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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
3-ketosphinganine3-KetosphinganineME540504----
CampesterolCampesterolME540505----
CholesterolCholesterolME540506----
PC(14:0/0:0)LPC 14:0/0:0ME540514----
PC(16:0/0:0)LPC 16:0/0:0ME540515----
PC(18:2/0:0)LPC 18:2/0:0ME540516----
PE(14:0/0:0)LPE 14:0/0:0ME540518----
PE(15:0/0:0)LPE 15:0/0:0ME540519----
PE(17:0/0:0)LPE 17:0/0:0ME540520----
PE(17:1/0:0)LPE 17:1/0:0ME540521----
PE (18:1/0:0)LPE 18:1/0:0ME540517----
PG(16:0/0:0)LPG 16:0/0:0ME540522----
L-LysineLysineME540508----
OleamideOleamideME540512----
Palmitic amidePalmitamideME540513----
L-ProlineProlineME540509----
SitosterolSitosterolME540523----
SpermidineSpermidineME540524----
SphinganineSphinganineME540525----
SphingosineSphingosineME540526----
L-TyrosineTyrosineME540511----
D-erythro-Sphingosine C-20-ME540507----
L-threo-Sphingosine C-18-ME540510----


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
2-hydroxystearic acid2-Hydroxystearic acidME540537----
Cholic acidCholic acidME540535----
Eicosadienoic AcidEicosadienoic acidME540527----
?-Aminobutryic acidgamma-Aminobutyric acidME540529----
L-glutamic acidGlutamic acidME540528----
GlutamineGlutamineME540530----
hydroxy hexadecanoic acidHydroxyhexadecanoic acidME540536----
LPC(14:0)LPC 14:0ME540531----
LPC-16:0LPC 16:0ME540538----
LPE(14:0)LPE 14:0ME540545----
PG(16:0/0:0)LPG 16:0/0:0ME540540----
L-LysineLysineME540532----
OrnithineOrnithineME540546----
L-PhenylalaninePhenylalanineME540539----
Succinic acidSuccinic acidME540541----
TrehaloseTrehaloseME540544----
UridineUridineME540547----
Ursolic acidUrsolic acidME540533----
XanthineXanthineME540542----
12-methyl myristic acid-ME540548----
9(Z),11(E)-Conjugated Linoleic Acid-ME540543----
Betulonic acid-ME540534----


Analysis: CE 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
1-Methyladenosine1-MethyladenosineME540549----
N-Methylhistamine1-MethylhistamineME540585----
3-amino-octanoic acid3-Aminooctanoic acidME540550----
AdenineAdenineME540552----
AdenosineAdenosineME540553----
AllantoinAllantoinME540554----
Aminooctanoic acidAminooctanoic acidME540555----
L-ArginineArginineME540566----
L-AsparagineAsparagineME540567----
L-Aspartic acidAspartic acidME540568----
BetaineBetaineME540557----
Acetyl-L-carnitineCAR 2:0ME540551----
L-CarnitineCarnitineME540569----
CitrullineCitrullineME540558----
Asymmetric dimethylarginineDimethylarginineME540556----
GlucosamineGlucosamineME540559----
L-Glutamic acidGlutamic acidME540571----
GlycylleucineGly-LeuME540560----
Glycyl-ValineGly-ValME540561----
GuanineGuanineME540562----
GuanosineGuanosineME540563----
L-HistidineHistidineME540572----
HypoxanthineHypoxanthineME540564----
InosineInosineME540565----
LeucylprolineLeu-ProME540570----
L-LysineLysineME540573----
L-MethionineMethionineME540574----
MethionineMethionineME540582----
L-Methionine sulfoneMethionine sulfoneME540575----
N-Acetylneuraminic acidN-Acetylneuraminic acidME540583----
Nicotinic acidNicotinic acidME540584----
OrnithineOrnithineME540586----
L-Pipecolic acidPipecolic acidME540576----
L-ProlineProlineME540577----
L-SerineSerineME540578----
Symmetric dimethylarginineSymmetric dimethylarginineME540587----
Trimethylamine N-oxideTrimethylamine N-oxideME540588----
L-TryptophanTryptophanME540579----
L-TyrosineTyrosineME540580----
L-ValineValineME540581----


Analysis: GC 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
2,3-Butanediol2,3-ButanediolME540591----
2-Hydroxybutyric Acid2-Hydroxybutyric acidME540594----
3,4-Dihydroxyphenyl Glycol3,4-DihydroxyphenylglycolME540596----
3-Hydroxybutyric Acid3-Hydroxybutyric acidME540598----
2-Ethylhexanoic Acidalpha-Ethylcaproic acidME540593----
Arachidic AcidArachidic acidME540600----
Butanoic AcidButyric acidME540601----
1-HexadecanolCetyl alcoholME540590----
CholesterolCholesterolME540602----
2-DeoxyuridineDeoxyuridineME540592----
Fumaric AcidFumaric acidME540604----
Glyceric AcidGlyceric acidME540605----
GlycerolGlycerolME540606----
NeohesperidinHesperetin 7-neohesperidosideME540615----
2-Ketoisocaproic AcidKetoleucineME540595----
Malic AcidMalic acidME540609----
Malonic AcidMalonic acidME540610----
Phosphoric Acid, Monomethyl EsterMethanolphosphateME540616----
Methyl-Beta-D-GalactopyranosideMethyl beta-D-galactosideME540613----
Aceturic AcidN-AcetylglycineME540599----
N-Acetyl-D-MannosamineN-Acetyl-mannosamineME540614----
Pyruvic AcidPyruvic acidME540617----
RhamnoseRhamnoseME540618----
SerineSerineME540619----
Shikimic AcidShikimic acidME540620----
Succinic AcidSuccinic acidME540621----
Threonic AcidThreonic acidME540622----
TrehaloseTrehaloseME540623----
UridineUridineME540624----
Valeric AcidValeric acidME540625----
1,5-Anhydrohexitol-ME540589----
3-Deoxyhexitol-ME540597----
Fucose / 6-Deoxy-Glucose-ME540603----
Glycerol 1-Phosphate / Phosphoric Acid-ME540607----
Lyxose / Ribose-ME540608----
Methyl Docosanoate-ME540611----
Methyl Eicosanoate (Arachidic acid methyl ester)-ME540612----


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