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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
Adenosyl MethionineS-AdenosylmethionineME54440434755cpd:C00019-399.145066
Adenosyl HomocysteineS-AdenosylhomocysteineME544403-cpd:C00021-385.129416
Glutamic acidGlutamic acidME544435-cpd:C00025-148.060984
GlycineGlycineME544412750cpd:C00037-76.039854
LysineLysineME544440-cpd:C00047-147.113353
Aspartic acidAspartic acidME544409-cpd:C00049-134.045334
ArginineArginineME544405-cpd:C00062-175.119501
GlutamineGlutamineME544411-cpd:C00064-147.076968
MethionineMethionineME544418-cpd:C00073-150.058876
TyrosineTyrosineME544415-cpd:C00082-182.081719
beta-Alaninebeta-AlanineME544453239cpd:C00099-90.055504
CholineCholineME544429305cpd:C00114-104.107539
LeucineLeucineME544417-cpd:C00123-132.102454
AdenineAdenineME544423190cpd:C00147-136.06232
ProlineProlineME544413-cpd:C00148-116.071154
AsparagineAsparagineME544425-cpd:C00152-133.061318
AdenosineAdenosineME54442460961cpd:C00212-268.10458
SarcosineSarcosineME5444431088cpd:C00213-90.055504
GuanineGuanineME544437135398634cpd:C00242-152.057235
CreatineCreatineME544430586cpd:C00300-132.077302
CytosineCytosineME544432597cpd:C00380-112.051087
GuanosineGuanosineME544406135398635cpd:C00387-284.099495
IsoleucineIsoleucineME544416-cpd:C00407-132.102454
CytidineCytidineME5444106175cpd:C00475-244.093347
CarnitineCarnitineME544428288cpd:C00487-162.113019
HypotaurineHypotaurineME544407107812cpd:C00519-110.027576
DeoxyadenosineDeoxyadenosineME544452-cpd:C00559-252.109665
Glycerophosphocholinesn-Glycero-3-phosphocholineME544436-cpd:C00670-258.110652
BetaineBetaineME544426-cpd:C00719-118.086804
TrigonellineTrigonellineME5444455570cpd:C01004-138.055503
Trimethylamine N-oxideTrimethylamine N-oxideME544446-cpd:C01104-76.076239
trans Hydroxyl prolinecis-3-HydroxyprolineME5444085810cpd:C01157-132.066069
L-Pyroglutamic acidPyroglutamic acidME544439-cpd:C01879-130.050419
CystathionineCystathionineME544431439258cpd:C02291-223.075255
Acetyl-L-carnitineCAR 2:0ME544422439756cpd:C02571-204.123584
Butyryl-L-carnitineCAR 4:0ME544427213144cpd:C02862-232.154884
Propionyl-L-carnitineCAR 3:0ME544442-cpd:C03017-218.139234
Dimethylsulfonioacetate (DMS-Ac)(Dimethylsulfonio)acetateME544447-cpd:C03392-121.032327
DMSPS,S-Dimethyl-beta-propiothetinME544433-cpd:C04022-135.047977
EctoineEctoineME544434126041cpd:C06231-143.082053
BetonicineBetonicineME544449164642cpd:C08269-160.097369
Stachydrine hydrochlorideStachydrineME544444-cpd:C10172-144.102454
GlucosylglycerolGlucosylglycerolME544414-cpd:C11546-255.107995
HydroxyectoineHydroxyectoineME544454-cpd:C16432-159.076968
Arsenobetaine-ME54445047364cpd:C19331-179.005326
4-Hydroxyisoleucine-ME544451-cpd:C20802-148.097369
Ophthalmic AcidOphthalmic acidME5444417018721cpd:C21016-290.135212
TuricineTuricineME5444486560290cpd:C21513-160.097369
DL-Proline, D7-ME544419-NA-123.1145
GonyolGonyolME544402-NA-179.074191
HomarineHomarineME5444383620NA-138.055503
L-Isoleucine, 15NIsoleucineME544420-NA-133.0989
L-Methionine, D3-ME544421-NA-153.0771


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
AMPAMPME5444556083cpd:C00020-346.055262
Ketoglutaric Acid2-Oxoglutaric acidME544475-cpd:C00026-145.0137
UDP-glucosamineUDP-glucosamineME544468-cpd:C00043-606.073753
SucroseSucroseME5444635988cpd:C00089-341.10839
Fumaric AcidFumaric acidME544472444972cpd:C00122-115.003135
Citric AcidCitric acidME544456311cpd:C00158-191.01918
ThymineThymineME5444611135cpd:C00178-125.035103
ThymidineThymidineME5444585789cpd:C00214-241.082448
GuanineGuanineME544473135398634cpd:C00242-150.041585
TaurineTaurineME5444641123cpd:C00245-124.006841
InosineInosineME544462135398641cpd:C00294-267.072946
UridineUridineME5444776029cpd:C00299-243.061713
Isocitric AcidIsocitric acidME5444571198cpd:C00311-191.01918
GuanosineGuanosineME544474135398635cpd:C00387-282.083845
CytidineCytidineME5444716175cpd:C00475-242.077697
Cysteic AcidCysteic acidME54446072886cpd:C00506-167.996671
TrehaloseTrehaloseME5444657427cpd:C01083-341.10839
Amino Propanesulfonic AcidCerebrilME544470-cpd:C03349-138.022491
Isethionic Acid2-HydroxyethanesulfonateME544459-cpd:C05123-124.990857
Sulfanilic Acid-ME5444788479cpd:C06335-172.006841
Sulfolactic AcidSulfolactic acidME54446720981094cpd:C11537-168.980687
DHPS(2R)-3-sulfopropanediolME544466-cpd:C19675-155.001422
N-acetyltaurineN-AcetyltaurineME544476-NA-166.017406
Succinic Acid, D4-ME544469-NA-121.0444


Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
PhenylalaninePhenylalanineME544479-cpd:C00079-166.086804
TyrosineTyrosineME544481-cpd:C00082-182.081719
MethylthioadenosineMethylthioadenosineME544483-cpd:C00170-298.097387
Vitamin B3Nicotinic acidME544480938cpd:C00253-124.039854
Propionyl-L-carnitineCAR 3:0ME544484-cpd:C03017-218.139234
Isobutyryl-L-carnitineCAR 3:0;2MeME544482-NA-232.154884


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