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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
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME704713----
1-4-beta-D-Xylan-ME704736----
1D-myo-Inositol 1-4-bisphosphate-ME704740----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME704714----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME704727----
2-Oxoglutarate2-Oxoglutaric acidME704721----
3',5'-Cyclic IMP3',5' cyclic IMPME704706----
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME704732----
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME704733----
5-Hydroxyisourate5-Hydroxyisouric acidME704705----
5-OxoprolinePyroglutamic acidME704729----
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME704728----
ADPADPME704699----
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME704756----
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME704757----
AscorbateVitamin CME704730----
ATPATPME704698----
Butanoic/Butyric acidButyric acidME704742----
CitrateCitric acidME704720----
CTPCTPME704700----
D-ArabitolArabitolME704719----
Decanoic acid (capric acid)Capric acidME704747----
DehydroascorbateL-Dehydroascorbic acidME704731----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME704711----
D-GlucoseGlucoseME704709----
D-Glucose 6-phosphateGlucose 6-phosphateME704710----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME704712----
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...Dihomo-gamma-linolenic acidME704760----
DihydrofolateDihydrofolic acidME704734----
DiphosphatePyrophosphateME704708----
Docosahexaenoic acidDocosahexaenoic acidME704758----
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...DPAME704761----
Dodecanoic acid (lauric acid)Lauric acidME704748----
D-RiboseRiboseME704718----
Eicosapentaenoic acidEicosapentaenoic acidME704759----
Ethanolamine phosphatePhosphoethanolamineME704741----
FumarateFumaric acidME704723----
Heptanoic acidHeptylic acidME704744----
Hexadecanoic acid (palmitic acid)Palmitic acidME704750----
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME704753----
IDPIDPME704703----
InosineInosineME704704----
ItaconateItaconic acidME704726----
LactateLactic acidME704716----
L-aspartateAspartic acidME704697----
L-CysteateCysteic acidME704739----
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME704755----
L-SelenomethionineSelenomethionineME704738----
MalateMalic acidME704725----
MannitolMannitolME704717----
Nonanoic acid (pelargonic acid)Pelargonic acidME704746----
Octadecanoic acid (stearic acid)Stearic acidME704751----
Octadecenoic acid (Oleic acid)Oleic acidME704754----
Octanoic acid (caprylic acid)Caprylic acidME704745----
OrnithineOrnithineME704735----
OxaloacetateOxaloacetic acidME704724----
Pentanoate (valerate)Valeric acidME704743----
PhosphatePhosphoric acidME704707----
PyruvatePyruvic acidME704715----
SuccinateSuccinic acidME704722----
TaurineTaurineME704737----
Tetradecanoic acid (myristic acid)Myristic acidME704749----
Tetradecenoic acid (myristoleic acid)Myristoleic acidME704752----
ThymidineThymidineME704701----
UDPUDPME704702----


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
AcetylcarnitineCAR 2:0ME704812----
AcetylcholineAcetylcholineME704797----
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME704809----
acyl-C18:2-OHCAR 18:2;OHME704810----
acyl-C20:4CAR 20:4ME704811----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME704802----
AllantoateAllantoic acidME704780----
AMPAMPME704778----
BiliverdinBiliverdinME704827----
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME704801----
CholineCholineME704798----
CreatineCreatineME704786----
CreatinineCreatinineME704787----
CytidineCytidineME704779----
DecanoylcarnitineCAR 10:0ME704819----
Dimethylheptanoyl carnitineCAR 7:0;2Me,6MeME704816----
Dimethylnonanoyl carnitineCAR 11:0ME704821----
EctoineEctoineME704794----
GlutathioneGlutathioneME704783----
GuanidinoacetateGuanidoacetic acidME704788----
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME704807----
HexanoylcarnitineCAR 6:0ME704815----
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME704803----
HexenoylcarnitineCAR 6:1ME704814----
Hydroxydecanoyl carnitineCAR 10:0;OHME704822----
Hydroxyhexadecanoyl carnitineCAR 16:0;OHME704826----
Hydroxynonanoyl carnitineCAR 9:0;OHME704820----
Hydroxyoctanoyl carnitineCAR 8:0;OHME704818----
Hydroxytetradecanoyl carnitineCAR 14:0;OHME704825----
IndoleIndoleME704792----
IsovalerylcarnitineCAR 4:0;3MeME704813----
L-AdrenalineEpinephrineME704793----
L-alanineAlanineME704762----
L-arginineArginineME704763----
L-asparagineAsparagineME704764----
L-CarnitineCarnitineME704799----
L-glutamateGlutamic acidME704765----
L-glutamineGlutamineME704766----
L-histidineHistidineME704767----
L-leucineLeucineME704768----
L-lysineLysineME704769----
L-methionineMethionineME704770----
L-Methionine S-oxideMethionine sulfoxideME704791----
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME704806----
L-phenylalaninePhenylalanineME704771----
L-prolineProlineME704772----
L-serineSerineME704773----
L-threonineThreonineME704774----
L-tryptophanTryptophanME704775----
L-tyrosineTyrosineME704776----
L-valineValineME704777----
NicotinamideNiacinamideME704781----
Nicotinate ribonucleotideNicotinic acid mononucleotideME704782----
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME704808----
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME704804----
PantetheinePantetheineME704790----
PantothenatePantothenic acidME704789----
PentadecanoylcarnitineCAR 15:0ME704824----
PimelylcarnitineCAR DC7:0ME704817----
propionyl-carnitine (acyl-C3)CAR 3:0ME704800----
SpermidineSpermidineME704784----
SpermineSpermineME704785----
SphingosineSphingosineME704795----
Sphingosine 1-phosphateSphingosine 1-phosphateME704796----
TetradecanoylcarnitineCAR 14:0ME704823----
Tetradecenoyl Carnitine (acyl-C14:1)CAR 14:1ME704805----


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