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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diaminopropane1,3-DiaminopropaneME304342-C009866.44884394275.09226448
1-Methylhistamine1-MethylhistamineME304340-C051277.187540542126.1023834
1-Methylnicotinamide1-Methyl nicotinamideME304341-C0291810.66825088137.0705129
3-Aminoisobutyrate3-Aminoisobutanoic acidME304343-C0514511.35751866104.0712914
3-Indoxyl sulfateIndoxyl sulfateME304344--14.7989129212.0034835
3-Methylhistidine3-MethylhistidineME304345-C0115210.87887166170.0921671
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME304346-C0513512.19647834154.0970715
4-HydroxymethylimidazoleImidazole-4-methanolME304347-C0556210.1411827599.05544897
5-Aminolevulinate5-Amino-levulinic acidME304348-C0043011.56273259132.0671254
5-Aminovalerate5-Aminopentanoic acidME304349-C0043111.61156796118.0868661
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME304350-C0563530.59015511192.0660118
5-Hydroxylysine5-HydroxylysineME304351-C1674110.39463946163.1083171
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME304352-C0359214.05903748242.1132661
5-Methylcytosine5-MethylcytosineME304353-C0237611.29773465126.0661045
5-Methylthioadenosine5'-MethylthioadenosineME304354-C0017014.48977814298.0971937
7-Methylguanine7-MethylguanineME304355-C0224211.89281282166.0728755
AdenineAdenineME304236-C0014711.04677277136.0618809
AdenosineAdenosineME304237-C0021214.18001486268.1047891
ADMADimethylarginineME304238-C0362611.13010119203.1484418
AgmatineAgmatineME304239-C001797.495316013131.1288053
AlaAlanineME304240-C0004113.0220075690.05543917
Ala-AlaAla-AlaME304241-C0099313.35519958161.0924335
alpha-AminoadipateAminoadipic acidME304242-C0095615.7216347162.0766301
Alpha-MethylserineAlpha-MethylserineME304243-C0211514.89363485120.0656962
ArgArginineME304244-C0006210.33381633175.1198538
AsnAsparagineME304245-C0015215.02097735133.0608548
AspAspartic acidME304246-C0004916.49434409134.0454397
beta-Alabeta-AlanineME304247-C0009910.644525590.05515909
BetaineBetaineME304248-C0071916.1541235118.0867123
Betaine aldehydeBetaine aldehydeME304249-C0057610.81776189102.0912423
CadaverineCadaverineME304250-C016727.284463094103.1231055
CarnitineCarnitineME304251-C0031812.29976942162.112445
CarnosineCarnosineME304252-C003869.845356146114.0610715
CholineCholineME304253-C001149.96813398104.1075743
CitrullineCitrullineME304254-C0032715.83873157176.1033241
CreatineCreatineME304255-C0030012.79744054132.0769916
CreatinineCreatinineME304256-C0079110.59893424114.066402
CyclohexylamineCyclohexylamineME304257-C0057111.18155096100.1125462
CytidineCytidineME304258-C0047513.92262591244.0963933
CytosineCytosineME304259-C0038010.52696658112.0506188
DiethanolamineDiethanolamineME304260-C0677211.08703117106.0865004
EctoineEctoineME304261-C0623113.6181393143.0816539
GABAgamma-Aminobutyric acidME304262-C0033411.14487858104.0709555
gamma-Butyrobetaine3-DehydroxycarnitineME304263-C0118111.69721993146.1179438
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME304264-C0103511.97828935146.0929488
GlnGlutamineME304265-C0006415.41453876147.0769932
GluGlutamic acidME304266-C0002515.65610258148.0612879
GlyGlycineME304267-C0003712.0062596176.0401084
Gly-GlyGly-GlyME304268-C0203712.09896087133.0605984
GuanidinoacetateGuanidoacetic acidME304269-C0058111.90367252118.0612773
GuanidinosuccinateGuanidinosuccinic acidME304270-C0313914.52679978176.067115
GuanineGuanineME304271-C0024211.99061808152.0567117
GuanosineGuanosineME304272-C0038717.76299951284.1005672
HisHistidineME304273-C0013510.58976319156.0773522
HistamineHistamineME304274-C003886.980243289112.0871174
HomoserineHomoserineME304275-C0026314.48384782120.066011
HomovanillateHomovanillic acidME304276-C0558216.97091619181.0513924
Hydroxyprolinecis-3-HydroxyprolineME304277-C0101517.19185392132.0653183
HypoxanthineHypoxanthineME304278-C0026215.79078683137.0458327
IleIsoleucineME304279-C0040714.70279918132.1022372
Imidazole-4-acetateImidazoleacetic acidME304280-C0283511.59981235127.0499516
Indole-3-ethanolTryptophanolME304281-C0095530.34174047162.0915838
InosineInosineME304282-C0029427.04447023269.0887487
Isoamylamine3-Methyl-1-butylamineME304283-C0264010.8521860788.11207956
IsopropanolamineIsopropanolamineME304284-C0577110.2074774476.07637697
LeuLeucineME304285-C0012314.84601882132.1022522
LysHomoglutamineME304286-C000479.999411694147.1135342
Mannosamine2-Amino-2-deoxy-D-mannoseME304287-C0357013.13721915180.0950043
MetMethionineME304288-C0007315.38321506150.0588389
Methionine sulfoxideMethionine sulfoxideME304289-C0298916.94053929166.0533513
N1-AcetylspermidineN1-AcetylspermidineME304293-C006129.247991435188.1763029
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME304291-C0341310.97912352144.1264029
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME304292--14.74750896230.1869201
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME304294-C0379310.43802155189.1601835
N8-AcetylspermidineN8-AcetylspermidineME304295-C010299.359623462188.1761182
N-AcetylglucosamineN-Acetyl-D-glucosamineME304296-C0014030.36852961222.0919857
N-AcetylhistidineN-AcetylhistidineME304297-C0299714.12795954198.0865857
N-AcetylornithineN-AcetylornithineME304298-C0043713.78065178175.1075887
N-AcetylputrescineN-AcetylputrescineME304299-C0271412.22155514131.1182555
N-AcetylvalineN-AcetylvalineME304300--31.04210501160.0970213
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME304301-C0425912.01612857184.1068781
N-epsilon-AcetyllysineN6-AcetyllysineME304302-C0272716.36669384189.1235639
NicotinamideNiacinamideME304303-C0015310.71781244123.0555543
N-MethylalanineN-MethylalanineME304304-C0272114.77674762104.0711238
N-MethylglutamateN-Methyl-glutamic acidME304305-C0104618.02314781162.0758772
N,N-DimethylglycineDimethylglycineME304290-C0102615.67341552104.0710454
O-AcetylserineO-AcetylserineME304306-C0097917.97472079148.0608301
OphthalmateOphthalmic acidME304307--18.8086212290.1361272
OrnithineOrnithineME304308-C000779.916531111133.0974816
p-AminobenzoateP-Aminobenzoic acidME304309-C0056813.87154932138.0549377
PhePhenylalanineME304310-C0007915.89998063166.0867795
PipecolatePipecolic acidME304311-C0040814.78464548130.0865543
ProProlineME304312-C0014815.51336514116.0710732
Putrescine(1,4-Butanediamine)PutrescineME304313-C001346.88329102789.10773556
PyridoxaminePyridoxamineME304314-C005348.676699644169.0972216
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME304315-C0064715.01723449249.0621705
SaccharopineSaccharopineME304316-C0044915.40840268277.1332608
SAM+S-AdenosylmethionineME304317-C0001910.32830435200.0769476
SarcosineSarcosineME304318-C0021313.635430790.05522785
SDMASymmetric dimethylarginineME304319--11.3105909203.1512363
SerSerineME304320-C0006514.34081131106.0501588
SerotoninSerotoninME304321-C0078012.65839999177.1030211
SpermidineSpermidineME304322-C003156.625423841146.1656083
TaurineTaurineME304323-C0024530.25323343126.0229161
ThiamineThiamineME304324-C003789.624052897265.1129598
ThrThreonineME304325-C0018815.0850018120.0657983
ThymidineThymidineME304326-C0021430.33089324243.0998005
ThymineThymineME304327-C0017830.31701958127.0420829
TrigonellineTrigonellineME304328-C0100415.00926268138.0546282
Trimethylamine N-oxideTrimethylamine N-oxideME304329-C011049.59635868876.07639348
TrpTryptophanME304330-C0007815.78280286205.097753
TyrTyrosineME304331-C0008216.25639862182.0816191
TyramineTyramineME304332-C0048311.97901718138.0916109
UracilUracilME304333-C0010630.31192101113.0358042
UreaUreaME304334-C0008629.1353656261.04072233
UridineUridineME304335-C0029930.3207496245.0847233
UrocanateUrocanic acidME304336-C0078511.98268369139.0506169
ValValineME304337-C0018314.43263605118.0867309
XanthineXanthineME304338-C0038526.95482365153.0397021
XanthurenateXanthurenic acidME304339-C0247012.26327891204.0294232


Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,5-DihydroxybenzoateGentisic acidME304407-C0062814.72108276153.0214093
2-Hydroxybutyrate2-Hydroxybutyric acidME304408-C0598414.43055988103.0411171
2-Hydroxyglutarate2-Hydroxyglutaric acidME304409-C0263010.78880146147.0310518
2-Isopropylmalate2-Isopropylmalic acidME304410-C0250411.74313043175.0622608
2-OxoglutarateOxoglutaric acidME304411-C0002610.06297298145.0147602
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME304412-C0174416.66050822165.0570416
3-MethylbutanoateIsovaleric acidME304413-C0826215.20819689101.0622534
3PG3-Phosphoglyceric acidME304414-C0019710.30173029184.9865865
3-UreidopropionateUreidopropionic acidME304415-C0264215.07533894131.0470753
4-Acetylbutyrate5-Ketocaproic acidME304416-C0212915.34222733129.0561873
5-OxoprolinePyroglutamic acidME304417-C0187914.75489031128.0363403
Acetyl CoAAcetyl-CoAME304356-C0002413.87707687403.5573678
AdipateAdipic acidME304357-C0610411.36085954145.0520342
ADP-riboseADP-riboseME304358-C0030116.35694961558.0648944
AMPAMPME304359-C0002015.01315423346.056478
ArgininosuccinateArgininosuccinic acidME304360-C0340613.58560369291.1303056
AzelateAzelaic acidME304361-C0826112.53259786187.0984972
ButyrateButyric acidME304362-C0024614.3206968587.0469993
CholateCholic acidME304363-C0069522.54752285407.2812254
cis-Aconitatecis-Aconitic acidME304364-C004179.537733373173.0100147
CitraconateCitraconic acidME304365-C0222610.76587109129.0203792
CitramalateCitramalic acidME304366-C0261410.70301385147.0310314
CitrateCitric acidME304367-C001589.694615102191.0206168
CMPCMPME304368-C0005514.60144333322.0459069
CysteateCysteic acidME304369-C0050612.91908212167.9981728
DCADeoxycholic acidME304370-C0448324.10437947391.2865339
DodecanedioateDodecanedioic acidME304371-C0267813.54712723229.1456585
dTMPdTMPME304372-C0036414.63410888321.0496451
F6PFructose 6-phosphateME304373-C0008514.16853552259.0230457
FumarateFumaric acidME304374-C001229.720723364115.0051686
G1PGlucose 1-phosphateME304375-C0010313.99673009259.0226418
G6PGlucose 6-phosphateME304376-C0009214.28433351259.0232401
GlutarateGlutaric acidME304377-C0048910.80346491131.0361122
GlycerateGlyceric acidME304378-C0025813.76586422105.0202164
GlycolateGlycolic acidME304379-C0016012.2024244975.01102306
Isethionate2-HydroxyethanesulfonateME304380-C0512312.75468103124.9930287
IsocitrateIsocitric acidME304381-C003119.496975539191.0203597
LactateLactic acidME304382-C0018613.4415808889.02599458
MalateMalic acidME304383-C0071110.09239897133.0155257
MalonateMalonic acidME304384-C003839.32385843103.0049726
N-AcetylaspartateN-Acetylaspartic acidME304385-C0104211.4276219174.0419153
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME304386-C0450114.66588763300.0496328
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME304387-C0035715.18363215300.0497025
N-AcetylglutamateN-Acetylglutamic acidME304388-C0062411.96163698188.0573847
NAD+NAD+ME304389-C0000323.95930382662.1034901
NADP+NADP+ME304390-C0000614.84386311742.0709082
NicotinateNicotinic acidME304391-C0025314.28713464122.0259198
O-PhosphoserinePhosphoserineME304392-C0100512.39345642184.0034299
PentanoateValeric acidME304393-C0080315.07339055101.06225
PhenaceturatePhenylacetylglycineME304394-C0559817.04654216192.0664673
PhthalatePhthalic acidME304395-C0160611.22107407165.0204059
PimelatePimelic acidME304396-C0265611.78089078159.0670603
Proline betaineProline betaineME304397-C1017216.51927334144.1016974
PropionatePropionic acidME304398-C0016313.2994922573.03149049
Ru5PRibulose 5-phosphateME304399-C0019913.23072262229.0119685
S7PSedoheptulose 7-phosphateME304400-C0538214.56027953289.0330251
SebacateSebacic acidME304401-C0827712.86792141201.1143264
SuccinateSuccinic acidME304402-C0004210.14818667117.0209658
TaurocholateTaurocholic acidME304403-C0512223.35428038514.2856725
UDPUDPME304404-C0001512.7430185402.9958618
UMPUMPME304405-C0010514.31016999323.0293251
UrateUric acidME304406-C0036615.59530285167.0232932


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