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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME442492---217.18
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME442467---102.055
3-Methoxytyramine3-MethoxytyramineME442484---168.1018
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME442477---146.0812
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME442478---146.0925
5-Methylcytosine5-MethylcytosineME442474---126.0662
AcetylcarnitineCAR 2:0ME442489---204.1231
AdenineAdenineME442476---136.0618
AnserineAnserineME442497---241.1295
Benzoic acidBenzoic acidME442471---123.044
BilirubinBilirubinME442505---585.2702
BiliverdinBiliverdinME442504---583.2546
CaffeineCaffeineME442488---195.0877
CarnitineCarnitineME442482---162.1125
CortisolCortisolME442502---363.2164
CystathionineCystathionineME442494---223.0748
CystineCystineME442496---241.0311
Docosahexaenoic acidDocosahexaenoic acidME442500---329.248
DodecanoylcarnitineCAR 12:0ME442501---344.2795
Gamma-Linolenic acidgamma-Linolenic acidME442498---279.2319
GlutamineGlutamineME442479---147.0764
HistidineHistidineME442481---156.0768
HomocysteineHomocysteineME442475---136.0431
KynurenineKynurenineME442491---209.092
LysineLysineME442480---147.1128
Methyl jasmonateMethyl jasmonateME442495---225.1485
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME442487---189.1598
N-AcetylleucineN-AcetylleucineME442486---174.1125
NiacinamideNiacinamideME442472---123.0553
Nicotine(R)-NicotineME442483---163.123
Pantothenic acidPantothenic acidME442493---220.1179
PhenylethylaminePhenylethylamineME442470---122.0964
ProlineProlineME442469---116.0706
S-AdenosylhomocysteineS-AdenosylhomocysteineME442503---385.1287
SerineSerineME442468---106.0499
SphinganineSphinganineME442499---302.3054
TaurineTaurineME442473---126.022
TryptophanTryptophanME442490---205.0972
Uric acidUric acidME442485---169.0358


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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME442542---215.1652
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME442522---151.0401
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME442527---165.0557
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME442544---219.0775
5-Hydroxymethyluracil5-HydroxymethyluracilME442515---141.0305
AcetylglycineN-AcetylglycineME442510---116.0353
Aminoadipic acidAminoadipic acidME442524---160.0615
Arachidic acidArachidic acidME442553---311.2955
Aspartic acidAspartic acidME442513---132.0302
Azelaic acidAzelaic acidME442536---187.0975
Citramalic acidCitramalic acidME442519---147.0299
Dodecanoic acidLauric acidME442541---199.1703
FucoseFucoseME442525---163.0612
Gluconic acidGluconic acidME442540---195.051
GlutamineGlutamineME442517---145.0619
Glyceric acidGlyceric acidME442507---105.0193
Guanidinosuccinic acidGuanidinosuccinic acidME442532---174.052
GulonolactoneL-GulonolactoneME442533---177.0404
Heptadecanoic acidMargaric acidME442549---269.2485
Heptanoic acidHeptylic acidME442511---129.0921
Hippuric acidHippuric acidME442534---178.051
HistamineHistamineME442508---110.0724
HistidineHistidineME442523---154.0622
Linoleic acidLinoleic acidME442550---279.2327
LysineLysineME442518---145.0983
Myristic acidMyristic acidME442545---227.2016
N-AcetylasparagineN-AcetylasparagineME442529---173.0568
N-Acetylglutamic acidN-Acetylglutamic acidME442538---188.0565
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME442531---174.0407
N-Acetylneuraminic acidN-Acetylneuraminic acidME442552---308.0985
N-Alpha-acetyllysineN(2)-AcetyllysineME442537---187.1087
Oxoglutaric acidOxoglutaric acidME442516---145.0142
Palmitic acidPalmitic acidME442548---255.2329
Palmitoleic acidPalmitoleic acidME442547---253.2172
Pantothenic acidPantothenic acidME442543---218.1033
Phenylacetic acidPhenylacetic acidME442514---135.0451
PhenylalaninePhenylalanineME442526---164.0716
ProlineProlineME442509---114.056
Quinic acidQuinic acidME442539---191.0561
SerineSerineME442506---104.0352
Stearic acidStearic acidME442551---283.2641
Suberic acidSuberic acidME442530---173.0819
trans-Cinnamic acidtrans-Cinnamic acidME442520---147.0449
TyrosineTyrosineME442535---180.0666
Ureidopropionic acidUreidopropionic acidME442512---131.0457
Uric acidUric acidME442528---167.0209
UridineUridineME442546---243.0621
XanthineXanthineME442521---151.0263


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