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Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2 or 3-phosphoglycerate_13C_13-Phosphoglyceric acidME087081724C00597--
2 or 3-phosphoglycerate_13C_23-Phosphoglyceric acidME087082724C00597--
2 or 3-phosphoglycerate_13C_33-Phosphoglyceric acidME087083724C00597--
2 or 3-phosphoglycerate_2PG/3PG3-Phosphoglyceric acidME087080724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME098410754---
3-Glycerophosphate3-Phosphoglyceric acidME098411754---
3-Glycerophosphate3-Phosphoglyceric acidME098412754---
3-Glycerophosphate3-Phosphoglyceric acidME098413754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME098399439168C00118--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME098400439168C00118--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME098401439168C00118--
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME098402439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME08708491493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME08708591493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME08708691493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME08708791493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME08708891493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME08708991493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME08709091493C00345--
Acetyl-CoAAcetyl-CoAME087091444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME087092444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME087093444493C00024--
Adenosine diphosphate_13C_1ADPME0870956022C00008--
Adenosine diphosphate_13C_2ADPME0870966022C00008--
Adenosine diphosphate_13C_3ADPME0870976022C00008--
Adenosine diphosphate_13C_4ADPME0870986022C00008--
Adenosine diphosphate_13C_5ADPME0870996022C00008--
Adenosine monophosphate_13C_1AMPME0871016083C00020--
Adenosine monophosphate_13C_2AMPME0871026083C00020--
Adenosine monophosphate_13C_3AMPME0871036083C00020--
Adenosine monophosphate_13C_4AMPME0871046083C00020--
Adenosine monophosphate_13C_5AMPME0871056083C00020--
Adenosine triphosphate_13C_1ATPME0871125957C00002--
Adenosine triphosphate_13C_2ATPME0871135957C00002--
Adenosine triphosphate_13C_3ATPME0871145957C00002--
Adenosine triphosphate_13C_4ATPME0871155957C00002--
Adenosine triphosphate_13C_5ATPME0871165957C00002--
ADPADPME0983736022C00008--
AMPAMPME0983726083C00020--
AspartateAspartic acidME0871065960C00049--
Aspartate_13C_1Aspartic acidME0871075960C00049--
Aspartate_13C_2Aspartic acidME0871085960C00049--
Aspartate_13C_3Aspartic acidME0871095960C00049--
Aspartate_13C_4Aspartic acidME0871105960C00049--
ATPATPME0983745957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME087117311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME087118311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME087119311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME087120311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME087121311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME087122311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME087123311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME087124122357C00279--
Erythrose 4-phosphateErythrose 4-phosphateME098388122357C00279--
Erythrose 4-phosphateErythrose 4-phosphateME098389122357C00279--
Erythrose 4-phosphateErythrose 4-phosphateME098390122357C00279--
Erythrose 4-phosphateErythrose 4-phosphateME098391122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098392172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098393172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098394172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098395172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098396172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098397172313C00354--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME098398172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984035958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984045958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984055958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984065958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984075958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984085958C00092--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0984095958C00092--
GlutamateGlutamic acidME098414611---
GlutamateGlutamic acidME098415611---
GlutamateGlutamic acidME098416611---
GlutamateGlutamic acidME098417611---
GlutamateGlutamic acidME098418611---
GlutamateGlutamic acidME098419611---
LactateLactic acidME098420107689C00186--
LactateLactic acidME098421107689C00186--
LactateLactic acidME098422107689C00186--
LactateLactic acidME098423107689C00186--
MalateMalic acidME098424222656C00149--
MalateMalic acidME098425222656C00149--
MalateMalic acidME098426222656C00149--
MalateMalic acidME098427222656C00149--
MalateMalic acidME098428222656C00149--
Malonyl-CoAMalonyl-CoAME098429644066C00083--
Malonyl-CoAMalonyl-CoAME098430644066C00083--
Malonyl-CoAMalonyl-CoAME098431644066C00083--
Malonyl-CoAMalonyl-CoAME098432644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843310897651C00003--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843410897651C00003--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843510897651C00003--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843610897651C00003--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843710897651C00003--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME09843810897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME098439439153C00004--
Nicotinamide Adenine Dinucleotide reducedNADHME098440439153C00004--
Nicotinamide Adenine Dinucleotide reducedNADHME098441439153C00004--
Nicotinamide Adenine Dinucleotide reducedNADHME098442439153C00004--
Nicotinamide Adenine Dinucleotide reducedNADHME098443439153C00004--
Nicotinamide Adenine Dinucleotide reducedNADHME098444439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME0984451005C00074--
PhosphoenolpyruvatePhosphoenolpyruvic acidME0984461005C00074--
PhosphoenolpyruvatePhosphoenolpyruvic acidME0984471005C00074--
PhosphoenolpyruvatePhosphoenolpyruvic acidME0984481005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09844977982C00117--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09845077982C00117--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09845177982C00117--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09845277982C00117--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09845377982C00117--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME09845477982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098455165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098456165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098457165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098458165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098459165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098460165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098461165007C05382--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME098462165007C05382--
SucroseSucroseME0984635988C00089--
SucroseSucroseME0984645988C00089--
SucroseSucroseME0984655988C00089--
SucroseSucroseME0984665988C00089--
SucroseSucroseME0984675988C00089--


Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Alanine_123AlanineME0870435950C00041--
Alanine_123_13C_1AlanineME0870445950C00041--
alpha-Ketoglutarate_12345Oxoglutaric acidME08705751C00026--
alpha-Ketoglutarate_12345_13C_1Oxoglutaric acidME08705851C00026--
alpha-Ketoglutarate_12345_13C_2Oxoglutaric acidME08705951C00026--
alpha-Ketoglutarate_12345_13C_3Oxoglutaric acidME08706051C00026--
Fumarate_1234Fumaric acidME087047444972C00122--
Fumarate_1234_13C_1Fumaric acidME087048444972C00122--
Fumarate_1234_13C_2Fumaric acidME087049444972C00122--
Lactate_123Lactic acidME087039107689C00186--
Lactate_123_13C_1Lactic acidME087040107689C00186--
Lactate_123_13C_2Lactic acidME087041107689C00186--
Lactate_123_13C_3Lactic acidME087042107689C00186--
Pyruvate_123Pyruvic acidME0870351060C00022--
Pyruvate_123_13C_1Pyruvic acidME0870361060C00022--
Pyruvate_123_13C_2Pyruvic acidME0870371060C00022--
Pyruvate_123_13C_3Pyruvic acidME0870381060C00022--


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