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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 acidME087146754---
3-Glycerophosphate_13C_13-Phosphoglyceric acidME087147754---
3-Glycerophosphate_13C_23-Phosphoglyceric acidME087148754---
3-Glycerophosphate_13C_33-Phosphoglyceric acidME087149754---
3-phosphoglyceraldehydeGlyceraldehyde 3-phosphateME087135439168C00118--
3-phosphoglyceraldehyde_13C_1Glyceraldehyde 3-phosphateME087136439168C00118--
3-phosphoglyceraldehyde_13C_2Glyceraldehyde 3-phosphateME087137439168C00118--
3-phosphoglyceraldehyde_13C_3Glyceraldehyde 3-phosphateME087138439168C00118--
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 diphosphateADPME0870946022C00008--
Adenosine diphosphate_13C_1ADPME0870956022C00008--
Adenosine diphosphate_13C_2ADPME0870966022C00008--
Adenosine diphosphate_13C_3ADPME0870976022C00008--
Adenosine diphosphate_13C_4ADPME0870986022C00008--
Adenosine diphosphate_13C_5ADPME0870996022C00008--
Adenosine monophosphateAMPME0871006083C00020--
Adenosine monophosphate_13C_1AMPME0871016083C00020--
Adenosine monophosphate_13C_2AMPME0871026083C00020--
Adenosine monophosphate_13C_3AMPME0871036083C00020--
Adenosine monophosphate_13C_4AMPME0871046083C00020--
Adenosine monophosphate_13C_5AMPME0871056083C00020--
Adenosine triphosphateATPME0871115957C00002--
Adenosine triphosphate_13C_1ATPME0871125957C00002--
Adenosine triphosphate_13C_2ATPME0871135957C00002--
Adenosine triphosphate_13C_3ATPME0871145957C00002--
Adenosine triphosphate_13C_4ATPME0871155957C00002--
Adenosine triphosphate_13C_5ATPME0871165957C00002--
AspartateAspartic acidME0871065960C00049--
Aspartate_13C_1Aspartic acidME0871075960C00049--
Aspartate_13C_2Aspartic acidME0871085960C00049--
Aspartate_13C_3Aspartic acidME0871095960C00049--
Aspartate_13C_4Aspartic acidME0871105960C00049--
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-phosphate_13C_1Erythrose 4-phosphateME087125122357C00279--
Erythrose 4-phosphate_13C_2Erythrose 4-phosphateME087126122357C00279--
Erythrose 4-phosphate_13C_3Erythrose 4-phosphateME087127122357C00279--
Erythrose 4-phosphate_13C_4Erythrose 4-phosphateME087128122357C00279--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME087027172313C00354--
Fructose 1,6-bisphosphate_13C_1Fructose 1,6-bisphosphateME087129172313C00354--
Fructose 1,6-bisphosphate_13C_2Fructose 1,6-bisphosphateME087130172313C00354--
Fructose 1,6-bisphosphate_13C_3Fructose 1,6-bisphosphateME087131172313C00354--
Fructose 1,6-bisphosphate_13C_4Fructose 1,6-bisphosphateME087132172313C00354--
Fructose 1,6-bisphosphate_13C_5Fructose 1,6-bisphosphateME087133172313C00354--
Fructose 1,6-bisphosphate_13C_6Fructose 1,6-bisphosphateME087134172313C00354--
Glucose 6-phosphate or fructose-6-phosphateGlucose 6-phosphateME0871395958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_1Glucose 6-phosphateME0871405958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_2Glucose 6-phosphateME0871415958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_3Glucose 6-phosphateME0871425958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_4Glucose 6-phosphateME0871435958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_5Glucose 6-phosphateME0871445958C00092--
Glucose 6-phosphate or fructose-6-phosphate_13C_6Glucose 6-phosphateME0871455958C00092--
GlutamateGlutamic acidME087150611---
Glutamate_13C_1Glutamic acidME087151611---
Glutamate_13C_2Glutamic acidME087152611---
Glutamate_13C_3Glutamic acidME087153611---
Glutamate_13C_4Glutamic acidME087154611---
Glutamate_13C_5Glutamic acidME087155611---
LactateLactic acidME087156107689C00186--
Lactate_13C_1Lactic acidME087157107689C00186--
Lactate_13C_2Lactic acidME087158107689C00186--
Lactate_13C_3Lactic acidME087159107689C00186--
MalateMalic acidME087028222656C00149--
Malate_13C_1Malic acidME087160222656C00149--
Malate_13C_2Malic acidME087161222656C00149--
Malate_13C_3Malic acidME087162222656C00149--
Malate_13C_4Malic acidME087163222656C00149--
Malonyl-CoAMalonyl-CoAME087164644066C00083--
Malonyl-CoA_13C_1Malonyl-CoAME087165644066C00083--
Malonyl-CoA_13C_2Malonyl-CoAME087166644066C00083--
Malonyl-CoA_13C_3Malonyl-CoAME087167644066C00083--
Nicotinamide Adenine Dinucleotide oxidizedNAD+ME08702910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_1NAD+ME08716810897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_2NAD+ME08716910897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_3NAD+ME08717010897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_4NAD+ME08717110897651C00003--
Nicotinamide Adenine Dinucleotide oxidized_13C_5NAD+ME08717210897651C00003--
Nicotinamide Adenine Dinucleotide reducedNADHME087030439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_1NADHME087173439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_2NADHME087174439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_3NADHME087175439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_4NADHME087176439153C00004--
Nicotinamide Adenine Dinucleotide reduced_13C_5NADHME087177439153C00004--
PhosphoenolpyruvatePhosphoenolpyruvic acidME0870331005C00074--
Phosphoenolpyruvate_13C_1Phosphoenolpyruvic acidME0871781005C00074--
Phosphoenolpyruvate_13C_2Phosphoenolpyruvic acidME0871791005C00074--
Phosphoenolpyruvate_13C_3Phosphoenolpyruvic acidME0871801005C00074--
Ribose-5-phosphate or xylulose 5-phosphateRibose 5-phosphateME08718177982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_1Ribose 5-phosphateME08718277982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_2Ribose 5-phosphateME08718377982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_3Ribose 5-phosphateME08718477982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_4Ribose 5-phosphateME08718577982C00117--
Ribose-5-phosphate or xylulose 5-phosphate_13C_5Ribose 5-phosphateME08718677982C00117--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME087187165007C05382--
Sedoheptulose 7-phosphate_13C_1Sedoheptulose 7-phosphateME087188165007C05382--
Sedoheptulose 7-phosphate_13C_2Sedoheptulose 7-phosphateME087189165007C05382--
Sedoheptulose 7-phosphate_13C_3Sedoheptulose 7-phosphateME087190165007C05382--
Sedoheptulose 7-phosphate_13C_4Sedoheptulose 7-phosphateME087191165007C05382--
Sedoheptulose 7-phosphate_13C_5Sedoheptulose 7-phosphateME087192165007C05382--
Sedoheptulose 7-phosphate_13C_6Sedoheptulose 7-phosphateME087193165007C05382--
Sedoheptulose 7-phosphate_13C_7Sedoheptulose 7-phosphateME087194165007C05382--
SucroseSucroseME0870345988C00089--
Sucrose_13C_1SucroseME0871955988C00089--
Sucrose_13C_2SucroseME0871965988C00089--
Sucrose_13C_3SucroseME0871975988C00089--
Sucrose_13C_4SucroseME0871985988C00089--


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
AsparagineAsparagineME0977516267C00152--
AsparagineAsparagineME0977526267C00152--
AsparagineAsparagineME0977536267C00152--
AsparagineAsparagineME0977546267C00152--
AspartateAspartic acidME0872055960C00049--
Aspartate_13C_1Aspartic acidME0871075960C00049--
Aspartate_13C_2Aspartic acidME0871085960C00049--
Aspartate_13C_3Aspartic acidME0871095960C00049--
CysteineCysteineME097755594C00097--
CysteineCysteineME097756594C00097--
CysteineCysteineME097757594C00097--
CysteineCysteineME097758594C00097--
GlutamateGlutamic acidME087206611---
Glutamate_13C_1Glutamic acidME087151611---
Glutamate_13C_2Glutamic acidME087152611---
Glutamate_13C_3Glutamic acidME087153611---
GlutamineGlutamineME0977595961C00064--
GlutamineGlutamineME0977605961C00064--
GlutamineGlutamineME0977615961C00064--
GlutamineGlutamineME0977625961C00064--
GlycineGlycineME097763750C00037--
GlycineGlycineME097764750C00037--
GlycineGlycineME097765750C00037--
IsoleucineIsoleucineME0977666306C00407--
IsoleucineIsoleucineME0977676306C00407--
IsoleucineIsoleucineME0977686306C00407--
IsoleucineIsoleucineME0977696306C00407--
LeucineLeucineME0977706106C00123--
LeucineLeucineME0977716106C00123--
LeucineLeucineME0977726106C00123--
LeucineLeucineME0977736106C00123--
LysineLysineME0977745962C00047--
LysineLysineME0977755962C00047--
LysineLysineME0977765962C00047--
LysineLysineME0977775962C00047--
MethionineMethionineME0977786137C00073--
MethionineMethionineME0977796137C00073--
MethionineMethionineME0977806137C00073--
MethionineMethionineME0977816137C00073--
PhenylalaninePhenylalanineME0977826140C00079--
PhenylalaninePhenylalanineME0977836140C00079--
PhenylalaninePhenylalanineME0977846140C00079--
PhenylalaninePhenylalanineME0977856140C00079--
ProlineProlineME097786145742C00148--
ProlineProlineME097787145742C00148--
ProlineProlineME097788145742C00148--
SerineSerineME0977895951C00065--
SerineSerineME0977905951C00065--
SerineSerineME0977915951C00065--
SerineSerineME0977925951C00065--
ThreonineThreonineME0977936288C00188--
ThreonineThreonineME0977946288C00188--
ThreonineThreonineME0977956288C00188--
ThreonineThreonineME0977966288C00188--
TryptophanTryptophanME0977976305C00078--
TryptophanTryptophanME0977986305C00078--
TryptophanTryptophanME0977996305C00078--
TryptophanTryptophanME0978006305C00078--
TryptophanTryptophanME0978016305C00078--
ValineValineME0978026287C00183--
ValineValineME0978036287C00183--
ValineValineME0978046287C00183--
ValineValineME0978056287C00183--


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