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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-4-beta-D-Xylan-ME794421----
2',3'-Cyclic CMP2',3' cyclic CMPME794403----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME794417----
2-Oxoglutarate2-Oxoglutaric acidME794411----
6-Phospho-D-gluconate6-Phosphogluconic acidME794418----
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME794427----
AscorbateVitamin CME794419----
CitrateCitric acidME794410----
D-ArabitolArabitolME794409----
DehydroascorbateL-Dehydroascorbic acidME794420----
D-GlucoseGlucoseME794405----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME794406----
Docosahexaenoic acidDocosahexaenoic acidME794426----
FumarateFumaric acidME794413----
ItaconateItaconic acidME794416----
LactateLactic acidME794408----
LinoleateLinoleic acidME794424----
MalateD-Malic acidME794414----
Octadecatrienoic acidOctadecatrienoic acidME794425----
Octadecenoic acidOctadecenoic acidME794423----
OxaloacetateOxaloacetic acidME794415----
PhosphatePhosphoric acidME794404----
PyruvatePyruvic acidME794407----
(S)(+)-AllantoinAllantoinME794402----
SuccinateSuccinic acidME794412----
TaurineTaurineME794422----
UDPUDPME794401----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-Pyridoxate4-Pyridoxic acidME794457----
5-6-DihydrothymineDihydrothymineME794455----
5-Hydroxyisourate5-Hydroxyisouric acidME794454----
5-hydroxykynurenamine-ME794486----
5-Hydroxykynurenine-ME794485----
5-OxoprolinePyroglutamic acidME794460----
AcetylcholineAcetylcholineME794494----
acyl-C10:1 (O-Decenoyl-L-carnitine)CAR 10:1ME794509----
acyl-C10 (O-Decanoyl-L-carnitine)CAR 10:0ME794508----
acyl-C12:1 (O-dodecenoyl-carnitine)CAR 12:1ME794511----
acyl-C12 (O-dodecanoyl-carnitine)CAR 12:0ME794510----
acyl-C14:1 (Tetradecenoyl Carnitine)CAR 14:1ME794513----
acyl-C14 (O-tetradecanoyl-L-carnitine)CAR 14:0ME794512----
acyl-C16:1 (Hexadecenoyl-carnitine)CAR 16:1ME794514----
acyl-C18:1 (O-octadecenoyl-L-carnitine)CAR 18:1ME794515----
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME794516----
acyl-C2 (acetyl-carnitine)CAR 2:0ME794497----
acyl-C3 (propionyl-carnitine)CAR 3:0ME794498----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME794499----
acyl-C4-DCCAR DC4:0ME794500----
acyl-C5:1 (Tiglylcarnitine)CAR 5:1ME794502----
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME794501----
acyl-C5-OHCAR 5:0;OHME794503----
acyl-C6-DCCAR DC6:0ME794505----
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME794504----
acyl-C8:1 (octenoyl-l-carnitine)CAR 8:1ME794507----
acyl-C8 (L-octanoylcarnitineCAR 8:0ME794506----
AllantoateAllantoic acidME794453----
BilirubinBilirubinME794525----
BiliverdinBiliverdinME794524----
CholineCholineME794495----
CreatineCreatineME794470----
CreatinineCreatinineME794471----
CystathionineCystathionineME794462----
CytidineCytidineME794446----
CytosineCytosineME794447----
Dodecanedioic acidDodecanedioic acidME794523----
Dodecanoic acidLauric acidME794520----
DopamineDopamineME794488----
EctoineEctoineME794489----
Ethanolamine phosphatePhosphoethanolamineME794490----
Formyl-5-hydroxy-kynurenamineFormyl-5-hydroxykynurenamineME794484----
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME794461----
glycineGlycineME794434----
g-Oxalo-crotonate4-Oxalocrotonic acidME794483----
GuanidinoacetateGuanidoacetic acidME794473----
GuanineGuanineME794445----
Heptanoic acidHeptylic acidME794518----
Hexadecenoic acidHexadecenoic acidME794522----
HypoxanthineHypoxanthineME794451----
IDPIDPME794449----
IndoleIndoleME794478----
Indole-3-acetaldehydeIndoleacetaldehydeME794479----
IndolepyruvateIndolepyruvateME794480----
IndoxylIndoxylME794481----
InosineInosineME794450----
kynurenineKynurenineME794482----
L-AdrenalineEpinephrineME794487----
L-alanineAlanineME794428----
L-arginineArginineME794429----
L-asparagineAsparagineME794430----
L-aspartateAspartic acidME794431----
L-CarnitineCarnitineME794496----
L-CitrullineCitrullineME794466----
L-cystineCystineME794444----
L-glutamateGlutamic acidME794432----
L-glutamineGlutamineME794433----
L-histidineHistidineME794435----
L-leucineLeucineME794436----
L-lysineLysineME794437----
L-methionineMethionineME794438----
L-Methionine S-oxideMethionine sulfoxideME794477----
L-prolineProlineME794439----
L-serineSerineME794440----
L-threonineThreonineME794441----
L-tyrosineTyrosineME794442----
L-valineValineME794443----
N-AcetylneuraminateN-Acetylneuraminic acidME794468----
N-AcetylornithineN-AcetylornithineME794472----
NicotinamideNiacinamideME794459----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME794491----
Octanoic acid (caprylate)Caprylic acidME794519----
OrnithineOrnithineME794465----
PantetheinePantetheineME794476----
PantothenolPantothenolME794475----
Pentanoate (valerate)Valeric acidME794517----
PhosphocreatinePhosphocreatineME794469----
PhosphoserinePhosphoserineME794463----
PyridoxalPyridoxalME794456----
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME794458----
S-Adenosyl-L-methionineS-AdenosylmethionineME794464----
SpermidineSpermidineME794467----
SphingosineSphingosineME794492----
Sphingosine 1-phosphateSphingosine 1-phosphateME794493----
Tetradecenoic acidTetradecenoic acidME794521----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME794474----
UracilUracilME794448----
XanthineXanthineME794452----


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