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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
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME827778----
2-Aminomuconate2-Aminomuconic acidME827796----
2-Oxoglutarate2-Oxoglutaric acidME827785----
3',5'-Cyclic AMP3',5' cyclic AMPME827767----
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME827792----
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME827810----
ADP-D-riboseADP-riboseME827769----
CitrateCitric acidME827784----
Decanoic acid (caprate)Capric acidME827801----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME827776----
D-GlucoseGlucoseME827775----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME827777----
DimethylglycineDimethylglycineME827791----
DiphosphatePyrophosphateME827774----
Dodecanedioic acidDodecanedioic acidME827809----
Dodecanoic acidLauric acidME827802----
D-RiboseRiboseME827783----
Flavin mononucleotideFMNME827770----
FumarateFumaric acidME827787----
GlutathioneGlutathioneME827789----
Glutathione disulfideOxidized glutathioneME827790----
Heptanoic acidHeptylic acidME827798----
Hexadecanoic acidPalmitic acidME827804----
Hexadecenoic acidHexadecenoic acidME827806----
Hexanoic acid (caproate)Caproic acidME827797----
LactateLactic acidME827780----
LinoleateLinoleic acidME827808----
MalateMalic acidME827788----
MaltoseMaltoseME827781----
MannitolMannitolME827782----
N-AcetylneuraminateN-Acetylneuraminic acidME827793----
NAD+NADME827771----
NADHNADHME827772----
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME827794----
Nonanoic acid (pelargonate)Pelargonic acidME827800----
Octadecanoic acidStearic acidME827805----
Octadecenoic acidOctadecenoic acidME827807----
Octanoic acid (caprylate)Caprylic acidME827799----
PhosphatePhosphoric acidME827773----
PyruvatePyruvic acidME827779----
SuccinateSuccinic acidME827786----
Tetradecanoic acidMyristic acidME827803----
ThiocysteineThiocysteineME827795----
UDP-glucoseUDP-glucoseME827768----


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
2-OxoadipateOxoadipic acidME827853----
5-OxoprolinePyroglutamic acidME827835----
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME827848----
AcetylcholineAcetylcholineME827857----
acyl-C14 (O-tetradecanoyl-L-carnitine)CAR 14:0ME827866----
acyl-C18 (Octadecanoyl-L-carnitine)CAR 18:0ME827867----
acyl-C20-ME827868----
acyl-C20:4CAR 20:4ME827869----
acyl-C2 (acetyl-carnitine)CAR 2:0ME827860----
acyl-C3 (propionyl-carnitine)CAR 3:0ME827861----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME827862----
acyl-C4-DCCAR DC4:0ME827864----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME827863----
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME827865----
AdenosineAdenosineME827829----
AMPAMPME827828----
Anthranilate2-Aminobenzoic acidME827851----
CholineCholineME827858----
CMPCMPME827831----
CreatineCreatineME827840----
CreatinineCreatinineME827841----
Ethanolamine phosphatePhosphoethanolamineME827855----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME827837----
g-Oxalo-crotonate4-Oxalocrotonic acidME827852----
GuanidinoacetateGuanidoacetic acidME827843----
GuanineGuanineME827830----
HypoxanthineHypoxanthineME827832----
Indole-3-acetaldehydeIndoleacetaldehydeME827846----
Indole-3-acetateIndoleacetic acidME827847----
kynurenineKynurenineME827849----
L-AdrenalineEpinephrineME827854----
L-alanineAlanineME827811----
L-arginineArginineME827812----
L-asparagineAsparagineME827813----
L-aspartateAspartic acidME827814----
L-CarnitineCarnitineME827859----
L-CitrullineCitrullineME827839----
L-glutamateGlutamic acidME827815----
L-glutamineGlutamineME827816----
L-histidineHistidineME827817----
L-leucine/L-isoleucine-ME827818----
L-lysineLysineME827819----
L-methionineMethionineME827820----
L-phenylalaninePhenylalanineME827821----
L-prolineProlineME827822----
L-serineSerineME827823----
L-threonineThreonineME827824----
L-tryptophanTryptophanME827825----
L-tyrosineTyrosineME827826----
L-valineValineME827827----
N-Acetyl-L-citrullineN-AcetylcitrullineME827842----
N-formyl kynurenineN-FormylkynurenineME827850----
NicotinamideNiacinamideME827834----
OrnithineOrnithineME827838----
PantothenolPantothenolME827844----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME827836----
SphingosineSphingosineME827856----
TaurineTaurineME827845----
UrateUric acidME827833----


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