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


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


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
Isobutyryl-L-carnitineCAR 3:0;2MeME544482-NA-232.154884
MethylthioadenosineMethylthioadenosineME544483-cpd:C00170-298.097387
PhenylalaninePhenylalanineME544479-cpd:C00079-166.086804
Propionyl-L-carnitineCAR 3:0ME544484-cpd:C03017-218.139234
TyrosineTyrosineME544481-cpd:C00082-182.081719
Vitamin B3Nicotinic acidME544480938cpd:C00253-124.039854


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