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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
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME442467---102.055
SerineSerineME442468---106.0499
ProlineProlineME442469---116.0706
PhenylethylaminePhenylethylamineME442470---122.0964
Benzoic acidBenzoic acidME442471---123.044
NiacinamideNiacinamideME442472---123.0553
TaurineTaurineME442473---126.022
5-Methylcytosine5-MethylcytosineME442474---126.0662
HomocysteineHomocysteineME442475---136.0431
AdenineAdenineME442476---136.0618
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME442477---146.0812
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME442478---146.0925
GlutamineGlutamineME442479---147.0764
LysineLysineME442480---147.1128
HistidineHistidineME442481---156.0768
CarnitineCarnitineME442482---162.1125
NicotineNicotineME442483---163.123
3-Methoxytyramine3-MethoxytyramineME442484---168.1018
Uric acidUric acidME442485---169.0358
N-AcetylleucineN-AcetylleucineME442486---174.1125
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME442487---189.1598
CaffeineCaffeineME442488---195.0877
AcetylcarnitineCAR 2:0ME442489---204.1231
TryptophanTryptophanME442490---205.0972
KynurenineKynurenineME442491---209.092
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME442492---217.18
Pantothenic acidPantothenic acidME442493---220.1179
CystathionineCystathionineME442494---223.0748
Methyl jasmonateMethyl jasmonateME442495---225.1485
CystineCystineME442496---241.0311
AnserineAnserineME442497---241.1295
Gamma-Linolenic acidgamma-Linolenic acidME442498---279.2319
SphinganineSphinganineME442499---302.3054
Docosahexaenoic acidDocosahexaenoic acidME442500---329.248
DodecanoylcarnitineCAR 12:0ME442501---344.2795
CortisolCortisolME442502---363.2164
S-AdenosylhomocysteineS-AdenosylhomocysteineME442503---385.1287
BiliverdinBiliverdinME442504---583.2546
BilirubinBilirubinME442505---585.2702


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
SerineSerineME442506---104.0352
Glyceric acidGlyceric acidME442507---105.0193
HistamineHistamineME442508---110.0724
ProlineProlineME442509---114.056
AcetylglycineN-AcetylglycineME442510---116.0353
Heptanoic acidHeptylic acidME442511---129.0921
Ureidopropionic acidUreidopropionic acidME442512---131.0457
Aspartic acidAspartic acidME442513---132.0302
Phenylacetic acidPhenylacetic acidME442514---135.0451
5-Hydroxymethyluracil5-HydroxymethyluracilME442515---141.0305
Oxoglutaric acid2-Oxoglutaric acidME442516---145.0142
GlutamineGlutamineME442517---145.0619
LysineLysineME442518---145.0983
Citramalic acidCitramalic acidME442519---147.0299
trans-Cinnamic acidtrans-Cinnamic acidME442520---147.0449
XanthineXanthineME442521---151.0263
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME442522---151.0401
HistidineHistidineME442523---154.0622
Aminoadipic acidAminoadipic acidME442524---160.0615
FucoseFucoseME442525---163.0612
PhenylalaninePhenylalanineME442526---164.0716
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME442527---165.0557
Uric acidUric acidME442528---167.0209
N-AcetylasparagineN-AcetylasparagineME442529---173.0568
Suberic acidSuberic acidME442530---173.0819
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME442531---174.0407
Guanidinosuccinic acidGuanidinosuccinic acidME442532---174.052
GulonolactoneL-GulonolactoneME442533---177.0404
Hippuric acidHippuric acidME442534---178.051
TyrosineTyrosineME442535---180.0666
Azelaic acidAzelaic acidME442536---187.0975
N-Alpha-acetyllysineN(2)-AcetyllysineME442537---187.1087
N-Acetylglutamic acidN-Acetylglutamic acidME442538---188.0565
Quinic acidQuinic acidME442539---191.0561
Gluconic acidGluconic acidME442540---195.051
Dodecanoic acidLauric acidME442541---199.1703
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME442542---215.1652
Pantothenic acidPantothenic acidME442543---218.1033
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME442544---219.0775
Myristic acidMyristic acidME442545---227.2016
UridineUridineME442546---243.0621
Palmitoleic acidPalmitoleic acidME442547---253.2172
Palmitic acidPalmitic acidME442548---255.2329
Heptadecanoic acidMargaric acidME442549---269.2485
Linoleic acidLinoleic acidME442550---279.2327
Stearic acidStearic acidME442551---283.2641
N-Acetylneuraminic acidN-Acetylneuraminic acidME442552---308.0985
Arachidic acidArachidic acidME442553---311.2955


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