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Analysis: ESI/QTOF 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 acidME702666724C00597--
2 or 3-phosphoglycerate_13C_2Phosphoglyceric acidME702667724C00597--
2 or 3-phosphoglycerate_13C_3Phosphoglyceric acidME702668724C00597--
2 or 3-phosphoglycerate_2PG/3PGPhosphoglyceric acidME702665724C00597--
3-Glycerophosphate3-Phosphoglyceric acidME702728754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME702729754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME702730754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME702731754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME702717439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME702718439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME702719439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME702720439168C00118--
6-Phosphogluconate6-Phosphogluconic acidME70266991493C00345--
6-Phosphogluconate_13C_16-Phosphogluconic acidME70267091493C00345--
6-Phosphogluconate_13C_26-Phosphogluconic acidME70267191493C00345--
6-Phosphogluconate_13C_36-Phosphogluconic acidME70267291493C00345--
6-Phosphogluconate_13C_46-Phosphogluconic acidME70267391493C00345--
6-Phosphogluconate_13C_56-Phosphogluconic acidME70267491493C00345--
6-Phosphogluconate_13C_66-Phosphogluconic acidME70267591493C00345--
Acetyl-CoAAcetyl-CoAME702676444493C00024--
Acetyl-CoA_13C_1Acetyl-CoAME702677444493C00024--
Acetyl-CoA_13C_2Acetyl-CoAME702678444493C00024--
Adenosine diphosphate_13C_1ADPME7026796022C00008--
Adenosine diphosphate_13C_2ADPME7026806022C00008--
Adenosine diphosphate_13C_3ADPME7026816022C00008--
Adenosine diphosphate_13C_4ADPME7026826022C00008--
Adenosine diphosphate_13C_5ADPME7026836022C00008--
Adenosine monophosphate_13C_1AMPME7026846083C00020--
Adenosine monophosphate_13C_2AMPME7026856083C00020--
Adenosine monophosphate_13C_3AMPME7026866083C00020--
Adenosine monophosphate_13C_4AMPME7026876083C00020--
Adenosine monophosphate_13C_5AMPME7026886083C00020--
Adenosine triphosphate_13C_1ATPME7026945957C00002--
Adenosine triphosphate_13C_2ATPME7026955957C00002--
Adenosine triphosphate_13C_3ATPME7026965957C00002--
Adenosine triphosphate_13C_4ATPME7026975957C00002--
Adenosine triphosphate_13C_5ATPME7026985957C00002--
ADPADPME7027826022C00008--
AMPAMPME7027816083C00020--
AspartateAspartic acidME7026895960C00049--
Aspartate_13C_1Aspartic acidME7026905960C00049--
Aspartate_13C_2Aspartic acidME7026915960C00049--
Aspartate_13C_3Aspartic acidME7026925960C00049--
Aspartate_13C_4Aspartic acidME7026935960C00049--
ATPATPME7027835957C00002--
Citrate or IsocitrateCitric acid/Isocitric acidME702699311C00158--
Citrate or Isocitrate_13C_1Citric acid/Isocitric acidME702700311C00158--
Citrate or Isocitrate_13C_2Citric acid/Isocitric acidME702701311C00158--
Citrate or Isocitrate_13C_3Citric acid/Isocitric acidME702702311C00158--
Citrate or Isocitrate_13C_4Citric acid/Isocitric acidME702703311C00158--
Citrate or Isocitrate_13C_5Citric acid/Isocitric acidME702704311C00158--
Citrate or Isocitrate_13C_6Citric acid/Isocitric acidME702705311C00158--
Erythrose 4-phosphateErythrose 4-phosphateME702706122357C00279--
Erythrose 4-phosphate_13C_1Erythrose 4-phosphateME702707122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME702708122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME702709122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME702710122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME702659172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME702711172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME702712172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME702713172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME702714172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME702715172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME702716172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME7027215958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME7027225958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME7027235958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME7027245958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME7027255958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME7027265958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME7027275958C00092--
GlutamateGlutamic acidME702732611---
Glutamate_13C_1Glutamic acidME702733611---
Glutamate_13C_2Glutamic acidME702734611---
Glutamate_13C_3Glutamic acidME702735611---
Glutamate_13C_4Glutamic acidME702736611---
Glutamate_13C_5Glutamic acidME702737611---
LactateLactic acidME702738107689C00186--
Lactate_13C_1Lactic acidME702739107689C00186--
Lactate_13C_2Lactic acidME702740107689C00186--
Lactate_13C_3Lactic acidME702741107689C00186--
MalateMalic acidME702660222656C00149--
Malate_13C_1Malic acidME702742222656C00149--
Malate_13C_2Malic acidME702743222656C00149--
Malate_13C_3Malic acidME702744222656C00149--
Malate_13C_4Malic acidME702745222656C00149--
Malonyl-CoAMalonyl-CoAME702746644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME702747644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME702748644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME702749644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME70266110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME70275010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME70275110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME70275210897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME70275310897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME70275410897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME702662439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME702755439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME702756439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME702757439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME702758439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME702759439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME7026631005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME7027601005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME7027611005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME7027621005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME70276377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME70276477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME70276577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME70276677982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME70276777982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME70276877982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME702769165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME702770165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME702771165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME702772165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME702773165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME702774165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME702775165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME702776165007C05382--
SucroseSucroseME7026645988C00089--
Sucrose_13C_1SucroseME7027775988C00089--
Sucrose_13C_2SucroseME7027785988C00089--
Sucrose_13C_3SucroseME7027795988C00089--
Sucrose_13C_4SucroseME7027805988C00089--


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