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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 acidME697523724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME697524724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME697525724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME697522724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME697585754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME697586754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME697587754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME697588754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME697574439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME697575439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME697576439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME697577439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME69752691493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME69752791493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME69752891493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME69752991493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME69753091493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME69753191493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME69753291493C00345--
Acetyl-CoAAcetyl-CoAME697533444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME697534444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME697535444493C00024--
Adenosine diphosphate_13C_1ADPME6975366022C00008--
Adenosine diphosphate_13C_2ADPME6975376022C00008--
Adenosine diphosphate_13C_3ADPME6975386022C00008--
Adenosine diphosphate_13C_4ADPME6975396022C00008--
Adenosine diphosphate_13C_5ADPME6975406022C00008--
Adenosine monophosphate_13C_1AMPME6975416083C00020--
Adenosine monophosphate_13C_2AMPME6975426083C00020--
Adenosine monophosphate_13C_3AMPME6975436083C00020--
Adenosine monophosphate_13C_4AMPME6975446083C00020--
Adenosine monophosphate_13C_5AMPME6975456083C00020--
Adenosine triphosphate_13C_1ATPME6975515957C00002--
Adenosine triphosphate_13C_2ATPME6975525957C00002--
Adenosine triphosphate_13C_3ATPME6975535957C00002--
Adenosine triphosphate_13C_4ATPME6975545957C00002--
Adenosine triphosphate_13C_5ATPME6975555957C00002--
ADPADPME6976396022C00008--
AMPAMPME6976386083C00020--
AspartateAspartic acidME6975465960C00049--
Aspartate_13C_1Aspartic acidME6975475960C00049--
Aspartate_13C_2Aspartic acidME6975485960C00049--
Aspartate_13C_3Aspartic acidME6975495960C00049--
Aspartate_13C_4Aspartic acidME6975505960C00049--
ATPATPME6976405957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME697556311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME697557311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME697558311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME697559311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME697560311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME697561311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME697562311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME697563122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME697564122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME697565122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME697566122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME697567122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME697516172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME697568172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME697569172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME697570172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME697571172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME697572172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME697573172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME6975785958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME6975795958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME6975805958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME6975815958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME6975825958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME6975835958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME6975845958C00092--
GlutamateGlutamic acidME697589611---
Glutamate_13C_1Glutamic acidME697590611---
Glutamate_13C_2Glutamic acidME697591611---
Glutamate_13C_3Glutamic acidME697592611---
Glutamate_13C_4Glutamic acidME697593611---
Glutamate_13C_5Glutamic acidME697594611---
LactateLactic acidME697595107689C00186--
Lactate_13C_1Lactic acidME697596107689C00186--
Lactate_13C_2Lactic acidME697597107689C00186--
Lactate_13C_3Lactic acidME697598107689C00186--
MalateMalic acidME697517222656C00149--
Malate_13C_1Malic acidME697599222656C00149--
Malate_13C_2Malic acidME697600222656C00149--
Malate_13C_3Malic acidME697601222656C00149--
Malate_13C_4Malic acidME697602222656C00149--
Malonyl-CoAMalonyl-CoAME697603644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME697604644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME697605644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME697606644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME69751810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME69760710897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME69760810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME69760910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME69761010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME69761110897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME697519439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME697612439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME697613439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME697614439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME697615439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME697616439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME6975201005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME6976171005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME6976181005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME6976191005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME69762077982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME69762177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME69762277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME69762377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME69762477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME69762577982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME697626165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME697627165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME697628165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME697629165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME697630165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME697631165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME697632165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME697633165007C05382--
SucroseSucroseME6975215988C00089--
Sucrose_13C_1SucroseME6976345988C00089--
Sucrose_13C_2SucroseME6976355988C00089--
Sucrose_13C_3SucroseME6976365988C00089--
Sucrose_13C_4SucroseME6976375988C00089--


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