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Analysis: HILIC-MS Negative mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2PG/3PG3-Phosphoglyceric acidME108398724C00597--
2PG/3PG_13C_13-Phosphoglyceric acidME108399724C00597--
2PG/3PG_13C_23-Phosphoglyceric acidME108400724C00597--
2PG/3PG_13C_33-Phosphoglyceric acidME108401724C00597--
6PG6-Phosphogluconic acidME10840291493C00345--
6PG_13C_16-Phosphogluconic acidME10840391493C00345--
6PG_13C_26-Phosphogluconic acidME10840491493C00345--
6PG_13C_36-Phosphogluconic acidME10840591493C00345--
6PG_13C_46-Phosphogluconic acidME10840691493C00345--
6PG_13C_56-Phosphogluconic acidME10840791493C00345--
6PG_13C_66-Phosphogluconic acidME10840891493C00345--
aCoAAcetyl-CoAME108409444493C00024--
aCoA_13C_1Acetyl-CoAME108410444493C00024--
aCoA_13C_2Acetyl-CoAME108411444493C00024--
ADPADPME1084126022C00008--
ADP_13C_1ADPME1084136022C00008--
ADP_13C_2ADPME1084146022C00008--
ADP_13C_3ADPME1084156022C00008--
ADP_13C_4ADPME1084166022C00008--
ADP_13C_5ADPME1084176022C00008--
AMPAMPME1084186083C00020--
AMP_13C_1AMPME1084196083C00020--
AMP_13C_2AMPME1084206083C00020--
AMP_13C_3AMPME1084216083C00020--
AMP_13C_4AMPME1084226083C00020--
AMP_13C_5AMPME1084236083C00020--
ASPAspartic acidME1084245960C00049--
ASP_13C_1Aspartic acidME1084255960C00049--
ASP_13C_2Aspartic acidME1084265960C00049--
ASP_13C_3Aspartic acidME1084275960C00049--
ASP_13C_4Aspartic acidME1084285960C00049--
ATPATPME1084295957C00002--
ATP_13C_1ATPME1084305957C00002--
ATP_13C_2ATPME1084315957C00002--
ATP_13C_3ATPME1084325957C00002--
ATP_13C_4ATPME1084335957C00002--
ATP_13C_5ATPME1084345957C00002--
CIT/ICITCitric acidME108435311C00158--
CIT/ICIT_13C_1Citric acidME108436311C00158--
CIT/ICIT_13C_2Citric acidME108437311C00158--
CIT/ICIT_13C_3Citric acidME108438311C00158--
CIT/ICIT_13C_4Citric acidME108439311C00158--
CIT/ICIT_13C_5Citric acidME108440311C00158--
CIT/ICIT_13C_6Citric acidME108441311C00158--
E4PErythrose 4-phosphateME108442122357C00279--
E4P_13C_1Erythrose 4-phosphateME108443122357C00279--
E4P_13C_2Erythrose 4-phosphateME108444122357C00279--
E4P_13C_3Erythrose 4-phosphateME108445122357C00279--
E4P_13C_4Erythrose 4-phosphateME108446122357C00279--
FBP-ME10844721125049---
FBP_13C_1-ME10844821125049---
FBP_13C_2-ME10844921125049---
FBP_13C_3-ME10845021125049---
FBP_13C_4-ME10845121125049---
FBP_13C_5-ME10845221125049---
FBP_13C_6-ME10845321125049---
G3P-ME108454729---
G3P_13C_1-ME108455729---
G3P_13C_2-ME108456729---
G3P_13C_3-ME108457729---
G6P/F6PGlucose 6-phosphateME1084585958C00092--
G6P/F6P_13C_1Glucose 6-phosphateME1084595958C00092--
G6P/F6P_13C_2Glucose 6-phosphateME1084605958C00092--
G6P/F6P_13C_3Glucose 6-phosphateME1084615958C00092--
G6P/F6P_13C_4Glucose 6-phosphateME1084625958C00092--
G6P/F6P_13C_5Glucose 6-phosphateME1084635958C00092--
G6P/F6P_13C_6Glucose 6-phosphateME1084645958C00092--
GI_OH3P-ME108465754---
GI_OH3P_13C_1-ME108466754---
GI_OH3P_13C_2-ME108467754---
GI_OH3P_13C_3-ME108468754---
GLUGlutamic acidME10846933032---
GLU_13C_1Glutamic acidME10847033032---
GLU_13C_2Glutamic acidME10847133032---
GLU_13C_3Glutamic acidME10847233032---
GLU_13C_4Glutamic acidME10847333032---
GLU_13C_5Glutamic acidME10847433032---
LACLactic acidME108475612---
LAC_13C_1Lactic acidME108476612---
LAC_13C_2Lactic acidME108477612---
LAC_13C_3Lactic acidME108478612---
MALMalic acidME108479222656C00149--
MAL_13C_1Malic acidME108480222656C00149--
MAL_13C_2Malic acidME108481222656C00149--
MAL_13C_3Malic acidME108482222656C00149--
MAL_13C_4Malic acidME108483222656C00149--
mCoA-ME10848410663---
mCoA_13C_1-ME10848510663---
mCoA_13C_2-ME10848610663---
mCoA_13C_3-ME10848710663---
NADNAD+ME10848810897651C00003--
NAD_13C_1NAD+ME10848910897651C00003--
NAD_13C_2NAD+ME10849010897651C00003--
NAD_13C_3NAD+ME10849110897651C00003--
NAD_13C_4NAD+ME10849210897651C00003--
NAD_13C_5NAD+ME10849310897651C00003--
NADHNADHME108494439153C00004--
NADH_13C_1NADHME108495439153C00004--
NADH_13C_2NADHME108496439153C00004--
NADH_13C_3NADHME108497439153C00004--
NADH_13C_4NADHME108498439153C00004--
NADH_13C_5NADHME108499439153C00004--
PEPPhosphoenolpyruvic acidME1085001005C00074--
PEP_13C_1Phosphoenolpyruvic acidME1085011005C00074--
PEP_13C_2Phosphoenolpyruvic acidME1085021005C00074--
PEP_13C_3Phosphoenolpyruvic acidME1085031005C00074--
R5P/X5PRibose 5-phosphateME10850477982C00117--
R5P/X5P_13C_1Ribose 5-phosphateME10850577982C00117--
R5P/X5P_13C_2Ribose 5-phosphateME10850677982C00117--
R5P/X5P_13C_3Ribose 5-phosphateME10850777982C00117--
R5P/X5P_13C_4Ribose 5-phosphateME10850877982C00117--
R5P/X5P_13C_5Ribose 5-phosphateME10850977982C00117--
S7PSedoheptulose 7-phosphateME108510165007C05382--
S7P_13C_1Sedoheptulose 7-phosphateME108511165007C05382--
S7P_13C_2Sedoheptulose 7-phosphateME108512165007C05382--
S7P_13C_3Sedoheptulose 7-phosphateME108513165007C05382--
S7P_13C_4Sedoheptulose 7-phosphateME108514165007C05382--
S7P_13C_5Sedoheptulose 7-phosphateME108515165007C05382--
S7P_13C_6Sedoheptulose 7-phosphateME108516165007C05382--
S7P_13C_7Sedoheptulose 7-phosphateME108517165007C05382--
SUCSucroseME1085185988C00089--
SUC_13C_1SucroseME1085195988C00089--
SUC_13C_2SucroseME1085205988C00089--
SUC_13C_3SucroseME1085215988C00089--
SUC_13C_4SucroseME1085225988C00089--


Analysis: GCMS(FAMES) Positive mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
FA_14:0_MeMyristic acidME10852311005C06424--
FA_14:0_Me_13C_1Myristic acidME10852411005C06424--
FA_14:0_Me_13C_10Myristic acidME10853311005C06424--
FA_14:0_Me_13C_2Myristic acidME10852511005C06424--
FA_14:0_Me_13C_3Myristic acidME10852611005C06424--
FA_14:0_Me_13C_4Myristic acidME10852711005C06424--
FA_14:0_Me_13C_5Myristic acidME10852811005C06424--
FA_14:0_Me_13C_6Myristic acidME10852911005C06424--
FA_14:0_Me_13C_7Myristic acidME10853011005C06424--
FA_14:0_Me_13C_8Myristic acidME10853111005C06424--
FA_14:0_Me_13C_9Myristic acidME10853211005C06424--
FA_16:0_MePalmitic acidME108534985C00249--
FA_16:0_Me_13C_1Palmitic acidME108535985C00249--
FA_16:0_Me_13C_10Palmitic acidME108544985C00249--
FA_16:0_Me_13C_2Palmitic acidME108536985C00249--
FA_16:0_Me_13C_3Palmitic acidME108537985C00249--
FA_16:0_Me_13C_4Palmitic acidME108538985C00249--
FA_16:0_Me_13C_5Palmitic acidME108539985C00249--
FA_16:0_Me_13C_6Palmitic acidME108540985C00249--
FA_16:0_Me_13C_7Palmitic acidME108541985C00249--
FA_16:0_Me_13C_8Palmitic acidME108542985C00249--
FA_16:0_Me_13C_9Palmitic acidME108543985C00249--
FA_16:1_MePalmitoleic acidME108545445638C08362--
FA_16:1_Me_13C_1Palmitoleic acidME108546445638C08362--
FA_16:1_Me_13C_10Palmitoleic acidME108555445638C08362--
FA_16:1_Me_13C_2Palmitoleic acidME108547445638C08362--
FA_16:1_Me_13C_3Palmitoleic acidME108548445638C08362--
FA_16:1_Me_13C_4Palmitoleic acidME108549445638C08362--
FA_16:1_Me_13C_5Palmitoleic acidME108550445638C08362--
FA_16:1_Me_13C_6Palmitoleic acidME108551445638C08362--
FA_16:1_Me_13C_7Palmitoleic acidME108552445638C08362--
FA_16:1_Me_13C_8Palmitoleic acidME108553445638C08362--
FA_16:1_Me_13C_9Palmitoleic acidME108554445638C08362--
FA_18:0_MeStearic acidME1085565281C01530--
FA_18:0_Me_13C_1Stearic acidME1085575281C01530--
FA_18:0_Me_13C_10Stearic acidME1085665281C01530--
FA_18:0_Me_13C_2Stearic acidME1085585281C01530--
FA_18:0_Me_13C_3Stearic acidME1085595281C01530--
FA_18:0_Me_13C_4Stearic acidME1085605281C01530--
FA_18:0_Me_13C_5Stearic acidME1085615281C01530--
FA_18:0_Me_13C_6Stearic acidME1085625281C01530--
FA_18:0_Me_13C_7Stearic acidME1085635281C01530--
FA_18:0_Me_13C_8Stearic acidME1085645281C01530--
FA_18:0_Me_13C_9Stearic acidME1085655281C01530--
FA_18:1_MeOleic acidME108567445639C00712--
FA_18:1_Me_13C_1Oleic acidME108568445639C00712--
FA_18:1_Me_13C_10Oleic acidME108577445639C00712--
FA_18:1_Me_13C_2Oleic acidME108569445639C00712--
FA_18:1_Me_13C_3Oleic acidME108570445639C00712--
FA_18:1_Me_13C_4Oleic acidME108571445639C00712--
FA_18:1_Me_13C_5Oleic acidME108572445639C00712--
FA_18:1_Me_13C_6Oleic acidME108573445639C00712--
FA_18:1_Me_13C_7Oleic acidME108574445639C00712--
FA_18:1_Me_13C_8Oleic acidME108575445639C00712--
FA_18:1_Me_13C_9Oleic acidME108576445639C00712--


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