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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 phosphateME704580----
1-4-beta-D-Xylan-ME704602----
1D-myo-Inositol 1-4-bisphosphate-ME704605----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME704581----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME704591----
2-Oxoglutarate2-Oxoglutaric acidME704587----
3',5'-Cyclic IMP3',5' cyclic IMPME704571----
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME704598----
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME704599----
5-Hydroxyisourate5-Hydroxyisouric acidME704569----
5-OxoprolinePyroglutamic acidME704595----
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME704593----
ADPADPME704561----
ADP-D-riboseADP-riboseME704573----
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME704621----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME704592----
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME704622----
AscorbateVitamin CME704596----
ATPATPME704560----
Butanoic/Butyric acidButyric acidME704607----
CitrateCitric acidME704586----
CTPCTPME704563----
Decanoic acid (capric acid)Capric acidME704612----
DehydroascorbateL-Dehydroascorbic acidME704597----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME704578----
D-GlucoseGlucoseME704576----
D-Glucose 6-phosphateGlucose 6-phosphateME704577----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME704579----
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...Dihomo-gamma-linolenic acidME704625----
DihydrofolateDihydrofolic acidME704600----
DiphosphatePyrophosphateME704575----
Docosahexaenoic acidDocosahexaenoic acidME704623----
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...DPAME704626----
Dodecanoic acid (lauric acid)Lauric acidME704613----
D-RiboseRiboseME704585----
Eicosapentaenoic acidEicosapentaenoic acidME704624----
Ethanolamine phosphatePhosphoethanolamineME704606----
FumarateFumaric acidME704589----
Glutathione disulfideOxidized glutathioneME704594----
GMPGMPME704562----
Heptanoic acidHeptylic acidME704609----
Hexadecanoic acid (palmitic acid)Palmitic acidME704615----
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME704618----
IDPIDPME704567----
LactateLactic acidME704583----
L-aspartateAspartic acidME704559----
L-CysteateCysteic acidME704604----
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME704620----
MalateMalic acidME704590----
MannitolMannitolME704584----
Nonanoic acid (pelargonic acid)Pelargonic acidME704611----
Octadecanoic acid (stearic acid)Stearic acidME704616----
Octadecenoic acid (Oleic acid)Oleic acidME704619----
Octanoic acid (caprylic acid)Caprylic acidME704610----
OrnithineOrnithineME704601----
Pentanoate (valerate)Valeric acidME704608----
PhosphatePhosphoric acidME704574----
PyruvatePyruvic acidME704582----
SuccinateSuccinic acidME704588----
TaurineTaurineME704603----
Tetradecanoic acid (myristic acid)Myristic acidME704614----
Tetradecenoic acid (myristoleic acid)Myristoleic acidME704617----
ThymidineThymidineME704564----
UDPUDPME704565----
UDP-glucoseUDP-glucoseME704572----
UMPUMPME704566----
UrateUric acidME704570----
XanthineXanthineME704568----


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 2:0ME704679----
AcetylcholineAcetylcholineME704663----
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME704677----
acyl-C20:4CAR 20:4ME704678----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME704669----
AllantoateAllantoic acidME704645----
AMPAMPME704643----
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME704668----
CholineCholineME704664----
CreatineCreatineME704651----
CreatinineCreatinineME704652----
CytidineCytidineME704644----
DecanoylcarnitineCAR 10:0ME704686----
Dimethylheptanoyl carnitineCAR 7:0;2Me,6MeME704683----
Dimethylnonanoyl carnitineCAR 11:0ME704688----
EctoineEctoineME704660----
GlutathioneGlutathioneME704648----
GuanidinoacetateGuanidoacetic acidME704653----
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME704675----
HexanoylcarnitineCAR 6:0ME704682----
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME704670----
HexenoylcarnitineCAR 6:1ME704681----
Hydroxydecanoyl carnitineCAR 10:0;OHME704689----
Hydroxydodecanoyl carnitineCAR 12:0;OHME704690----
Hydroxyhexadecanoyl carnitineCAR 16:0;OHME704696----
Hydroxynonanoyl carnitineCAR 9:0;OHME704687----
Hydroxyoctanoyl carnitineCAR 8:0;OHME704685----
Hydroxytetradecanoyl carnitineCAR 14:0;OHME704695----
HydroxytetradecenoylcarnitineCAR 14:1;OHME704693----
IndoleIndoleME704657----
IsovalerylcarnitineCAR 4:0;3MeME704680----
L-AdrenalineEpinephrineME704658----
L-alanineAlanineME704627----
L-arginineArginineME704628----
L-asparagineAsparagineME704629----
L-CarnitineCarnitineME704666----
L-glutamateGlutamic acidME704630----
L-glutamineGlutamineME704631----
L-histidineHistidineME704632----
L-leucineLeucineME704633----
L-lysineLysineME704634----
L-methionineMethionineME704635----
L-Methionine S-oxideMethionine sulfoxideME704656----
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME704674----
L-phenylalaninePhenylalanineME704636----
L-prolineProlineME704637----
L-serineSerineME704638----
L-threonineThreonineME704639----
L-tryptophanTryptophanME704640----
L-tyrosineTyrosineME704641----
L-valineValineME704642----
NicotinamideNiacinamideME704646----
Nicotinate ribonucleotideNicotinic acid mononucleotideME704647----
O-dodecanoyl-carnitine (acyl-C12)CAR 12:0ME704671----
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME704676----
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME704672----
PantetheinePantetheineME704655----
PantothenatePantothenic acidME704654----
PentadecanoylcarnitineCAR 15:0ME704694----
PimelylcarnitineCAR DC7:0ME704684----
propionyl-carnitine (acyl-C3)CAR 3:0ME704667----
SerotoninSerotoninME704659----
SpermidineSpermidineME704649----
SpermineSpermineME704650----
Sphinganine 1-phosphateSphinganine 1-phosphateME704665----
SphingosineSphingosineME704661----
Sphingosine 1-phosphateSphingosine 1-phosphateME704662----
TetradecanoylcarnitineCAR 14:0ME704692----
TetradecenoylcarnitineCAR 14:1ME704691----
Tetradecenoyl Carnitine (acyl-C14:1)CAR 14:1ME704673----


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