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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_1Phosphoglyceric acidME697274724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME697275724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME697276724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME697273724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME697336754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME697337754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME697338754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME697339754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME697325439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME697326439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME697327439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME697328439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME69727791493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME69727891493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME69727991493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME69728091493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME69728191493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME69728291493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME69728391493C00345--
Acetyl-CoAAcetyl-CoAME697284444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME697285444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME697286444493C00024--
Adenosine diphosphate_13C_1ADPME6972876022C00008--
Adenosine diphosphate_13C_2ADPME6972886022C00008--
Adenosine diphosphate_13C_3ADPME6972896022C00008--
Adenosine diphosphate_13C_4ADPME6972906022C00008--
Adenosine diphosphate_13C_5ADPME6972916022C00008--
Adenosine monophosphate_13C_1AMPME6972926083C00020--
Adenosine monophosphate_13C_2AMPME6972936083C00020--
Adenosine monophosphate_13C_3AMPME6972946083C00020--
Adenosine monophosphate_13C_4AMPME6972956083C00020--
Adenosine monophosphate_13C_5AMPME6972966083C00020--
Adenosine triphosphate_13C_1ATPME6973025957C00002--
Adenosine triphosphate_13C_2ATPME6973035957C00002--
Adenosine triphosphate_13C_3ATPME6973045957C00002--
Adenosine triphosphate_13C_4ATPME6973055957C00002--
Adenosine triphosphate_13C_5ATPME6973065957C00002--
ADPADPME6973906022C00008--
AMPAMPME6973896083C00020--
AspartateAspartic acidME6972975960C00049--
Aspartate_13C_1Aspartic acidME6972985960C00049--
Aspartate_13C_2Aspartic acidME6972995960C00049--
Aspartate_13C_3Aspartic acidME6973005960C00049--
Aspartate_13C_4Aspartic acidME6973015960C00049--
ATPATPME6973915957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME697307311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME697308311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME697309311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME697310311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME697311311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME697312311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME697313311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME697314122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME697315122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME697316122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME697317122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME697318122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME697267172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME697319172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME697320172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME697321172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME697322172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME697323172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME697324172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6973295958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6973305958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6973315958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6973325958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6973335958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6973345958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6973355958C00092--
GlutamateGlutamic acidME697340611---
Glutamate_13C_1Glutamic acidME697341611---
Glutamate_13C_2Glutamic acidME697342611---
Glutamate_13C_3Glutamic acidME697343611---
Glutamate_13C_4Glutamic acidME697344611---
Glutamate_13C_5Glutamic acidME697345611---
LactateLactic acidME697346107689C00186--
Lactate_13C_1Lactic acidME697347107689C00186--
Lactate_13C_2Lactic acidME697348107689C00186--
Lactate_13C_3Lactic acidME697349107689C00186--
MalateMalic acidME697268222656C00149--
Malate_13C_1Malic acidME697350222656C00149--
Malate_13C_2Malic acidME697351222656C00149--
Malate_13C_3Malic acidME697352222656C00149--
Malate_13C_4Malic acidME697353222656C00149--
Malonyl-CoAMalonyl-CoAME697354644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME697355644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME697356644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME697357644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME69726910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME69735810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME69735910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME69736010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME69736110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME69736210897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME697270439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME697363439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME697364439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME697365439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME697366439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME697367439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6972711005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6973681005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6973691005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6973701005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME69737177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME69737277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME69737377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME69737477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME69737577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME69737677982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME697377165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME697378165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME697379165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME697380165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME697381165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME697382165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME697383165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME697384165007C05382--
SucroseSucroseME6972725988C00089--
Sucrose_13C_1SucroseME6973855988C00089--
Sucrose_13C_2SucroseME6973865988C00089--
Sucrose_13C_3SucroseME6973875988C00089--
Sucrose_13C_4SucroseME6973885988C00089--


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