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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11(12)-DiHET11,12-DiHETrEME292035-C147743.124767337.2356
(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoic acidDPAME292032-C165132.740024329.2479
Adrenic AcidAdrenic acidME292034-C165273.01482331.2636
Arachidonic AcidArachidonic acidME292033-C002192.708493303.2324
CystathionineCystathionineME292019-C005420.6778197221.0659
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME292018-C003540.6593103338.9941
Dihomo-gamma-linolenateDihomo-gamma-linolenic acidME292031-C032422.907028305.248
Docosahexaenoic acidDocosahexaenoic acidME292030-C064292.606284327.2325
dTMPdTMPME292015-C003640.6048141321.0505
Eicosapentaenoic acidEicosapentaenoic acidME292029-C064282.527558301.2168
Heptanoic acidHeptylic acidME292021-C177141.849142129.0906
Hexadecenoic acidHexadecenoic acidME292025-C083622.747467253.2168
LinoleateLinoleic acidME292027-C015952.814818279.2324
Octadecanoic acidStearic acidME292023-C015302.004428283.2637
Octadecatrienoic acidOctadecatrienoic acidME292028-C064272.587579277.2168
Octadecenoic acidOctadecenoic acidME292026-C007123.177753281.248
Octanoic acidCaprylic acidME292022-C064231.951561143.1064
Prostaglandin A2PGA2ME292036-C059531.94467333.2072
Prostaglandin D3PGD3ME292037-C138022.745244349.2043
Prostaglandin E2PGE2ME292038-C005843.127086351.2197
Protein glutamine-ME292039-C025830.6343597170.0558
Tetradecenoic acidTetradecenoic acidME292024-C083222.466067225.1852
TetrahydrofolateTHFME292020-C001011.763451444.159
ThymidineThymidineME292016-C002140.6789515241.0815
UTPUTPME292017-C000750.7207673482.95


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME292041-C002360.678444266.9691
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME292073-C172200.625657191.0762
5-Guanidino-2-oxopentanoate2-OxoarginineME292045-C037710.6927844174.0852
5-Phosphoribosylamine5-PhosphoribosylamineME292040-C030903.786656230.043
AcetylcarnitineCAR 2:0ME292059-C025710.6981296204.1228
beta-L-Arabinose 1-phosphate-ME292044-C039060.6562731231.0288
ButyrylcarnitineCAR 4:0ME292061-C028621.691353232.1542
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME292042-C006690.6824774251.0701
GlycocholateGlycocholic acidME292066-C019211.942693466.316
GlycodeoxycholateGlycodeoxycholic acidME292069-C054642.069458450.3203
Hexadecenoyl-carnitineCAR 16:0ME292056--3.794127398.3261
hexanoyl-L-carnitineCAR 6:0ME292051--1.804009260.1855
HydroxybutyrylcarnitineCAR 4:0;OHME292049--1.749753248.147
Indole-3-acetateIndoleacetic acidME292046-C009541.887462176.0704
IsovalerylcarnitineCAR 4:0;3MeME292062--0.7253786246.1697
L-HomocitrullineHomocitrullineME292074-C024270.6961303190.1185
L-HomocysteineHomocysteineME292043-C001550.7070203136.0427
Linoleoyl-CoALinoleoyl-CoAME292058-C020501.873156424.3411
MethylenediureaMethylenediureaME292071-C063810.683515133.0736
MyristoylcarnitineCAR 14:0ME292064--3.740146372.3104
N6-Methyl-L-lysineN(6)-MethyllysineME292072-C027280.648225161.1284
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME292047-C012100.6706091156.0421
Octadecanoyl-L-carnitineCAR 18:0ME292057--1.937443428.3725
OctanoylcarnitineCAR 8:0ME292063-C028381.891097288.2166
octenoyl-l-carnitineCAR 8:1ME29205270679121-1.84919286.201
O-Decanoyl-L-carnitineCAR 10:0ME292053--2.018722316.2477
O-Decenoyl-L-carnitineCAR 10:1ME292054--1.95477314.232
O-dodecenoyl-carnitineCAR 12:1ME292055--2.128054342.2637
PalmitoylcarnitineCAR 16:0ME292065-C029902.116468400.3412
PentobarbitalPentobarbitalME292070-C074221.748524227.1386
PropionylcarnitineCAR 3:0ME292060-C030170.6979925218.1385
Sphingosine 1-phosphateSphingosine 1-phosphateME292048-C061243.771472380.2552
TaurochenodeoxycholateTaurochenodeoxycholic acidME292068-C054651.913076500.3041
TaurocholateTaurocholic acidME292067-C051221.863863516.3046
TiglylcarnitineCAR 4:1;2MeME292050--1.746989244.1542


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