Hydroxyglutaric acidME27943943C02630506306247
2-hydroxybutanoic acid2-Hydroxybutyric acidME279440440864C05984258161131
2-deoxytetronic acid3,4-Dihydroxybutyric acidME279441150929-433456189
2-aminobutyric acid2-Aminobutyric acidME2794426657C02721285825130
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+NH4]+-ME279460--2.99362.3265
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_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 20:4; [M]+CAR 20:4ME279471--1.19448.342
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(8:1) [M+H]+CAR 8:1ME279476--0.44286.2013
Acetyl-DL-carnitineCAR 2:0ME279477--0.38204.123
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 24:1; [M+NH4]+CE 24:1ME279482--11.89752.728
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(22:6) [M+NH4]+CE 22:6ME279491--9.72714.6184
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 16:0LPC 16:0ME279507--1.37518.3218
LPC 17:0LPC 17:0ME279508--1.71532.3378
LPC 18:0LPC 18:0ME279509--2.1546.353
LPC 19:0; [M+H]+LPC 19:0ME279510--2.55538.3873
LPC 20:1; [M+H]+LPC 20:1ME279511--2.24550.387
LPC 20:3; [M+H]+LPC 20:3ME279512--1.33546.3552
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 24:0LPC 24:0ME279517--3.97608.465
LPC(14:0) [M+H]+LPC 14:0ME279518--0.89468.3085
LPC(15:0) [M+H]+LPC 15:0ME279519--1.1482.3241
LPC(16:1) [M+H]+LPC 16:1ME279520--0.99494.3241
LPC(17:1) [M+H]+LPC 17:1ME279521--1.22508.3401
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(20:0) [M+H]+LPC 20:0ME279525--2.94552.4021
LPC(20:2) [M+H]+LPC 20:2ME279526--1.66548.3708
LPC(20:4) [M+H]+LPC 20:4ME279527--1.1544.3398
LPC(22:6) [M+H]+LPC 22:6ME279528--1.06568.3404
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-(Octadecanoyl)sphing-4-enine-1-phosphocholineSM 18:1;O2/18:0ME279538--5.25753.588
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
PC (16:0/o-20:5)PC 32:1ME279541--5.06766.5741
PC 16:0/18:1PC 16:0/18:1ME279542--5.71768.5888
PC 16:0-14:0PC 14:0_16:0ME279543--4.72706.5384
PC 16:0-22:6PC 16:0_22:6ME279544--4.69806.5697
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 35:3; PC 17:1-18:2; [M+H]+PC 17:1_18:2ME279547--4.95770.562
PC 36:0; PC 18:0-18:0; [M+H]+PC 18:0/18:0ME279548--6.59790.632
PC 36:2e; PC 18:1e/18:1; [M+H]+PC O-18:1/18:1ME279549--5.88772.622
PC 36:3e; PC 16:0e/20:3; [M+H]+PC O-16:0/20:3ME279550--5.31770.6056
PC 36:4; PC 18:2-18:2; [M+H]+PC 18:2/18:2ME279551--4.55782.5693
PC 36:4e; PC 16:0e/20:4; [M+Na]+PC O-16:0/20:4ME279552--5.19790.573
PC 36:5; PC 16:0-20:5; [M+H]+PC 16:0_20:5ME279553--4.46780.5537
PC 36:6; PC 18:3-18:3; [M+H]+PC 18:3/18:3ME279554--4.15778.5384
PC 38:4; PC 18:0-20:4; [M+H]+PC 18:0_20:4ME279555--5.41810.6025
PC 38:5e; PC 18:1e/20:4; [M+H]+PC O-18:1/20:4ME279556--5.69794.6044
PC 38:6; PC 16:0-22:6; [M+H]+PC 16:0_22:6ME279557--5.08806.5677
PC 38:6e; PC 16:0e/22:6; [M+H]+PC O-16:0/22:6ME279558--5.13792.5908
PC 39:5; PC 19:0-20:5; [M+H]+PC 19:0_20:5ME279559--5.84822.5987
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 40:7e; PC 18:1e/22:6; [M+H]+PC O-18:1/22:6ME279562--5.5818.6056
PC 40:8; PC 20:4-20:4; [M+H]+PC 20:4/20:4ME279563--4.35830.5697
PC 40:8e; PC 18:2e/22:6; [M+H]+PC O-18:2/22:6ME279564--5.68816.588
PC 42:10; PC 20:4-22:6; [M+H]+PC 20:4_22:6ME279565--4.24854.5694
PC(16:0/16:0)PC 16:0/16:0ME279566--5.35756.5514
PC(16:0/18:2)PC 16:0/18:2ME279567--4.98780.5519
PC(16:0/9:0(COOH))-ME279568--1.87666.4351
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(35:4) [M+H]+PC 35:4ME279580--4.55768.5538
PC(36:1) [M+H]+PC 36:1ME279581--6788.6164
PC(36:2) [M+H]+PC 36:2ME279582--5.52786.6007
PC(36:3) A [M+H]+PC 36:3ME279583--4.98784.5851
PC(36:4) A [M+H]+PC 36:4ME279584--4.82782.5694
PC(36:6) [M+H]+PC 36:6ME279585--4.45778.5381
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(38:5) A [M+H]+PC 38:5ME279591--4.88808.5851
PC(38:7) [M+H]+PC 38:7ME279592--4.56804.5538
PC(39:6) [M+H]+PC 39:6ME279593--4.96820.5851
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(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 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 38:6; 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(34:2)[M+H]+PE 34:2ME279624--5.06716.5225
PE(36:2)[M+H]+PE 36:2ME279625--5.68744.5538
PE(38:4)[M+H]+PE 38:4ME279626--5.58768.5538
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 d40:3; SM d15:3/25:0; [M+H]+SM 15:3;O2/25:0*ME279629--5.37783.6334
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
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(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
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 56:1; TAG 16:0-18:1-22:0; [M+NH4]+TG 16:0_18:1_22:0ME279728--11.77934.8797
TAG 56:10; TAG 18:2-18:3-20:5; [M+Na]+TG 18:2_18:3_20:5ME279729--8.77921.6944
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 58:1; TAG 18:0-18:1-22:0; [M+NH4]+TG 18:0_18:1_22:0ME279747--11.96962.9113
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 58:2; 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 60:1; TAG 18:1-20:0-22:0; [M+NH4]+TG 18:1_20:0_22:0ME279763--12.09990.9423
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 60:2; 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
1_FA iSTD (16:0)-d3 [M-H]--ME279773--2.2647174258.251524
1_CUDA iSTD [M-H]--ME279774--0.53229769339.265307
1_MAG (17:0/0:0/0:0) iSTD [M+HAc-H]--ME279775--2.9641815403.3066
1_LPE (17:1) iSTD [M-H]--ME279776--1.2263463464.278224
1_LPC (17:0) iSTD [M+HAc-H]--ME279777--1.7078128568.362
1_Ceramide (d18:1/17:0) iSTD [M+HAc-H]--ME279778--5.8825794610.5416
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
FA (8:0)Caprylic acidME279783--0.53108092143.10776
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 (15:1)Pentadecenoic acidME279789--1.380803239.201624
FA (15:0)Pentadecylic acidME279790--1.8560937241.217303
FA (16:1)Hexadecenoic acidME279791--1.6576737253.217303
FA (17:0)Margaric acidME279792--2.9709452269.248614
FA (18:3)Octadecatrienoic acidME279793--1.4488762277.217303
FA (18:2)Octadecadienoic acidME279794--1.8727537279.232958
FA (18:1)Octadecenoic acidME279795--2.4922816281.248614
12(13)-EpOME12(13)-EpOMEME279796--0.72037624295.2279
FA (20:5)Eicosapentaenoic acidME279797--1.3675196301.217303
FA (20:4)Arachidonic acidME279798--1.7635968303.232958
FA (20:3)Eicosatrienoic acidME279799--2.1650833305.248614
FA (20:2)Eicosadienoic acidME279800--2.7328732307.264239
FA (20:1)Eicosenoic acidME279801--3.239735309.279894
FA (20:0)Arachidic acidME279802--3.6926711311.29555
5(S)-HETE5S-HETEME279803--0.84532802319.2279
FA (22:6)DHAME279804--1.559127327.232958
FA (22:2)Docosadienoic acidME279805--3.3420671335.29555
FA (22:1)Docosenoic acidME279806--3.7602143337.311205
FA (22:0)Behenic acidME279807--4.3289943339.326861
FA (24:1)Tetracosenoic acidME279808--4.3504041365.342516
FA (24:0)Lignoceric acidME279809--5.0119246367.358141
FAHFA 24:0; FAHFA 16:0/8:0; [M-H]--ME279810--3.1905412397.3322
LPE P-16:0LPE P-16:0ME279811--1.5838022436.28
LPE (16:0)LPE 16:0ME279812--1.3974305452.278224
LPE (18:2)LPE 18:2ME279813--1.1335461476.278224
LPE 18:1LPE 18:1ME279814--1.5414537478.2939
LPC 18:0LPC 18:0ME279815--1.3584559480.31
LPE (20:4)LPE 20:4ME279816--1.1255899500.278224
LPE (22:6)LPE 22:6ME279817--1.0679171524.278224
LPE 22:5LPE 22:5ME279818--1.3636669526.2939
LPC (14:0)LPC 14:0ME279819--0.89786784526.3151
LPC 15:0LPC 15:0ME279820--1.1020123540.3311
LPC (16:1)LPC 16:1ME279821--0.99245817552.3307
LPC (16:0)LPC 16:0ME279822--1.3818806554.3464
LPC 18:2LPC 18:2ME279823--1.1302166564.3309
LPC 18:1LPC 18:1ME279824--1.5258946566.3466
LPC 17:0LPC 17:0ME279825--1.7078128568.3627
LPC 18:3LPC 18:3ME279826--0.93048589576.3313
LPC (18:2)LPC 18:2ME279827--1.1497435578.3464
LPC (18:1)LPC 18:1ME279828--1.5155827580.362
LPC (18:0)LPC 18:0ME279829--2.0983872582.3777
Cer-NS d34:1; Cer-NS d18:1/16:0; [M+FA-H]-Cer 18:1;O2/16:0ME279830--5.5138775582.5107
LPI 18:2LPI 18:2ME279831--0.73135662595.2901
LPC 19:0LPC 19:0ME279832--2.5361456596.394
Cer-NS d35:1; Cer-NS d18:1/17:0; [M+FA-H]-Cer 18:1;O2/17:0ME279833--5.8309823596.5262
LPI 18:0LPI 18:0ME279834--1.3792512599.3209
LPC 20:5LPC 20:5ME279835--0.87335764600.331
LPC 20:4LPC 20:4ME279836--1.1096004602.347
LPC (20:3)LPC 20:3ME279837--1.3297443604.362
LPC (20:2)LPC 20:2ME279838--1.6746622606.3777
LPC 20:1LPC 20:1ME279839--2.2522072608.3944
LPC 20:0LPC 20:0ME279840--2.9659956610.4097
LPC 22:6LPC 22:6ME279841--1.0615795612.331
LPI 20:4LPI 20:4ME279842--0.72964419619.2897
Cer-NS d36:1; Cer-NS d18:1/18:0; [M+Hac-H]-Cer 18:1;O2/18:0ME279843--6.1727523624.5588
LPC (22:5)LPC 22:5ME279844--1.1999652628.362
LPC 22:1LPC 22:1ME279845--3.0453111636.4249
LPC 22:0LPC 22:0ME279846--3.4789449638.4408
LPC 24:0LPC 24:0ME279847--3.9955502666.4726
Cer(d18:1(4E)/22:0)Cer 18:1;O2(4E)/22:0*ME279848--7.5155342666.6042
Cer-NS d40:2; Cer-NS d18:2/22:0; [M+Hac-H]-Cer 18:2;O2/22:0ME279849--6.9670681678.6048
Cer(d18:1(4E)/23:0)Cer 18:1;O2(4E)/23:0*ME279850--7.840404680.6199
Cer-NS d41:2; Cer-NS d18:2/23:0; [M+Hac-H]-Cer 18:2;O2/23:0ME279851--7.2727183692.6207
PC 25:0; PC 12:0-13:0; [M+Hac-H]-PC 12:0_13:0ME279852--3.4661982694.467
Cer-NS d42:1; Cer-NS d18:1/24:0; [M+FA-H]-Cer 18:1;O2/24:0ME279853--8.1313377694.6364
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-NS d42:3; Cer-NS d18:2/24:1; [M+Hac-H]-Cer 18:2;O2/24:1ME279856--6.9228557704.6207
Cer(d18:2(4E,14Z)/24:0)Cer 18:2;O2(4E,14Z)/24:0*ME279857--7.6318012706.6355
Cer-NS d42:2; Cer-NS d18:1/24:1; [M+Hac-H]-Cer 18:1;O2/24:1ME279858--7.4878019706.6358
PE 34:3; PE 16:0-18:3; [M-H]-PE 16:0_18:3ME279859--4.7634295712.4929
PE 34:1; PE 16:0-18:1; [M-H]-PE 16:0_18:1ME279860--5.5643394716.5249
PE 36:6e; PE 16:1e/20:5; [M-H]-PE O-16:1/20:5ME279861--4.8483764720.4978
Cer-NS d43:1; Cer-NS d19:1/24:0; [M+Hac-H]-Cer 19:1;O2/24:0ME279862--8.3277536722.6684
PE 36:4e; PE 18:2e/18:2; [M-H]-PE O-18:2/18:2ME279863--5.4125648724.5303
Cer-NP t42:0; Cer-NP t18:0/24:0; [M+Hac-H]-Cer 18:0;O3/24:0ME279864--7.7892461726.6632
PE 36:2e; PE 18:1e/18:1; [M-H]-PE O-18:1/18:1ME279865--6.4880674728.5612
SM d32:2; SM d18:2/14:0; [M+Hac-H]-SM 18:2;O2/14:0ME279866--3.6601266731.5357
HexCer-AP t34:0; HexCer-AP t18:0/16:0; [M-H]-HexCer 18:0;O3/16:0ME279867--4.4908275732.5639
SM d32:1; SM d16:1/16:0; [M+Hac-H]-SM 16:1;O2/16:0ME279868--4.0916854733.5516
PE 36:4; PE 16:0-20:4; [M-H]-PE 16:0_20:4ME279869--4.9842494738.5091
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 36:2; PE 18:0-18:2; [M-H]-PE 18:0_18:2ME279872--5.6858648742.5407
PE 36:1; PE 18:0-18:1; [M-H]-PE 18:0_18:1ME279873--6.2064143744.5568
HexCer-NS d34:1; HexCer-NS d18:1/16:0; [M+FA-H]-HexCer 18:1;O2/16:0ME279874--4.8822684744.5638
PE 38:7e; PE 16:1e/22:6; [M-H]-PE O-16:1/22:6ME279875--5.0764383746.51
SM d33:1; SM d17:1/16:0; [M+Hac-H]-SM 17:1;O2/16:0ME279876--4.3594701747.5667
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
PC 30:0; PC 14:0-16:0; [M+FA-H]-PC 14:0_16:0ME279879--4.7363903750.5304
PE 38:4e; PE 18:0e/20:4; [M-H]-PE O-18:0/20:4ME279880--6.0033871752.5606
HexCer-NS d34:1; HexCer-NS d18:1/16:0; [M+Hac-H]-HexCer 18:1;O2/16:0ME279881--4.9037113758.5789
SM d34:2; SM d18:2/16:0; [M+Hac-H]-SM 18:2;O2/16:0ME279882--4.175337759.5668
SM (d34:1)SM 34:1;O2ME279883--4.6316112761.5815
PE 38:6; PE 16:0-22:6; [M-H]-PE 16:0_22:6ME279884--4.8278417762.5085
PE 38:5; PE 18:1-20:4; [M-H]-PE 18:1_20:4ME279885--5.0225542764.5249
PE(18:1e/18-HETE)PE 38:4ME279886--4.6704319766.5394
PE 38:4; PE 18:0-20:4; [M-H]-PE 18:0_20:4ME279887--5.5841473766.5403
PE 40:8e; PE 18:2e/22:6; [M-H]-PE O-18:2/22:6ME279888--5.1893174772.528624
SM d35:1; SM d18:1/17:0; [M+Hac-H]-SM 18:1;O2/17:0ME279889--4.9624833775.5987
PE 40:6e; PE 18:0e/22:6; [M-H]-PE O-18:0/22:6ME279890--5.8098622776.5613
PC 32:1e; PC 16:1e/16:0; [M+Hac-H]-PC O-16:1/16:0ME279891--5.6329586776.5828
PG 36:0; PG 17:0-19:0; [M-H]-PG 17:0_19:0ME279892--5.51706777.563
PE 40:5e; PE 18:0e/22:5; [M-H]-PE O-18:0/22:5ME279893--6.0020003778.576
PC 32:0e; PC 16:0e/16:0; [M+Hac-H]-PC O-16:0/16:0ME279894--5.7225557778.5969
HexCer-NS d36:1; HexCer-NS d18:1/18:0; [M+Hac-H]-HexCer 18:1;O2/18:0ME279895--5.5475744786.6105
SM (d36:2)SM 36:2;O2ME279896--4.7505872787.5971
PE 40:7; PE 18:1-22:6; [M-H]-PE 18:1_22:6ME279897--4.8971498788.5248
PC 32:2; PC 14:0-18:2; [M+Hac-H]-PC 14:0_18:2ME279898--4.3701547788.5456
PE 40:6; PE 18:0-22:6; [M-H]-PE 18:0_22:6ME279899--5.4274555790.5405
PC (32:1)PC 32:1ME279900--4.8390754790.5604
PE 40:5; PE 18:0-22:5; [M-H]-PE 18:0_22:5ME279901--5.6128418792.5558
PC 34:3e; PC 16:1e/18:2; [M+Hac-H]-PC O-16:1/18:2ME279902--5.2198113800.5821
PC 33:2; PC 15:0-18:2; [M+Hac-H]-PC 15:0_18:2ME279903--4.6785084802.5604
PC (33:2)PC 33:2ME279904--4.9479638802.5604
PC 34:2e; PC 16:1e/18:1; [M+Hac-H]-PC O-16:1/18:1ME279905--5.6785361802.5968
PC 34:2e; PC 16:0e/18:2; [M+Hac-H]-PC O-16:0/18:2ME279906--5.3024148802.598
SM d38:1; SM d16:1/22:0; [M+FA-H]-SM 16:1;O2/22:0ME279907--5.9481654803.6284
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
PI 32:1; PI 16:0-16:1; [M-H]-PI 16:0_16:1ME279910--3.9001491807.5045
PI 32:0; PI 16:0-16:0; [M-H]-PI 16:0/16:0ME279911--4.2837779809.5194
PC 34:4; PC 14:0-20:4; [M+Hac-H]-PC 14:0_20:4ME279912--4.3068534812.5474
PC (34:3)PC 34:3ME279913--4.6422687814.5604
PC 34:3; PC 16:1-18:2; [M+Hac-H]-PC 16:1_18:2ME279914--4.4702859814.5615
SM d38:2; SM d18:2/20:0; [M+Hac-H]-SM 18:2;O2/20:0ME279915--5.3786937815.6298
PC 36:5e; PC 16:1e/20:4; [M+Hac-H]-PC O-16:1/20:4ME279916--5.1058725824.583
16:0-20:4 PCPC 16:0_20:4ME279917--4.8678018826.5604
PC 36:4e; PC 16:0e/20:4; [M+Hac-H]-PC O-16:0/20:4ME279918--5.26688826.5968
PC 36:3; PC 16:0-20:3; [M+FA-H]-PC 16:0_20:3ME279919--5.112173828.5772
PC 36:3e; PC 18:1e/18:2; [M+Hac-H]-PC O-18:1/18:2ME279920--5.8522906828.6136
SM d40:2; SM d14:0/26:2; [M+FA-H]-SM 14:0;O2/26:2ME279921--6.0457439829.6441
PC 36:2e; PC 18:0e/18:2; [M+Hac-H]-PC O-18:0/18:2ME279922--5.954442830.6272
SM d40:1; SM d18:1/22:0; [M+FA-H]-SM 18:1;O2/22:0ME279923--6.5978277831.6597
SM d39:1; SM d16:1/23:0; [M+Hac-H]-SM 16:1;O2/23:0ME279924--6.2829373831.6611
PC(16:0/13-HODE)PC 35:1ME279925--3.6727302832.5718
PC 35:1; PC 17:0-18:1; [M+Hac-H]-PC 17:0_18:1ME279926--5.7261909832.6085
PI 34:2; PI 16:0-18:2; [M-H]-PI 16:0_18:2ME279927--4.0099706833.5194
PI 34:1; PI 16:0-18:1; [M-H]-PI 16:0_18:1ME279928--4.3450568835.5358
PC 36:5; PC 16:0-20:5; [M+Hac-H]-PC 16:0_20:5ME279929--4.4966091838.5609
PC 36:4; PC 16:0-20:4; [M+Hac-H]-PC 16:0_20:4ME279930--4.8578654840.5762
HexCer-NS d40:2; HexCer-NS d18:1/22:1; [M+Hac-H]-HexCer 18:1;O2/22:1ME279931--6.2230065840.6583
SM d40:3; SM d14:1/26:2; [M+Hac-H]-SM 14:1;O2/26:2ME279932--5.3872264841.6449
PC (36:3)PC 36:3ME279933--5.1274722842.5917
PC 36:3; PC 18:1-18:2; [M+Hac-H]-PC 18:1_18:2ME279934--5.0304623842.5931
SM d40:2; SM d18:2/22:0; [M+Hac-H]-SM 18:2;O2/22:0ME279935--6.016981843.6614
PC (36:2)PC 36:2ME279936--5.5921287844.6074
PC 36:2; PC 18:0-18:2; [M+Hac-H]-PC 18:0_18:2ME279937--5.5622798844.6079
SM d41:1; SM d18:1/23:0; [M+FA-H]-SM 18:1;O2/23:0ME279938--6.9299359845.6754
PC (36:1)PC 36:1ME279939--6.0919847846.623
PI 35:2; PI 17:0-18:2; [M-H]-PI 17:0_18:2ME279940--4.2453052847.5347
PC 36:0; PC 16:0-20:0; [M+Hac-H]-PC 16:0_20:0ME279941--6.1477095848.6387
PC 38:6; PC 16:0-22:6; [M+FA-H]-PC 16:0_22:6ME279942--4.7259511850.5614
PC 38:6e; PC 18:2e/20:4; [M+Hac-H]-PC O-18:2/20:4ME279943--5.1899197850.5969
PC 38:5e; PC 18:1e/20:4; [M+Hac-H]-PC O-18:1/20:4ME279944--5.2598136852.6132
PC 37:4; PC 17:0-20:4; [M+Hac-H]-PC 17:0_20:4ME279945--5.1760998854.5921
PC 38:4; PC 18:0-20:4; [M+FA-H]-PC 18:0_20:4ME279946--5.4788374854.5923
PC 38:4e; PC 18:0e/20:4; [M+Hac-H]-PC O-18:0/20:4ME279947--5.8491032854.6282
PC(16:0/12-HETE)PI 36:4ME279948--3.7860086856.5719
GlcCer(d18:1(4E)/24:0)GlcCer 18:1;O2/24:0ME279949--7.4882297856.6884
PI 36:4; PI 16:0-20:4; [M-H]-PI 16:0_20:4ME279950--3.9543356857.5193
SM d41:2; SM d18:2/23:0; [M+Hac-H]-SM 18:2;O2/23:0ME279951--6.3623954857.6766
PC 37:2; PC 19:0-18:2; [M+Hac-H]-PC 18:2_19:0ME279952--5.8924989858.6234
PI 36:3; PI 18:1-18:2; [M-H]-PI 18:1_18:2ME279953--4.0600608859.5351
SM d42:1; SM d18:1/24:0; [M+FA-H]-SM 18:1;O2/24:0ME279954--7.2499505859.6923
PC 37:1; PC 19:0-18:1; [M+Hac-H]-PC 18:1_19:0ME279955--6.3690924860.6399
PI 36:2; PI 18:0-18:2; [M-H]-PI 18:0_18:2ME279956--4.4729801861.5513
PC 38:7; PC 16:1-22:6; [M+Hac-H]-PC 16:1_22:6ME279957--4.2424894862.5615
PI 36:1; PI 18:0-18:1; [M-H]-PI 18:0_18:1ME279958--4.9096486863.5664
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
SM d42:5; SM d14:3/28:2; [M+Hac-H]-SM 14:3;O2/28:2*ME279961--5.1477318865.6457
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
HexCer-NS d42:3; HexCer-NS d18:1/24:2; [M+Hac-H]-HexCer 18:1;O2/24:2ME279964--6.2775883866.6733
PC (38:4)PC 38:4ME279965--5.5001289868.6074
PC 38:4; PC 16:0-22:4; [M+Hac-H]-PC 16:0_22:4ME279966--5.4598833868.6085
HexCer-NS d42:2; HexCer-NS d18:1/24:1; [M+Hac-H]-HexCer 18:1;O2/24:1ME279967--6.8313492868.6895
SM d42:3; SM d18:2/24:1; [M+Hac-H]-SM 18:2;O2/24:1ME279968--6.0723139869.6754
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
PI 37:4; PI 17:0-20:4; [M-H]-PI 17:0_20:4ME279971--4.1809547871.5354
SM d42:2; SM d18:2/24:0; [M+Hac-H]-SM 18:2;O2/24:0ME279972--6.6961683871.691
SM d42:2; SM d18:1/24:1; [M+Hac-H]-SM 18:1;O2/24:1ME279973--6.5736212871.6925
PC 38:2; PC 20:0-18:2; [M+Hac-H]-PC 18:2_20:0ME279974--6.2187409872.6405
PC 38:1; PC 20:0-18:1; [M+Hac-H]-PC 18:1_20:0ME279975--6.6963533874.6551
PI 37:2; PI 19:0-18:2; [M-H]-PI 18:2_19:0ME279976--4.7462205875.5665
PC 40:6; PC 18:0-22:6; [M+FA-H]-PC 18:0_22:6ME279977--5.3163064878.5928
PI 38:6; PI 16:0-22:6; [M-H]-PI 16:0_22:6ME279978--3.8798699881.5199
PC 39:4; PC 19:0-20:4; [M+Hac-H]-PC 19:0_20:4ME279979--5.8112154882.6239
PI 38:5; PI 18:1-20:4; [M-H]-PI 18:1_20:4ME279980--4.0015798883.5355
PI 38:4; PI 18:0-20:4; [M-H]-PI 18:0_20:4ME279981--4.4158852885.5512
PI 38:3; PI 18:0-20:3; [M-H]-PI 18:0_20:3ME279982--4.6409264887.5665
PC 40:8; PC 18:2-22:6; [M+Hac-H]-PC 18:2_22:6ME279983--4.3767156888.5773
PC 40:7; PC 18:1-22:6; [M+Hac-H]-PC 18:1_22:6ME279984--4.7871569890.5924
PC (40:6)PC 40:6ME279985--5.298522892.6074
PC 40:5; PC 18:0-22:5; [M+Hac-H]-PC 18:0_22:5ME279986--5.7115192894.6232
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
PI 39:4; PI 19:0-20:4; [M-H]-PI 19:0_20:4ME279989--4.7329307899.5675
PI(18:0/20-HETE)PI 40:6ME279990--3.6516362901.5463
PI 40:6; PI 18:0-22:6; [M-H]-PI 18:0_22:6ME279991--4.2957707909.5512
PI 40:5; PI 18:0-22:5; [M-H]-PI 18:0_22:5ME279992--4.4465297911.5667
PC 42:10; PC 20:4-22:6; [M+Hac-H]-PC 20:4_22:6ME279993--4.2598513912.5779
PI 40:4; PI 20:0-20:4; [M-H]-PI 20:0_20:4ME279994--4.7625986913.5828
PC 42:7; PC 20:1-22:6; [M+Hac-H]-PC 20:1_22:6ME279995--5.3396949918.6239


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_Val-Tyr-Val iSTDVal-Tyr-ValME280013--7380.218
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME280014--7.2262.165
(R)-ButyrylcarnitineCAR 4:0ME280015--5.8232.154
(S)-Cotinine N-oxideCotinine N-oxideME280016--3.9193.097
1-Methyl-L-histidine1-MethylhistidineME280017--9.1170.092
2-IndolinoneIndolin-2-oneME280018--1.4134.06
3-HydroxybutyrylcarnitineCAR 4:0;3OHME280019--7.6248.149
4-Hydroxynonenal4-HydroxynonenalME280020--1.1157.122
4-Pyridoxic acid4-Pyridoxic acidME280021--2.7184.061
5-Hydroxytryptophol5-HydroxytryptopholME280022--5.9160.076
5-Methylcytosine5-MethylcytosineME280023--6.6126.066
7-Keto-3a,12-a-dihydroxycholanic acid7-Ketodeoxycholic acidME280024--1.4353.247
Ala-GlnAla-GlnME280025--9.1218.113
Arg-AlaArg-AlaME280026--9.7246.156
Arg-AsnArg-AsnME280027--9.9289.161
Arg-GlnArg-GlnME280028--9.9303.177
Arg-GlyArg-GlyME280029--9.9232.14
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
Chenodeoxycholic acidChenodeoxycholic acidME280036--1.5357.278
Cholic acidCholic acidME280037--2.6355.263
CorticosteroneCorticosteroneME280038--1.1347.222
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-LysGlu-LysME280043--9.9276.155
Glu-PheGlu-PheME280044--8.2295.129
Glycerophosphocholinesn-Glycero-3-phosphocholineME280045--8.7258.11
Glycyl-leucineGly-LeuME280046--8.1189.124
Hexanoyl-L-carnitineCAR 6:0ME280047--5.1260.185
His-LeuHis-LeuME280048--8.2269.161
His-ValHis-ValME280049--8.6255.145
HydrocortisoneCortisolME280050--2.6363.217
Isovaleryl-L-carnitineCAR 4:0;3MeME280051--5.4246.17
Lauroyl-L-carnitineCAR 12:0ME280052--3.6344.279
L-Cysteine S-sulfateCysteine-S-sulfateME280053--8.1201.984
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME280054--10.2427.095
Leu-AlaLeu-AlaME280055--5203.139
Leu-ArgLeu-ArgME280056--8.9288.203
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
Lys-ValLys-ValME280062--9.4246.181
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME280063--8.2217.129
N.alpha.-Acetyl-L-lysineN(2)-AcetyllysineME280064--8.2189.123
N.alpha.-Methyl-L-lysineN(2)-Methyl-lysineME280065--7.4144.102
N-Acetyl-L-carnosineN-AcetylcarnosineME280066--8.4269.124
N-Acetyl-L-glutamineN-AcetylglutamineME280067--8.2189.087
N-alpha-Acetyl-L-ornithineN-AcetylornithineME280068--8.3175.107
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME280069--9.3189.16
N-FormylmethionineN-FormylmethionineME280070--3.9178.054
NG,NG-Dimethyl-L-arginineDimethylarginineME280071--9203.15
Nicotinamide riboside cationNicotinamide ribosideME280072--7.5255.097
O-Acetyl-L-homoserineO-Acetyl-homoserineME280073--7.6162.076
Phe-LysPhe-LysME280074--8.9294.181
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME280075--6265.118
Pro-GlnPro-GlnME280076--8.8244.129
PyridoxalPyridoxalME280077--2.2150.055
Ser-GluSer-GluME280078--9.7235.092
Ser-HisSer-HisME280079--9.8243.109
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
Tauroursodeoxycholic acidTauroursodeoxycholic acidME280087--5.5464.282
Thr-AlaThr-AlaME280088--8.6191.102
Thr-ArgThr-ArgME280089--9.7276.166
Thr-AsnThr-AsnME280090--9.5234.108
Thr-LysThr-LysME280091--9.8248.16
trans-3'-Hydroxycotininetrans-3-HydroxycotinineME280092--2193.097
TryptamineTryptamineME280093--6.9144.081
Tyr-ArgTyr-ArgME280094--9.3338.182
Tyr-LysTyr-LysME280095--9.4310.176
Val-GlnVal-GlnME280096--8.5246.145
Val-HisVal-HisME280097--9.2255.145
Val-PheVal-PheME280098--6.7265.154
XanthineXanthineME280099--5.7153.041
1-Methyladenosine1-MethyladenosineME280100--7.5282.12
1-Methylguanosine1-MethylguanosineME280101--5.8298.115
2'-DeoxyguanosineDeoxyguanosineME280102--6.4268.105
3-Guanidinopropionic acid3-Guanidinopropanoic acidME280103--8.2132.077
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME280104--1.5153.055
3-Hydroxyprolinecis-3-HydroxyprolineME280105--8.2132.066
3-Indoleacetic acidIndoleacetic acidME280106--1.3176.071
5-Aminovaleric acid5-Aminopentanoic acidME280107--7.2118.087
5-Hydroxytryptophan5-Hydroxy-tryptophanME280108--7.8221.093
5-Methoxy-3-indoleacetic acid5-Methoxyindoleacetic acidME280109--1.3206.082
Ala-IleAla-IleME280110--7.8203.14
BetaineBetaineME280111--7.2118.087
CortisoneCortisoneME280112--1.3361.202
CreatinineCreatinineME280113--4.9114.067
CytosineCytosineME280114--5.9112.051
GalactosamineGalactosamineME280115--8.4180.087
Gly-Gly-GlyGly-Gly-GlyME280116--9.3190.083
Gly-ProGly-ProME280117--8.6173.093
InosineInosineME280118--6.3269.089
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME280119--5.6312.131
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME280120--1.4219.113
N-AcetylcytidineN4-AcetylcytidineME280121--5.1286.104
N-AcetylglucosamineN-Acetyl-D-glucosamineME280122--7.4222.098
N-AcetylphenylalanineN-AcetylphenylalanineME280123--2.6208.097
N-Methylleucine-ME280124--6.5146.118
N-Methyltyrosine-ME280125--6.8196.097
PutrescinePutrescineME280126--9.389.108
Retinoic acidRetinoic acidME280127--1.1301.217
1-Methylnicotinamide1-Methyl nicotinamideME280128--6.3137.071
2'-DeoxycytidineDeoxycytidineME280129--5.9228.098
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
5'-Methylthioadenosine5'-MethylthioadenosineME280134--2.5298.097
6-MethyladenosineN6-MethyladenosineME280135--3.6282.12
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
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
ArginineArginineME280147--9.5175.12
AsparagineAsparagineME280148--8.8133.061
Aspartic acidAspartic acidME280149--9.3134.046
BiliverdinBiliverdinME280150--1.5583.256
BiotinBiotinME280151--2.9245.096
CaffeineCaffeineME280152--1.2195.088
CarnitineCarnitineME280153--7.8162.113
CarnosineCarnosineME280154--9.4227.115
Choline [M]+CholineME280155--5.2104.107
CitrullineCitrullineME280156--8.9176.104
CotinineCotinineME280157--1.5177.103
CreatineCreatineME280158--8.2132.077
CystathionineCystathionineME280159--9.9223.075
DL-2-Methylglutamic acidN-Methyl-glutamic acidME280160--8.5162.076
EcgonineEcgonineME280161--7.6186.113
gamma-Aminobutyric Acid (GABA)gamma-Aminobutyric acidME280162--7.9104.071
gamma-Glutamylleucinegamma-GlutamylleucineME280163--8.1261.145
gamma-Glutamylmethioninegamma-GlutamylmethionineME280164--8.6279.101
Glu-GlnGlu-GlnME280165--9.6276.12
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
Gly-valGly-ValME280171--8.1175.108
GuanosineGuanosineME280172--7.3284.099
HistamineHistamineME280173--8.3112.087
HistidineHistidineME280174--9.5156.077
HomoarginineHomoarginineME280175--9.4189.135
HypoxanthineHypoxanthineME280176--5137.046
IsoleucineIsoleucineME280177--7.3132.102
KynurenineKynurenineME280178--7209.093
LeucineLeucineME280179--7.1132.103
LysineLysineME280180--9.6147.113
MethionineMethionineME280181--7.5150.059
Methioninesulfoxide BMethionine sulfoxideME280182--8.6166.053
N,N-DimethylarginineDimethylarginineME280183--9.1203.151
N8-AcetylspermidineN8-AcetylspermidineME280184--8.9188.176
N-AcetylalanineN-AcetylalanineME280185--4.8132.066
N-Acetylglutamic acidN-Acetylglutamic acidME280186--7.8190.071
N-AcetylmethionineN-AcetylmethionineME280187--3.2192.069
N-AcetyltryptophanN-Acetyl-tryptophanME280188--2.8247.107
NicotinamideNiacinamideME280189--1.7123.056
N-MethylhistidineN-MethylhistidineME280190--9.5170.093
N-MethyllysineN(6)-MethyllysineME280191--9.4161.129
N-MethylprolineN-Methyl-prolineME280192--7.1130.087
OrnithineOrnithineME280193--9.6133.098
Pantothenic acidPantothenic acidME280194--3.5220.118
PhenylalaninePhenylalanineME280195--6.9166.087
Pipecolic acidPipecolic acidME280196--7.8130.087
ProlineProlineME280197--7.8116.071
Proline-hydroxyprolinePro-hydroxyProME280198--8.6229.119
PropionylcarnitineCAR 3:0ME280199--6.4218.139
PyridoxaminePyridoxamineME280200--8.1169.098
S-Adenosyl-homocysteineS-AdenosylhomocysteineME280201--8.9385.129
S-Adenosyl-methionineS-AdenosylmethionineME280202--9.8399.145
SerineSerineME280203--8.7106.051
TarginineTarginineME280204--9.2189.135
TaurineTaurineME280205--7.9126.022
Taurocholic acidTaurocholic acidME280206--6.3538.28
ThreonineThreonineME280207--8.3120.066
TMAOTrimethylamine N-oxideME280208--5.676.076
TryptophanTryptophanME280209--6.9205.098
TyrosineTyrosineME280210--7.7182.082
ValineValineME280211--7.2118.087


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
1_15N2-L-Arginine iSTD-ME280212--9.41175.0974
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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME280220--1.18187.133426
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
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-.gamma.-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME280313--9.3275.0884
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
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,N-DimethylarginineDimethylarginineME280324--8.8201.13515
N-.alpha.-Acetyl-L-ornithineN-AcetylornithineME280325--8.13173.0921
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-epsilon-AcetyllysineN6-AcetyllysineME280332--7.97187.108264
N-IsovalerylglycineIsovalerylglycineME280333--2.65158.081714
N-MethyllysineN(6)-MethyllysineME280334--9.2159.11336
OrnithineOrnithineME280335--9.55131.082049
Orotic acidOrotic acidME280336--7.3155.0093
Pantothenic acidPantothenic acidME280337--3.31218.1028
Phenyl glucuronidePhenyl glucuronideME280338--6.8806344269.0664
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME280339--5.86263.1032
PhenylalaninePhenylalanineME280340--6.76164.071154
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
Thromboxane B2TXB2ME2803685283137-4369
6-Ketoprostaglandin F1 alpha6-Keto-PGF1alphaME2803695280888-3369
Prostaglandin E1PGE1ME2803705280723-5353
Prostaglandin E2PGE2ME2803715280360-5351
Prostaglandin D2PGD2ME280372448457-5351
15-Deoxy-delta-12,14-Prostaglandin J215-Deoxy-delta-12,14-PGJ2ME2803735311211-10315
15-Keto-prostaglandin E215-Keto-PGE2ME2803745280719-5349
Prostaglandin F2aPGF2alphaME2803755280363-4353
Prostaglandin E3PGE3ME2803765280937-4349
9,11,15-trihydroxy-5,13,1Z-prostatrienoic acidPGF3alphaME2803775280940-4351
9,12,13-trihydroxyoctadec-10-enoic acid9,12,13-TriHOMEME2803789858729-4329
5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acidLipoxin A4ME2803795280914-5351
Resolvin D1Resolvin D1ME28038044251266-5375
9S,10R-dihydroxy-stearic acid9S,10R-Dihydroxystearic acidME280381441460-9315
12,13-dihydroxyoctadec-9-enoic acid12,13-DiHOMEME28038210236635-8313
9,10-dihydroxyoctadec-12-enoic acid9,10-DiHOMEME2803839966640-8313
15,16-dihydroxyoctadeca-9,12-dienoic acid15,16-DiHODEME28038416061068-7311
12,13-dihydroxyoctadeca-9,15-dienoic acid12,13-DiHODEME28038516061067-7311
9,10-dihydroxyoctadeca-12,15-dienoic acid9,10-DiHODEME28038616061066-7311
14,15-dihydroxyeicosa-5,8,11-trienoic acid14,15-DiHETrEME2803875283147-9337
11,12-Dihydroxyicosa-5,8,14-trienoic acid11,12-DiHETrEME2803885283146-9337
8,9-dihydroxyeicosa-5,11,14-trienoic acid8,9-DiHETrEME2803895283144-10337
5,6-dihydroxyeicosa-8,11,14-trienoic acid5,6-DiHETEME2803905283142-11337
17,18-dihydroxyeicosa-5,8,11,14-tetraenoic acid17,18-DiHETEME28039116061120-7335
14,15-dihydroxyeicosa-5,8,11,17-tetraenoic acid14,15-DiHETEME28039216061119-8335
19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid19,20-DiHDPEME28039316061148-9361
8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid8,15-DiHETEME28039453480358-7335
5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid5,15-DiHETEME2803955283158-7335
6-trans-Leukotriene B46-trans-LTB4ME2803965283128-8335
Leukotriene B4LTB4ME2803975280492-8369
Leukotriene B5LTB5ME2803985283125-7333
13-Hydroxyoctadecadienoic acid13-HODEME2803996443013-11295
9-Hydroxylinoleic acidDimorphecolic acidME2804005282944-11295
13-hydroxyoctadeca-9,11,15-trienoic acid13-HOTEME28040110469728-10293
9-hydroxyoctadeca-10,12,15-trienoic acid9-HOTEME28040253480359-10293
20-Hydroxyarachidonic acid20-HETEME280403123803-10319
15-hydroxyeicosa-5,8,11,13-tetraenoic acid15S-HETEME2804045280724-11319
12-Hydroxy-5,8,10,14-eicosatetraenoic acid12S-HETEME2804055283155-12319
8-hydroxyeicosa-5,9,11,14-tetraenoic acid8-HETEME2804065283154-12319
11-Hydroxy-arachidonic acid11-HETEME2804075312981-12319
9-hydroxyeicosa-5,7,11,14-tetraenoic acid9-HETEME28040814123398-12319
5-Hydroxy-6,8,11,14-eicosatetraenoic acid5S-HETEME2804095280733-13319
15-hydroxyeicosa-5,8,11,13,17-pentaenoic acid15-HEPEME28041016061131-10317
12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid12-HEPEME2804115283191-10317
9-Hydroxy-5,7,11,14,17-icosapentaenoic acid9-HEPEME28041216061129-11317
5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid5-HEPEME2804135283193-11317
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid17-HDoHEME2804146439179-11343
14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid14-HDoHEME28041511566378-12343
4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid4-HDoHEME28041614429109-13343
13-ketooctadeca-9,11-dienoic acid13-Oxo-ODEME2804176446027-11293
9-ketooctadeca-10,12-dienoic acid9-OxoODEME2804189839084-12293
15-ketoeicosa-5,8,11,13-tetraenoic acid15-Oxo-ETEME2804195280701-12317
5-ketoeicosa-6,8,11,14-tetraenoic acid5-Oxo-ETEME2804205283159-13317
9,10-Epoxystearic acid9,10-Epoxystearic acidME28042115868-14297
trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid9-oxo-12(13)-EpOMEME2804225283007-10309
12,13-epoxy-9-octadecenoic acid12(13)-EpOMEME2804235356421-13295
9(10)-epoxy-12Z-octadecenoic acid9(10)-EpOMEME2804246246154-13313
15(16)-epoxy-9,12-octadecadienoic acidalpha-15(16)-EpODEME28042516061062-11293
9(10)-epoxy-12,15-octadecadienoic acidalpha-9(10)-EpODEME28042616061060-11293
12(13)-epoxy-9,15-octadecadienoic acidalpha-12(13)-EpODEME28042716061061-12293
11-Hydroxy-14,15-epoxyeicosatrienoic acid14,15-Ep-11-HETrEME2804285283205-13319
11,12-Epoxyeicosa-5,8,14-trienoic acid11,12-EpETrEME2804295283204-13319
8,9-Epoxyeicosa-5,11,14-trienoic acid8,9-EpETrEME2804305283203-14319
17,18-Epoxy-5,8,11,14-eicosatetraenoic acid17(18)-EpETEME28043116061089-11317
14(15)-epoxy-5,8,11,17-eicosatetraenoic acid14(15)-EpETEME28043216061088-12317
11(12)-epoxy-5,8,14,17- eicosatetraenoic acid11(12)-EpETEME28043316061087-12317
18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-penta...19(20)-EpDPEME28043411631565-13343
16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid16(17)-EpDPEME28043514392758-13343
13-hydroperoxyoctadeca-9,11-dienoic acidE,E-13-HpODEME2804365280720-11311
9-hydroperoxyoctadeca-10,12-dienoic acidE,E-9-HpODEME2804376439847-11311
15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid15S-HpETEME2804385280893-11335
12-hydroperoxyicosa-5,8,10,14-tetraenoic acid12S-HpETEME2804395280892-12335
5-hydroperoxyeicosa-6,8,11,14-tetraenoic acid5S-HpETEME2804405280778-13335
10-nitrooleic acid10-Nitrooleic acidME28044124836820-15326
9-nitrooleic acid9-Nitrooleic acidME28044211645581-15326
10-nitrolinoleic acid10-Nitrolinoleic acidME2804435282259-14324
1-Phenylurea-3-hexanoic acid1-Phenylurea-3-hexanoic acidME2804444137915-3249
6-keto Prostaglandin F1a-d46-Keto-PGF1alphaME2804455283044-3373
Thromboxane B2-d4TXB2ME28044616061116-4373
Prostaglandin F2a-d4PGF2alphaME2804475283029-4357
Prostaglandin D2-d4PGD2ME2804485283030-5355
12-(cyclohexylcarbamoylamino)dodecanoic acid-ME28044922978774-8339
Leukotriene B4-d4LTB4ME28045016061113-8373
10,11-Dihydroxyheptadecanoic acid-ME28045114454608-8301
14,15-dihydroxyeicosa-5,8,11-trienoic acid-d1114,15-DiHETrEME280452--9348
20-HETE-d620-HETEME28045316061123-10325
9(S)-HODE-d49S-HODEME28045416061038-11299
12(S)-HETE-d812S-HETEME2804556914100-12327
5(S)-HETE-d85S-HETEME2804565283153-13327
(±)12(13)-EpOME-d412(13)-EpOMEME280457--13299
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
cortisolCortisolME2804595754C007351.93363.217
17a-Hydroxyprogesterone17alpha-HydroxyprogesteroneME2804606238C011768.49331.227
cortisoneCortisoneME280461222786C007621.97361.201
corticosteroneCorticosteroneME2804625753C021403.59347.222
progesteroneProgesteroneME2804635994C0041013.8315.232
allo-pregnanolone3alpha-Hydroxy-5alpha-pregnan-20-oneME28046492786C1371215.7319.263
cortexolone11-DeoxycortisolME280465440707C054883.94347.222
beta-pregnanolone3alpha-Hydroxy-5beta-pregnane-20-oneME28046631402C0548011.97319.263
testosteroneTestosteroneME2804676013C005356.37289.216
dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME28046812594C045553.35369.497
cortexone11-DeoxycorticosteroneME2804696166C032057.26331.227
cortisol sulfateCortisol 21-sulfateME280470102172-1.5443.173
androstenedioneAndrostenedioneME2804716128C002807.71287.201
dehydroepiandrosteroneDehydroepiandrosteroneME2804725881C012277.88289.216
dihydrotestosterone5alpha-DihydrotesosteroneME28047310635C039179.54291.232
aldosteroneAldosteroneME2804745839C017801.48361.201
17-OH pregnenolone17alpha-HydroxypregnenoloneME28047591451-7.41333.242
20-hydroxyprogesterone-ME2804768956C0404211.07317.248
2-methoxyestradiol2-Methoxyestradiol-17betaME28047766414C053027.18303.195
androstanediolAndrostanediolME280478242332C125256.83293.248
androstenediolAndrostenediolME28047910634C042955.57291.232
cis-androsteroneAndrosteroneME28048012306765C0052312.55291.232
dihydroprogesterone5alpha-Pregnane-3,20-dioneME28048192810C0368115.8317.248
estroneEstroneME2804825870C004687.62271.169
estradiolbeta-EstradiolME2804835757C009515.7273.185
estriolEstriolME2804845756C051411.33289.18
etiocholanoloneEtiocholanoloneME2804855880C0437311.58291.232
pregnenolonePregnenoloneME2804868955C0195313.93317.248
trans-androsteroneEpiandrosteroneME280487441302C076359.09291.232
testosterone glucuronideTestosterone glucuronideME280488108192C111342.22465.248
TaurodehydrocholateTaurodehydrocholic acidME280489121933-2.98508.237
Tauro-?-Muricholic acidTauromuricholic acidME280490118703092-3.53514.284
Tauro-a-Muricholic acidTauro-alpha-muricholic acidME280491168408-3.77514.284
Tauro-ß-Muricholic acidTauro-beta-muricholic acidME28049221124703-3.92514.284
Tauroursodeoxycholic acidTauroursodeoxycholic acidME2804939848818C168686.15498.289
Taurocholic acidTaurocholic acidME2804946675-6.47514.284
?-Muricholic acidMuricholic acidME2804955283851C177277.69407.28
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME28049612310288-7.81448.307
Glycohyodeoxycholic acidGlycohyodeoxycholic acidME280497114611-7.98448.307
a-Muricholic acidalpha-Muricholic acidME280498119473-8.04407.28
Glycocholic acidGlycocholic acidME28049910140C019218.01464.302
ß-Muricholic acidbeta-Muricholic acidME2805005283853C177268.43407.28
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME280501387316C054658.87498.289
Taurodeoxycholic acidTaurodeoxycholic acidME2805022733768-9.55498.289
Cholic acidCholic acidME280503221493C0069510.69407.28
Ursodeoxycholic acidUrsodeoxycholic acidME28050431401C0788010.94391.285
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME28050512544C0546611.32448.307
Glycodeoxycholic acidGlycodeoxycholic acidME2805063035026C0546411.95448.307
Taurolithocholic acidTaurolithocholic acidME280507439763C0259212.32482.295
Chenodeoxycholic acidChenodeoxycholic acidME28050810133C0252812.57391.285
Deoxycholic acidDeoxycholic acidME280509222528C0448312.65391.285
Glycolithocholic acidGlycolithocholic acidME280510115245C1555712.71432.312
Lithocholic acidLithocholic acidME2805119903C0399013.15375.29
17-OH progesterone-d8-ME28051259476914-9.3339.277
estradiol-d4beta-EstradiolME28051387229045-7.02277.21
progesterone-d9ProgesteroneME28051471309321-14.05324.288
testosterone-d3TestosteroneME28051545040472-7.56292.235
Glycocholic acid-d4Glycocholic acidME28051671309846-8.01468.326894
Taurochenodeoxycholic acid-d4Taurochenodeoxycholic acidME28051757369414-8.87502.314614
Cholic acid-d4Cholic acidME28051816217616-10.69411.305424
Glycochenodeoxycholic acid-d4Glycochenodeoxycholic acidME28051945039362-11.32452.331974
Chenodeoxycholic acid-d4Chenodeoxycholic acidME28052016217615-12.57395.310504
Deoxycholic acid-d4Deoxycholic acidME28052171309027-12.65395.310504
Lithocholic acid-d5Lithocholic acidME280522--13.15380.321824


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