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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
(3-Carboxypropyl)trimethylammonium (TMAB)-ME356704---146.118104
Adenosyl HomocysteineS-AdenosylhomocysteineME356706-C00021-385.129416
Adenosyl MethionineS-AdenosylmethionineME356707-C00019-399.145066
AlanineAlanineME356708-C00041-90.055504
Aminobutyric AcidAminobutyric acidME356709-C00334-104.071154
ArginineArginineME356710-C00062-175.119501
Arsenobetaine-ME356711-C19331-179.005326
AsparagineAsparagineME356712-C00152-133.061318
Aspartic acidAspartic acidME356713-C00049-134.045334
BetaineBetaineME356714-C00719-118.086804
BetonicineBetonicineME356715-C08269-160.097369
CarnitineCarnitineME356716-C00487-162.113019
CholineCholineME356717-C00114-104.107539
Dimethyl GlycineDimethylglycineME356718-C01026-104.071154
Dimethylsulfonioacetate (DMS-Ac)(Dimethylsulfonio)acetateME356719-C03392-121.032327
DMSPS,S-Dimethyl-beta-propiothetinME356720-C04022-135.047977
EctoineEctoineME356721-C06231-143.082053
GlucosylglycerolGlucosylglycerolME356722-C11546-255.107995
Glutamic acidGlutamic acidME356723-C00025-148.060984
GlutamineGlutamineME356724-C00064-147.076968
GlycineGlycineME356725-C00037-76.039854
GonyolGonyolME356726---179.074191
HistidineHistidineME356727-C00135-156.077302
HomarineHomarineME356728---138.055503
HomoserineHomoserineME356729-C00263-120.066069
HydroxyectoineHydroxyectoineME356730-C16432-159.076968
HypotaurineHypotaurineME356731-C00519-110.027576
(Iso)leucineIsoleucineME356705-C00407-132.102454
LysineLysineME356732-C00047-147.113353
MethionineMethionineME356733-C00073-150.058876
N(e)-Acetyl-LysineN6-AcetyllysineME356734-C02727-189.123918
OrnithineOrnithineME356735-C00077-133.097703
ProlineProlineME356736-C00148-116.071154
SarcosineSarcosineME356737-C00213-90.055504
SerineSerineME356738-C00065-106.050419
Stachydrine hydrochlorideStachydrineME356739-C10172-144.102454
ThreonineThreonineME356740-C00188-120.066069
trans Hydroxyl prolinecis-3-HydroxyprolineME356741-C01157-132.066069
TrigonellineTrigonellineME356742-C01004-138.055503
Trimethylamine N-oxideTrimethylamine N-oxideME356743-C01104-76.076239
Trimethylammonium Propionate (TMAP)-ME356744-C08263-132.1018
TyrosineTyrosineME356745-C00082-182.081719
ValineValineME356746-C00183-118.086804


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cysteic AcidCysteic acidME356747-C00506-167.996671
DHPS(2R)-3-sulfopropanediolME356748-C19675-155.001422
Isethionic Acid2-HydroxyethanesulfonateME356749-C05123-124.990857
L-Pyroglutamic acidPyroglutamic acidME356750-C01879-128.034768
SucroseSucroseME356751-C00089-341.10839
Sulfolactic AcidSulfolactic acidME356752-C16069-168.980687
TaurineTaurineME356753-C00245-124.006841
TrehaloseTrehaloseME356754-C01083-341.10839


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