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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
SpermidineSpermidineME166014--0.5146.1652
Acetyl-L-LeucineN-AcetylleucineME166018--4.7174.1125
Cyclo(leucylprolyl)-ME166017--4.5211.1441
Sebacic acidSebacic acidME166025--6.4225.1097
cis-Resveratrolcis-ResveratrolME166024--6.2229.0859
trans-ResveratrolResveratrolME166021--5.5229.0859
NaproxenNaproxenME166026--7.4231.1016
Leucyl-leucineLeu-LeuME166015--3.3245.186
OleamideOleamideME166047--12.9282.2791
OctanoylcarnitineCAR 8:0ME166022--5.8288.2169
Palmitoyl-EAPalmitoyl-EAME166044--12.5300.2897
Sphingosine (d18:1)SphingosineME166030--9.5300.2897
Sphinganine (d18:0)SphinganineME166033--9.9302.3054
EstriolEstriolME166023--6311.1618
DodecanoylcarnitineCAR 12:0ME166028--7.8344.2795
1-linoleoylglycerolMG 18:2ME166045--12.6355.2843
Chenodeoxycholic AcidChenodeoxycholic acidME166031--9.7357.2788
Deoxycholic acidDeoxycholic acidME166034--10357.2788
CholesterolCholesterolME166057--16369.35
Cholesterol sulfateCholesterol sulfateME166050--14.2369.3513
RiboflavinRiboflavinME166016--3.7377.1456
1-arachidonoylglycerolMG 20:4ME166046--12.6379.2843
Sphinganine-phosphate (d18:0)-ME166037--11382.2717
PalmitoylcarnitineCAR 16:0ME166035--10400.3421
?-Tocotrienol-ME166054--15.3424.3336
BudesonideBudesonideME166027--7.6431.2428
gamma-Muricholic acidHyocholic acidME166029--8.3431.2768
SimvastatinSimvastatinME166036--10.5441.2611
Lovastatin Hydroxy AcidMevinolinic acidME166032--9.8445.2561
Phe-Ala-Phe-Ala-ME166019--4.8455.2289
LysoPC(16:0)LPC 16:0ME166038--11.3496.3398
2-O-methyl PAF C16-ME166041--12.1496.3762
2-O-ethyl PAF C-16-ME166043--12.4510.3918
LysoPC(18:0)LPC 18:0ME166042--12.1524.3711
PAF C-16-ME166040--11.9524.3711
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME166067--17.3548.5392
Butanoyl-PAF-ME166048--12.9552.4024
PAF C-18-ME166049--13.1552.4024
POV-PCPOV-PCME166039--11.4594.3765
SM(d18:1/12:0)SM 18:1;O2/12:0ME166052--14.5647.5123
PC(14:0/14:0) or PC(16:0/12:0)PC 28:0ME166053--15678.5068
PE(16:0/18:2)PE 16:0/18:2ME166058--16.2716.5225
SM(d18:1/18:1)SM 18:1;O2/18:1ME166055--15.8729.5905
SM(d18:1/18:0)SM 18:1;O2/18:0ME166062--16.5731.6062
PC(18:0/14:0) or PC(16:0/16:0)PC 32:0ME166059--16.3734.5694
Thioetheramide-PCThioetheramide PCME166063--16.5735.5833
PC(16:0/18:1)PC 16:0/18:1ME166065--16.7760.5851
Eicosapentaenoyl PAF C-16-ME166061--16.3766.5745
ArachidonoylPAF-C16-ME166064--16.6768.5902
PC(18:1/18:1)PC 18:1/18:1ME166066--16.8786.6007
Docosahexaenoyl PAF C-16-ME166060--16.3792.5902
LacCer(d18:1/12:0)LacCer 18:1;O2/12:0ME166051--14.4806.5624
SM(d18:1/24:0)SM 18:1;O2/24:0ME166068--17.8815.7001
LacCer(d18:1/16:0)LacCer 18:1;O2/16:0ME166056--15.9862.625
HWESASXX-ME166020--5942.468


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Salicylic acidSalicylic acidME166081--5.8137.0244
Indole-3-carboxylic acidIndole-3-carboxylic acidME166082--6.3160.0404
m-Coumaric acidtrans-m-Coumaric acidME166079--5.3163.0401
Vanillic acidVanillic acidME166070--2.8167.035
Acetyl-L-LeucineN-AcetylleucineME166076--4.6172.0979
Caffeic acidCaffeic acidME166072--2.9179.035
Sebacic acidSebacic acidME166083--6.4201.1132
Dimethylallylaminopurine-ME166075--4.4202.1098
3,4-Dimethoxycinnamic acid3-(3,4-Dimethoxyphenyl)-2-propenoic acidME166080--5.6207.0663
N-Acetyl-L-tyrosineN-AcetyltyrosineME166069--1.5222.0772
Dodecanedioic acidDodecanedioic acidME166086--7.6229.1445
BiotinBiotinME166071--2.9243.0809
Leucyl-leucineLeu-LeuME166073--3.3243.1714
Palmitic acidPalmitic acidME166111--13.8255.233
?-Linolenic AcidOctadecatrienoic acidME166105--12.9277.2173
Stearic acidStearic acidME166114--14.8283.2643
17?-Ethinyl estradiol-ME166085--7.5295.1704
Arachidonic AcidArachidonic acidME166108--13.4303.233
Dihomo-?-Linolenic AcidDihomo-gamma-linolenic acidME166110--13.8305.2486
Docosahexaenoic acidDocosahexaenoic acidME166107--13.4327.233
Adrenic AcidAdrenic acidME166112--14.2331.2643
N-palmitoyl taurineN-Palmitoyl taurineME166097--11.1362.2371
Dehydroepiandrostero?ne sulfateDehydroepiandrosterone sulfateME166084--6.5367.1585
RiboflavinRiboflavinME166074--3.5375.131
Sphingosine-1-phosphate (d18:1)Sphingosine 1-phosphateME166095--10.5378.2415
Sphinganine-phosphate (d18:0)-ME166096--10.8380.2571
Chenodeoxycholic AcidChenodeoxycholic acidME166092--9.6391.2854
Deoxycholic acidDeoxycholic acidME166094--9.9391.2854
Hyodeoxycholic acidHyodeoxycholic acidME166091--8.6391.2854
Murocholic acidMurideoxycholic acidME166088--8.1391.2854
Ursodeoxycholic acidUrsodeoxycholic acidME166090--8.4391.2854
gamma-Muricholic acidHyocholic acidME166089--8.2407.2803
LysoPA(16:0)LPA 16:0ME166099--11.7409.2361
Glycolithocholic acidGlycolithocholic acidME166093--9.6432.3119
1-Oleoyl Lysophosphatidic Acid-ME166102--12435.2517
Cholesterol sulfateCholesterol sulfateME166109--13.8465.3044
Taurodeoxycholic acidTaurodeoxycholic acidME166087--7.9498.2895
LysoPC(16:0)LPC 16:0ME166098--11.2540.3307
2-O-methyl PAF C-16-ME166100--11.9540.3671
Cer(d18:1/14:0)Cer 18:1;O2/14:0ME166120--16.2554.479
LysoPC(18:0)LPC 18:0ME166103--12.3568.362
PAF C-16-ME166101--11.9568.362
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME166128--16.7582.5103
Dihydro Cer (d18:0/16:0)-ME166130--16.9584.5259
Butanoyl-PAF-ME166104--12.7596.3933
PAF C-18-ME166106--13596.3933
Cer(d18:0/22:0)Cer 18:0;O2/22:0ME166133--18666.6042
SM(d18:1/12:0)SM 18:1;O2/12:0ME166113--14.3691.5032
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME166132--18692.6198
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME166134--18.3694.6355
PE(16:0/18:2)PE 16:0/18:2ME166121--16.3714.5079
PE(18:1/18:1)PE 18:1/18:1ME166129--16.7742.5392
GlcCer(d18:1/16:0)GlcCer 18:1;O2/16:0ME166118--16.1744.5631
SM(d18:1/16:0)SM 18:1;O2/16:0ME166115--15.7747.5658
SM(d18:1/18:1)SM 18:1;O2/18:1ME166117--15.9773.5814
SM(d18:1/18:0)SM 18:1;O2/18:0ME166122--16.3775.5971
PC(16:0/16:0) OR PC(18:0/14:0)PC 32:0ME166123--16.4778.5604
PC(16:0/18:1)PC 16:0/18:1ME166125--16.4804.576
Eicosapentaenoyl PAF C-16-ME166119--16.2810.5654
Arachidonoyl PAF C-16-ME166126--16.5812.5811
PC(18:1/18:1)PC 18:1/18:1ME166127--16.6830.5917
Docosahexaenoyl PAF C-16-ME166124--16.4836.5811
SM(d18:1/24:0)SM 18:1;O2/24:0ME166131--17.7859.691
BradykininBradykininME166077--5902.453
LacCer(d18:1/16:0)LacCer 18:1;O2/16:0ME166116--15.7906.6159
HWESASXX-ME166078--5.1940.4534


Analysis: HILIC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Beta-alanine methyl ester-ME166192--7.06104.0706
DimethylglycineDimethylglycineME166198--7.25104.0706
Gamma-aminobutyrategamma-Aminobutyric acidME166211--7.76104.0706
SerineSerineME166228--8.67106.0499
HypotaurineHypotaurineME166213--7.87110.027
CytosineCytosineME166230--8.7112.0505
UracilUracilME166148--2.59113.0346
CreatinineCreatinineME166214--7.94114.0662
ProlineProlineME166199--7.26116.0706
Threonine /HomoserineThreonine/HomoserineME166219--8.17120.0655
NicotinamideNiacinamideME166151--3.12123.0553
ErythritolErythritolME166167--5.11123.0652
Nicotinic acidNicotinic acidME166145--1.97124.0393
TaurineTaurineME166203--7.44126.0219
Na-methylhistamine-ME166242--15.23126.1026
ThymineThymineME166144--1.95127.0502
PyroglutamatePyroglutamic acidME166147--2.57130.0499
PipecolatePipecolic acidME166195--7.14130.0863
N-AcetylputrescineN-AcetylputrescineME166226--8.56131.1179
3-Hydroxyprolinecis-3-HydroxyprolineME166218--8.12132.0655
4-Hydroxyprolinecis-4-HydroxyprolineME166212--7.81132.0655
5-aminolevulinic acid5-Amino-levulinic acidME166225--8.56132.0655
CreatineCreatineME166204--7.44132.0768
PhosphocreatinePhosphocreatineME166208--7.7132.0768
AminocaproateAminocaproic acidME166196--7.15132.1019
LeucineLeucineME166176--6.05132.1019
AsparagineAsparagineME166229--8.67133.0608
OrnithineOrnithineME166239--12.49133.0972
AspartateAspartic acidME166220--8.17134.0448
AdenineAdenineME166197--7.17136.0618
OctopamineOctopamineME166205--7.57136.0757
2-DeoxyinosineDeoxyinosineME166164--4.69137.0457
HypoxanthineHypoxanthineME166161--4.61137.0458
MethylpicolinateMethyl picolinateME166138--1.06138.055
Ethanolamine phosphatePhosphoethanolamineME166180--6.18142.02637
EctoineEctoineME166190--6.85143.0815
TryptamineTryptamineME166178--6.1144.0808
GlutamineGlutamineME166224--8.52147.0764
LysineLysineME166240--12.5147.1128
GlutamateGlutamic acidME166217--8.06148.0604
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME166202--7.4148.0604
PyridoxalPyridoxalME166166--4.94150.055
MethionineMethionineME166187--6.73150.0583
GuanineGuanineME166194--7.11152.0567
AcetaminophenAcetaminophenME166141--1.82152.0706
NoradrenalineXi-NorepinephrineME166233--9.31152.0706
PhenylglycinePhenylglycineME166184--6.41152.0706
AlloxanthineOxypurinolME166157--4.27153.0407
XanthineXanthineME166159--4.47153.0407
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME166146--1.98154.0499
HistidineHistidineME166237--11.82156.0768
AllantoinAllantoinME166175--6.01159.0513
SerotoninSerotoninME166215--7.99160.07569
CarnitineCarnitineME166210--7.72162.1125
NicotineNicotineME166232--9.04163.12297
7-Methylguanine7-MethylguanineME166186--6.62166.0723
Adrenaline(Epinephrine)-ME166227--8.61166.0863
PhenylalaninePhenylalanineME166173--5.96166.0863
3-Methylxanthine3-MethylxanthineME166149--2.6167.0564
Uric acidUric acidME166172--5.87169.0356
2-Furoylglycine2-FuroylglycineME166139--1.46170.0448
3-Methyl-L-histidine3-MethylhistidineME166238--12.03170.0924
Pro-GlyPro-GlyME166209--7.71173.0921
CitrullineCitrullineME166231--8.89176.103
CotinineCotinineME166168--5.16177.1022
GlucosamineGlucosamineME166160--4.49179.055
ParaxanthineParaxanthineME166142--1.84181.072
Theobromine /Theophylline-ME166140--1.76181.072
TyrosineTyrosineME166200--7.28182.0812
1-Methyluric acid1-Methyluric acidME166163--4.66183.0513
4-Pyridoxic acid4-Pyridoxic acidME166156--4.14184.0604
PyroglutamylglycinePyroglutamylglycineME166158--4.32187.0713
Kynurenic acidKynurenic acidME166152--3.26190.0499
N-AcetylglutamateN-Acetylglutamic acidME166154--3.71190.071
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME166153--3.62192.0655
MethylhippurateMethyl hippurateME166136--1.05194.0812
CaffeineCaffeineME166137--1.06195.0877
Benzylserine-ME166171--5.46196.0968
1,7-Dimethylurate1,7-Dimethyluric acidME166155--3.78197.0669
GlucoseGlucoseME166191--6.86203.0526
Alanyl-LeucineAla-LeuME166185--6.54203.1416
Assymetrical dimethylarginine-ME166236--11.4203.1503
TryptophanTryptophanME166182--6.3205.0972
KynurenineKynurenineME166179--6.11209.0921
137-Trimethyluric acid1,3,7-Trimethyluric acidME166143--1.87211.0826
5-Hydroxytryptophan5-Hydroxy-tryptophanME166206--7.58221.0921
CystathionineCystathionineME166235--10.45223.075
3-Hydroxy-kynurenineHydroxykynurenineME166189--6.82225.087
NitrotyrosineNitrotyrosineME166177--6.1227.0662
CarnosineCarnosineME166241--13.15227.1139
Proline-HydroxyprolinePro-hydroxyProME166222--8.4229.1183
BiopterinBiopterinME166174--6.01238.0935
SepiapterinSepiapterinME166162--4.63238.0935
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME166150--2.63265.1183
AdenosineAdenosineME166183--6.38268.104
InosineInosineME166169--5.27269.088
N-AcetylcarnosineN-AcetylcarnosineME166221--8.38269.1244
GuanosineGuanosineME166181--6.2284.0989
XanthosineXanthosineME166170--5.36285.083
MethylthioadenosineMethylthioadenosineME166165--4.81298.0968
AMPAMPME166223--8.41348.0704
CortisoneCortisoneME166135--1.05361.201
SucroseSucroseME166201--7.32365.1054
S-AdenosylhomocysteineS-AdenosylhomocysteineME166234--10.07385.1289
BetaineBetaineME166193--7.158.0654
ValineValineME166188--6.7972.0808
AlanineAlanineME166216--8.0690.055
SarcosineSarcosineME166207--7.6790.055


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-Hydroxybutyrate3-Hydroxybutyric acidME166250--3.77103.0401
CytosineCytosineME166260--5.35110.036
ProlineProlineME166267--7.34114.0561
Cyanuric acidCyanuric acidME166251--4.08128.0102
PipecolatePipecolic acidME166266--7.14128.0717
Mesaconic acidMesaconic acidME166257--4.89129.0193
IsoleucineIsoleucineME166264--6.33130.0874
N-methyl-D-Aspartic acidN-Methyl-D-aspartic acidME166261--5.77146.0459
O-acetylserineO-AcetylserineME166263--6.12146.0459
AlloxanthineOxypurinolME166253--4.32151.0261
XanthineXanthineME166255--4.56151.0261
HydroxyphenylacetateHydroxyphenyl acetateME166248--3.42151.0401
Mandelic acidMandelic acidME166244--1.35151.0401
AllantoinAllantoinME166262--6.06157.0367
PhenyllactatePhenyllactic acidME166252--4.1165.0557
Uric acidUric acidME166258--4.95167.0211
HippurateHippuric acidME166245--1.84178.051
4-Pyridoxic acid4-Pyridoxic acidME166243--0.73182.0459
MaltoseMaltoseME166247--2.29188.0365
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME166254--4.4190.051
1,7-dimethylurate1,7-Dimethyluric acidME166249--3.74195.0524
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME166259--5.21197.0699
1,3,7-trimethyluric acid1,3,7-Trimethyluric acidME166246--1.99209.068
UridineUridineME166256--4.68243.0623
3,4-Dehydro-inosine-ME166265--6.97247.0473
S-AdenosylmethionineS-AdenosylmethionineME166268--7.58383.1143


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