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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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME292279-C02774-189.1483
2',3'-Cyclic CMP2',3' cyclic CMPME292243-C02354-306.0502
2-Deoxy-alpha-D-glucoside-ME292276-C03573-164.0665
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME292280-C17220-191.0762
4-Acetamidobutanoate4-Acetamidobutanoic acidME292259-C02946-146.081
5-6-DihydrothymineDihydrothymineME292244-C00906-129.0658
5-Guanidino-2-oxopentanoate2-OxoarginineME292256-C03771-174.087
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME292250-C05283-276.1187
5-OxoprolinePyroglutamic acidME292246-C01879-130.0498
6-Pyruvoyltetrahydropterin-ME292275-C03684-238.0917
8-Methoxykynurenate-ME292265-C05830-220.0577
acetyl-carnitineCAR 2:0ME292270-C02571-204.1229
AcetylcholineAcetylcholineME292267-C01996-146.1172
Anthranilate2-Aminobenzoic acidME292283-C00108-138.0548
AscorbateVitamin CME292247-C00072-177.039
butanoyl-l-carnitineCAR 4:0ME292272-C02862-232.1541
CholineCholineME292268-C00114-104.1074
CreatineCreatineME292257-C00300-132.0768
CreatinineCreatinineME292258-C00791-114.0664
DimethylglycineDimethylglycineME292252-C01026-104.071
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME292248-C05695-313.0334
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME292249-C03738-219.0974
g-Oxalo-crotonate4-Oxalocrotonic acidME292264-C03453-159.0274
hexanoyl-L-carnitineCAR 6:0ME292274---260.1852
HydroxybutyrylcarnitineCAR 4:0;OHME292273---248.1483
HypoxanthineHypoxanthineME292241-C00262-137.0456
L-alanineAlanineME292224-C00041-90.05559
L-arginineArginineME292225-C00062-175.1189
L-asparagineAsparagineME292226-C00152-133.0605
L-CarnitineCarnitineME292269-C00318-162.1122
L-CitrullineCitrullineME292254-C00327-176.1027
L-cystineCystineME292240-C00491-241.0291
L-FormylkynurenineN-Formyl-L-kynurenineME292282-C02700-237.0867
L-glutamateGlutamic acidME292227-C00025-148.0603
L-glutamineGlutamineME292228-C00064-147.0761
L-histidineHistidineME292229-C00135-156.0766
L-HomocysteineHomocysteineME292251-C00155-136.0427
L-KynurenineKynurenineME292281-C00328-209.0918
L-leucineLeucineME292230-C00123-132.1017
L-lysineLysineME292231-C00047-147.1124
L-methionineMethionineME292232-C00073-150.0583
L-Methionine S-oxideMethionine sulfoxideME292263-C02989-166.0529
L-phenylalaninePhenylalanineME292233-C00079-166.086
L-prolineProlineME292234-C00148-116.0709
L-serineSerineME292235-C00065-106.0501
L-threonineThreonineME292236-C00188-120.0656
L-tryptophanTryptophanME292237-C00078-205.0969
L-tyrosineTyrosineME292238-C00082-182.0809
L-valineValineME292239-C00183-118.0865
N6-Methyl-L-lysineN(6)-MethyllysineME292278-C02728-161.1281
N-AcetylornithineN-AcetylornithineME292260-C00437-175.1074
N-Acyl-D-mannosaminolactone-ME292277-C03792-205.0574
OrnithineOrnithineME292253-C01602-133.0972
Picolinic acidPicolinic acidME292284-C10164-124.0388
propionyl-carnitineCAR 3:0ME292271-C03017-218.1385
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME292245-C00647-249.0605
Quinolinic acidQuinolinic acidME292285-C03722-168.0296
SerotoninSerotoninME292266-C00780-177.1019
SpermidineSpermidineME292255-C00315-146.165
TaurineTaurineME292262-C00245-126.0221
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME292261-C01157-132.0654
XanthineXanthineME292242-C00385-153.0406


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
13(S)-HODE13S-HODEME292324-C14762-295.2287
2-Oxoglutarate2-Oxoglutaric acidME292301-C00026-145.0135
5-Hydroxyisourate5-Hydroxyisouric acidME292288-C11821-183.0153
AdenosineAdenosineME292286-C00212-266.0893
a-Linolenic acidalpha-Linolenic acidME292320-C06427-277.2184
Arachidonic acidArachidonic acidME292321-C00219-303.2342
CatechinCatechinME292327-C17590-289.0685
CitrateCitric acidME292300-C00158-191.0195
D-ArabitolArabitolME292299-C01904-151.0606
Decanoic acidCapric acidME292312-C01571-171.1387
DehydroascorbateL-Dehydroascorbic acidME292305-C05422-173.0087
D-GlucoseGlucoseME292290-C00031-179.0558
D-Glucose-phosphateHexose 6-phosphateME292291-C02965-259.0234
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME292292-C00118-168.9889
Docosahexaenoic acidDocosahexaenoic acidME292322-C06429-327.2343
Dodecanoic acidLauric acidME292313-C02679-199.1701
D-RhamnoseRhamnoseME292298-C01684-163.0606
D-RiboseRiboseME292297-C00121-149.0449
FumarateFumaric acidME292303-C00122-115.0026
Glycerol 3-phosphatesn-Glycero-3-phosphateME292308-C00093-171.006
Heptanoic acidHeptylic acidME292310-C17714-129.091
Hexadecenoic acidHexadecenoic acidME292317-C08362-253.2183
Hexanoic acidCaproic acidME292309-C01585-115.0753
HomocarnosineHomocarnosineME292307-C00884-239.1153
InosineInosineME292287-C00294-267.0737
LactateLactic acidME292295-C01432-89.02312
Linoleic acidLinoleic acidME292319-C01595-279.2341
MalateMalic acidME292304-C00149-133.0135
MannitolMannitolME292296-C00392-181.0715
N-AcetylneuraminateN-Acetylneuraminic acidME292306-C00270-308.0997
Octadecanoic acidStearic acidME292315-C01530-283.2654
Octadecenoic acidOctadecenoic acidME292318-C00712-281.2497
Octanoic acidCaprylic acidME292311-C06423-143.1069
Phospho-D-glycerate2-Phosphoglyceric acidME292293-C00631-184.9841
Prostaglandin D2PGD2ME292325-C00696-351.2222
Prostaglandin G2PGG2ME292326-C05956-367.2161
PyruvatePyruvic acidME292294-C00022-87.00746
SuccinateSuccinic acidME292302-C00042-117.0183
Tetradecanoic acidMyristic acidME292314-C06424-227.2018
Tetradecenoic acidTetradecenoic acidME292316-C08322-225.1862
Undecanoic acidUndecylic acidME292323-C17715-185.1543
UrateUric acidME292289-C00366-167.0207
VanillateVanillic acidME292328-C06672-167.0368


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