#METABOLOMICS WORKBENCH fahdq_20230417_144128 DATATRACK_ID:3867 STUDY_ID:ST002567 ANALYSIS_ID:AN004228 PROJECT_ID:PR001654
VERSION             	1
CREATED_ON             	April 19, 2023, 7:59 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of Human islets treated with DHT and high-glucose challenge
PR:PROJECT_SUMMARY               	Dihydrotestosterone (DHT) driven Androgen receptor activation in pancreatic
PR:PROJECT_SUMMARY               	beta-cells leads to the amplification of GLP-1R-mediated insulin exocytosis.
PR:PROJECT_SUMMARY               	Here we study the impact of DHT on the metabolic architecture of human
PR:PROJECT_SUMMARY               	pancreatic islets upon stimulation with DHT at high (16.7mM) and low (2.8mM)
PR:PROJECT_SUMMARY               	Glucose.
PR:INSTITUTE                     	Tulane University
PR:LAST_NAME                     	Qadir
PR:FIRST_NAME                    	Mirza Muhammad Fahd
PR:ADDRESS                       	SOM RM2301/Endocrinology, 333 S, Liberty, New Orleans, LA, 70112, USA
PR:EMAIL                         	mqadir@tulane.edu
PR:PHONE                         	5049884646
#STUDY
ST:STUDY_TITLE                   	Metabolomics of Human islets treated with DHT and high-glucose challenge
ST:STUDY_SUMMARY                 	Dihydrotestosterone (DHT) driven Androgen receptor activation in pancreatic
ST:STUDY_SUMMARY                 	beta-cells leads to the amplification of GLP-1R-mediated insulin exocytosis.
ST:STUDY_SUMMARY                 	Here we study the impact of DHT on the metabolic architecture of human
ST:STUDY_SUMMARY                 	pancreatic islets upon stimulation with DHT at high (16.7mM) and low (2.8mM)
ST:STUDY_SUMMARY                 	Glucose.
ST:INSTITUTE                     	Tulane University School of Medicine
ST:LAST_NAME                     	Qadir
ST:FIRST_NAME                    	Mirza Muhammad Fahd
ST:ADDRESS                       	SOM RM2301/Endocrinology
ST:EMAIL                         	mqadir@tulane.edu
ST:PHONE                         	5049884646
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_028_A1_E1	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-10-01_028_A1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_033_A2_E1	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-10-01_033_A2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_027_A3_E1	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-10-01_027_A3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_025_B1_E1	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-10-01_025_B1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_031_B2_E1	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-10-01_031_B2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_016_B3_E1	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-10-01_016_B3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_032_C1_E1	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-10-01_032_C1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_021_C2_E1	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-10-01_021_C2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_023_C3_E1	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-10-01_023_C3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_010_D1_E1	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-10-01_010_D1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_014_D2_E1	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-10-01_014_D2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_034_D3_E1	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-10-01_034_D3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_017_E1_E1	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-10-01_017_E1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_024_E2_E1	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-10-01_024_E2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_020_E3_E1	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-10-01_020_E3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_022_F1_E1	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-10-01_022_F1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_013_F2_E1	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-10-01_013_F2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_035_F3_E1	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-10-01_035_F3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_015_G1_E1	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-10-01_015_G1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_029_G2_E1	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-10-01_029_G2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_011_G3_E1	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-10-01_011_G3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_026_H1_E1	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-10-01_026_H1_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_019_H2_E1	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-10-01_019_H2_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E1	2021-10-01_012_H3_E1	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-10-01_012_H3_E1.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_014_A1_E2	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-11-29_014_A1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_013_A2_E2	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-11-29_013_A2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_023_A3_E2	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-11-29_023_A3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_012_B1_E2	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-11-29_012_B1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_019_B2_E2	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-11-29_019_B2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_008_B3_E2	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-11-29_008_B3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_021_C1_E2	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-11-29_021_C1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_026_C2_E2	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-11-29_026_C2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_027_C3_E2	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-11-29_027_C3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_006_D1_E2	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-11-29_006_D1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_010_D2_E2	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-11-29_010_D2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_017_D3_E2	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-11-29_017_D3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_009_E1_E2	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-11-29_009_E1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_028_E2_E2	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-11-29_028_E2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_020_E3_E2	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-11-29_020_E3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_011_F1_E2	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-11-29_011_F1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_022_F2_E2	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-11-29_022_F2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_025_F3_E2	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-11-29_025_F3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_007_G1_E2	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-11-29_007_G1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_015_G2_E2	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-11-29_015_G2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_004_G3_E2	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-11-29_004_G3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_024_H1_E2	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-11-29_024_H1_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_005_H2_E2	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-11-29_005_H2_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E2	2021-11-29_018_H3_E2	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-11-29_018_H3_E2.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_050_A1_E3	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A1; RAW_FILE_NAME=2021-11-29_050_A1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_041_A2_E3	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A2; RAW_FILE_NAME=2021-11-29_041_A2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_030_A3_E3	Treatment:2.8G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=A3; RAW_FILE_NAME=2021-11-29_030_A3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_038_B1_E3	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B1; RAW_FILE_NAME=2021-11-29_038_B1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_044_B2_E3	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B2; RAW_FILE_NAME=2021-11-29_044_B2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_053_B3_E3	Treatment:16.7G_EtoH_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=B3; RAW_FILE_NAME=2021-11-29_053_B3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_046_C1_E3	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C1; RAW_FILE_NAME=2021-11-29_046_C1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_047_C2_E3	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C2; RAW_FILE_NAME=2021-11-29_047_C2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_054_C3_E3	Treatment:2.8G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=C3; RAW_FILE_NAME=2021-11-29_054_C3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_051_D1_E3	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D1; RAW_FILE_NAME=2021-11-29_051_D1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_049_D2_E3	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D2; RAW_FILE_NAME=2021-11-29_049_D2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_032_D3_E3	Treatment:16.7G_DHT_30min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=D3; RAW_FILE_NAME=2021-11-29_032_D3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_052_E1_E3	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E1; RAW_FILE_NAME=2021-11-29_052_E1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_048_E2_E3	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E2; RAW_FILE_NAME=2021-11-29_048_E2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_045_E3_E3	Treatment:2.8G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=E3; RAW_FILE_NAME=2021-11-29_045_E3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_033_F1_E3	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F1; RAW_FILE_NAME=2021-11-29_033_F1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_034_F2_E3	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F2; RAW_FILE_NAME=2021-11-29_034_F2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_036_F3_E3	Treatment:16.7G_EtoH_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=F3; RAW_FILE_NAME=2021-11-29_036_F3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_039_G1_E3	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G1; RAW_FILE_NAME=2021-11-29_039_G1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_040_G2_E3	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G2; RAW_FILE_NAME=2021-11-29_040_G2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_037_G3_E3	Treatment:2.8G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=G3; RAW_FILE_NAME=2021-11-29_037_G3_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_043_H1_E3	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H1; RAW_FILE_NAME=2021-11-29_043_H1_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_031_H2_E3	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H2; RAW_FILE_NAME=2021-11-29_031_H2_E3.mzML
SUBJECT_SAMPLE_FACTORS           	E3	2021-11-29_035_H3_E3	Treatment:16.7G_DHT_60min	Genotype=Non-Diabetic/Homo Sapien/Pancreatic Islets; Tube=H3; RAW_FILE_NAME=2021-11-29_035_H3_E3.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Following the incubation period, tubes were briefly centrifuged at low speed and
CO:COLLECTION_SUMMARY            	media was withdrawn. 150mM ammonium acetate in water were added to rinse
CO:COLLECTION_SUMMARY            	residual media (150mM ammonium acetate is an osmolarity-matching, mass
CO:COLLECTION_SUMMARY            	spectrometry compatible rinse buffer with near-neutral pH). Tubes were
CO:COLLECTION_SUMMARY            	centrifuged, supernatant was withdrawn, and they were frozen by immersion in
CO:COLLECTION_SUMMARY            	liquid nitrogen and stored at -80C prior to extraction.
CO:SAMPLE_TYPE                   	Pancreas
CO:VOLUMEORAMOUNT_COLLECTED      	500-1000uL
CO:STORAGE_CONDITIONS            	-80℃
CO:STORAGE_VIALS                 	1ml Eppendorf Tubes
CO:COLLECTION_TUBE_TEMP          	-40C
CO:ADDITIVES                     	Ammonium acetate 150mM
#TREATMENT
TR:TREATMENT_SUMMARY             	Human islets were treated overnight with 10nM DHT or EtOH in a humidified
TR:TREATMENT_SUMMARY             	incubator containing 4% CO2 at 37°C and then batched in groups of 100 islets in
TR:TREATMENT_SUMMARY             	microcentrifuge tubes and treated for either 30 or 60 minutes with media
TR:TREATMENT_SUMMARY             	containing either 2.8mM or 16.7 mM 13C6 glucose; the same DHT or EtOH
TR:TREATMENT_SUMMARY             	concentrations were maintained.
TR:TREATMENT_COMPOUND            	DHT
TR:TREATMENT_DOSE                	10nM
TR:TREATMENT_DOSEVOLUME          	1ul per 1ml media
TR:TREATMENT_DOSEDURATION        	24 hours prior to experiment
TR:TREATMENT_VEHICLE             	Ethanol
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sample prep summary: Islet samples were extracted in 200μL of ice-cold 8:1:1
SP:SAMPLEPREP_SUMMARY            	methanol:water:chloroform, with tissue disruption aided by immediate probe
SP:SAMPLEPREP_SUMMARY            	sonication for 20 seconds with a Branson 450 Sonifier set to output level 2,
SP:SAMPLEPREP_SUMMARY            	duty cycle 20%. The disrupted samples were allowed to incubate on ice for 10
SP:SAMPLEPREP_SUMMARY            	minutes and were then centrifuged for 5 min at 14,000 xg to pellet cell debris.
SP:SAMPLEPREP_SUMMARY            	180μL of supernatant were dried under a gentle stream of nitrogen gas at room
SP:SAMPLEPREP_SUMMARY            	temperature, and were then reconstituted in 45μL of 4:1 water:methanol and
SP:SAMPLEPREP_SUMMARY            	transferred to autosampler vials for analysis. Extraction method: Single-phase
SP:SAMPLEPREP_SUMMARY            	extraction using 8:1:1 methanol:water:chloroform Extract storage: -80°C until
SP:SAMPLEPREP_SUMMARY            	extraction; 4°C after reconstitution
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACTION_METHOD             	Single-phase extraction using 8:1:1 methanol:water:chloroform
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	-80°C until extraction; 4°C after reconstitution
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 6530 qTOF
CH:COLUMN_NAME                   	Agilent Zorbax Extend C18 (150 x 2.1mm, 1.8um) with matched guard column
CH:SOLVENT_A                     	97% water/3% methanol; 10 mM tributylamine; 5mM acetic acid
CH:SOLVENT_B                     	100% methanol; 10 mM tributylamine; 5mM acetic acid
CH:FLOW_GRADIENT                 	0-2min hold 100/0/0 (%A/%B/%C); 2-12 min linear to 1/99/0, 12-20 min hold
CH:FLOW_GRADIENT                 	1/99/0, 20-20.5 min linear to 5/0/95, 20.5-26.1 5/0/95, 26.1-26.3 min linear to
CH:FLOW_GRADIENT                 	100/0/0, 26.3-33 min hold 100/0/0
CH:FLOW_RATE                     	0-20.5 min hold 0.25mL/min, [18 min switch flow direction to backflush],
CH:FLOW_RATE                     	20.5-21.5 linear to 0.4mL/min, 21.5-22.3 linear to 0.8 mL/min, [26 min switch
CH:FLOW_RATE                     	flow direction to forward] 26-26.1 linear to 0.6mL/min, 26.1-26.3 linear to 0.4
CH:FLOW_RATE                     	mL/min, 26.3-31.8 min hold 0.4mL/min, 31.8-32 min linear to 0.25mL/min
CH:COLUMN_TEMPERATURE            	35°C
CH:METHODS_FILENAME              	experiment_metadata
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:OPERATOR_NAME                 	Dr. Charles Evans PhD
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MS acquisition was performed in negative ion mode, scan rate 2 spectra/sec, mass
MS:MS_COMMENTS                   	range 50-1200 m/z. Source parameters were: drying gas temperature 250°C, drying
MS:MS_COMMENTS                   	gas flow rate 13 L/min, nebulizer pressure 35 psig, sheath gas temp 325°C and
MS:MS_COMMENTS                   	flow 12 l/min, capillary voltage 3500V, internal reference mass correction
MS:MS_COMMENTS                   	enabled. Data analysis was performed using Agilent Profinder 10.0 software in
MS:MS_COMMENTS                   	batch isotopologue extraction mode with automated natural isotope abundance
MS:MS_COMMENTS                   	correction enabled. Compound identification was performed by matching accurate
MS:MS_COMMENTS                   	mass and retention time to those of authentic standards analyzed using the same
MS:MS_COMMENTS                   	method.
MS:CAPILLARY_VOLTAGE             	3500V
MS:DRY_GAS_FLOW                  	13L/min
MS:DRY_GAS_TEMP                  	250 C
MS:FRAGMENT_VOLTAGE              	150V
MS:NEBULIZER                     	35 psig
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	 EicCoreArea/Peak Area
MS_METABOLITE_DATA_START
Samples	2021-10-01_028_A1_E1	2021-10-01_033_A2_E1	2021-10-01_027_A3_E1	2021-11-29_014_A1_E2	2021-11-29_013_A2_E2	2021-11-29_023_A3_E2	2021-11-29_050_A1_E3	2021-11-29_041_A2_E3	2021-11-29_030_A3_E3	2021-10-01_025_B1_E1	2021-10-01_031_B2_E1	2021-10-01_016_B3_E1	2021-11-29_012_B1_E2	2021-11-29_019_B2_E2	2021-11-29_008_B3_E2	2021-11-29_038_B1_E3	2021-11-29_044_B2_E3	2021-11-29_053_B3_E3	2021-10-01_032_C1_E1	2021-10-01_021_C2_E1	2021-10-01_023_C3_E1	2021-11-29_021_C1_E2	2021-11-29_026_C2_E2	2021-11-29_027_C3_E2	2021-11-29_046_C1_E3	2021-11-29_047_C2_E3	2021-11-29_054_C3_E3	2021-10-01_010_D1_E1	2021-10-01_014_D2_E1	2021-10-01_034_D3_E1	2021-11-29_006_D1_E2	2021-11-29_010_D2_E2	2021-11-29_017_D3_E2	2021-11-29_051_D1_E3	2021-11-29_049_D2_E3	2021-11-29_032_D3_E3	2021-10-01_017_E1_E1	2021-10-01_024_E2_E1	2021-10-01_020_E3_E1	2021-11-29_009_E1_E2	2021-11-29_028_E2_E2	2021-11-29_020_E3_E2	2021-11-29_052_E1_E3	2021-11-29_048_E2_E3	2021-11-29_045_E3_E3	2021-10-01_022_F1_E1	2021-10-01_013_F2_E1	2021-10-01_035_F3_E1	2021-11-29_011_F1_E2	2021-11-29_022_F2_E2	2021-11-29_025_F3_E2	2021-11-29_033_F1_E3	2021-11-29_034_F2_E3	2021-11-29_036_F3_E3	2021-10-01_015_G1_E1	2021-10-01_029_G2_E1	2021-10-01_011_G3_E1	2021-11-29_007_G1_E2	2021-11-29_015_G2_E2	2021-11-29_004_G3_E2	2021-11-29_039_G1_E3	2021-11-29_040_G2_E3	2021-11-29_037_G3_E3	2021-10-01_026_H1_E1	2021-10-01_019_H2_E1	2021-10-01_012_H3_E1	2021-11-29_024_H1_E2	2021-11-29_005_H2_E2	2021-11-29_018_H3_E2	2021-11-29_043_H1_E3	2021-11-29_031_H2_E3	2021-11-29_035_H3_E3
Factors	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:2.8G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:16.7G_EtoH_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:2.8G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:16.7G_DHT_30min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:2.8G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:16.7G_EtoH_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:2.8G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min	Treatment:16.7G_DHT_60min
Histidine	319874	337169	300530	205704	280963	179009	210959	183703	204199	879493	904510	671130	564288	508260	561467	504755	501421	628191	333589	339922	290046	207668	196665	213717	176913	176168	179352	911041	633673	664913	530155	518207	599240	560933	570721	663336	309187	313469	402556	228959	212478	230706	188476	221799	192587	1528599	914674	793958	506304	527856	588051	548383	492804	477562	318369	334921	331961	204254	245020	206613	180779	229876	202641	678014	1282056	1061847	596132	587140	535518	574846	559426	588609
Asparagine	700305	850905	706689	257916	242451	344417	138619	154974	119118	879228	1200540	1104074	506996	485864	406949	321231	274363	85450	734452	622581	659709	406179	402112	270489	194029	187038	109677	844697	1149571	0	316174	420221	0	337437	211342	0	643364	687749	821365	245116	366915	217239	191311	133003	303134	1130160	823527	0	551138	451278	0	349284	113127	0	707340	601454	780522	309463	390841	291267	268026	125007	107369	1010357	724386	946572	465839	470251	496134	295490	77791	178429
Glucose	12248922	19599759	13192903	2045900	987368	4238483	7834722	6663910	6197148	20936165	14778266	29501604	4074267	8935499	3524346	17215802	17133543	23285065	17487208	16420750	13903535	3963321	3713171	2067302	11141750	8917228	6632550	24249744	26067673	24723283	2978616	2597116	3820831	19814067	19275367	22960763	15767731	13077586	15122943	987287	1418506	2108740	7597790	7700414	9542916	10188499	22512929	22001383	9460138	3146107	3221923	19951678	18413373	16645057	18638814	10188079	18154997	2350446	2846442	2324703	7632754	6647996	6205883	26185100	26204397	20167421	3354976	1645403	10441756	18831123	18541795	20141021
Glutamine	3988676	5305576	4544906	821045	706155	1153111	450911	399427	312169	5069951	11180850	5293212	1078819	1517111	1486666	706050	529248	399792	3726887	3646403	4002733	1346448	1197627	925439	754135	612268	449603	4754783	7914587	5066648	781351	1256876	879850	790344	554082	642166	4056452	4062322	5218435	671111	730284	1564834	472517	369884	624560	5274208	4404734	6693523	1432865	1360796	1067434	680346	1456862	494790	4560206	3437096	4557826	897909	1158723	865413	1001091	176740	174918	5438869	3807394	5574256	1398129	1072240	1028369	466589	597098	432290
Taurine	34754064	68866888	11983781	15438406	7315854	30302342	12352753	13636102	7933924	3932853	69367576	60737068	15990319	25772676	20685140	20738582	18155364	13309686	48782784	43622400	40266759	27207800	28032634	15347787	27028878	21695532	19132916	57438992	67350448	58656016	17211866	22252378	18189234	23214550	17535082	14755923	56262608	34786430	64428516	6500173	8900435	12858815	18029910	10991980	18175840	67225624	54852104	55596392	16326796	22544808	11013887	26815200	27171252	11404451	59797948	52271292	80728912	19131698	20664504	14509174	15391972	5852949	8271053	39213863	37607092	59174420	11382083	15267349	18186052	17305190	15211195	15385331
Alanine	561633	1207719	616912	582768	59810	31405	265156	16602	397737	539918	774989	724737	81918	86640	82578	169149	82338	40911	1035493	603881	602064	6373	198746	155070	52382	80827	32275	678808	695780	1011251	366368	106273	251532	43441	222143	241197	956273	513079	1000937	52458	32355	67199	38562	26447	313085	642723	433162	1496100	305226	23746	100677	100907	37051	435787	1029619	531787	1118376	37420	56474	80859	66518	50529	294265	603407	455722	1007416	356605	84087	15423	27955	56289	284066
Valine	2994167	3553050	2751233	282872	384521	572555	203787	141877	95316	2264543	2909356	3291733	296671	502041	536566	256844	180803	155319	2591063	2570592	2650824	593980	621832	331068	392899	208376	77667	1949914	3261964	2855546	318009	431594	331474	318161	166597	171627	2984150	2475590	3448610	305384	333383	487299	214420	101495	258022	2607936	2177991	2375033	537788	688783	286894	342336	431197	90201	3004772	2036257	2999710	456591	685117	481573	363851	199383	144473	2922419	1308358	2110583	476017	515370	492834	180552	144496	187968
Methionine	940199	1243558	967918	139643	269815	258106	100706	75742	98784	1413928	1929684	1362850	205358	15575	390318	137394	127639	161734	967387	1246027	982366	293480	353353	201142	252800	149925	26705	1055846	1285457	1223255	195473	206684	200263	129879	142741	175873	1207049	1039860	1346597	157526	157561	243783	97353	107771	184970	1559536	1041080	1826441	236468	340774	212468	169882	206237	113057	1275452	912751	1230240	217537	367651	271428	147800	67793	66463	970038	1123030	1281254	301423	284801	225973	68180	136485	137370
Hypoxanthine	1900768	1231536	506992	4431	365589	7689	18584	55570	28589	914787	879747	1076386	15522	98205	21368	73895	64187	10740	347069	442305	1298581	178360	177742	72118	38951	25177	22767	873701	1026113	1289653	6343	7057	88410	20068	12357	10777	1427663	2181180	2683498	12812	36096	114321	116682	4182	130934	2016690	1620157	1550613	13627	95817	79131	190311	18155	23363	867433	1015910	2495090	154550	172675	149105	147491	48741	13902	1830396	973256	1082766	8676	62481	19474	20203	54272	146778
Xanthine	4478750	3427685	1511205	261822	1882143	727664	254287	275153	224198	2576092	3461886	3930312	317835	386650	416616	368408	267056	287950	2535085	2065468	3533011	833887	926760	535459	617228	383528	30610	2893961	3412319	3371821	466069	456734	7646	475207	250332	398954	3408403	4931145	6808153	319548	340356	498386	487497	15184	752316	5642006	3470363	3760708	496177	527446	359777	762273	874848	309463	2898834	3055999	5615230	714066	969409	787664	428237	246748	168744	3880615	2521765	3314734	634048	362676	607738	316783	290867	393594
Leucine/Isoleucine	22371323	24872130	21946950	2577242	7095874	4161749	1829841	1230827	1644362	21679698	29118641	25190435	1428010	1475437	2435647	1789550	1171974	1819230	23820488	22965328	22186199	4753338	1975439	3275116	3218948	2116366	214665	20783634	24529624	23196793	1142143	2970562	3216805	2441430	1387413	801390	22063761	22729656	27006984	3302743	2889014	1538043	1658943	2168827	1154264	28894067	20500460	34325632	3854253	5637706	3018760	2702165	3242766	477334	23227823	22077798	23996980	3583048	2639215	4689674	2075365	1479185	1049997	18183263	21275775	23720839	4795674	4549679	3835387	1265235	1620919	1767488
Tyrosine	4731913	5732177	4626473	727759	1632271	1156520	596505	398778	443047	5310348	7170066	6070085	1080258	1061801	1259134	495445	336939	523188	5760613	5756917	4672188	1358315	1385257	963579	991210	582470	131604	4370686	5667041	5221337	852206	923754	970373	674400	367410	511894	5103386	4893567	6363710	948927	802175	1181328	451584	666201	790157	7016152	4498452	8395450	1186965	1589140	892754	692568	792120	304677	5364158	4667204	5408512	1088840	2061237	1467523	664198	547740	379992	4235963	4837975	5286632	1472162	1378018	1234985	367767	361854	513924
Leucine	22371323	24872130	21946950	2577242	7095874	4161749	1829841	1230827	1644362	21679698	29118641	25190435	3456393	1475437	2435647	1789550	1171974	1810929	23820488	22965328	22186199	4753338	1975439	3275116	3213870	2116366	214665	20783634	24529624	23196793	2749501	2970562	3216805	2441430	1378307	2071347	22063761	22729656	27006984	3302743	2888855	3858235	1658943	2168827	2833208	28894067	20500460	34325632	3854253	5637706	3018760	2702165	3242654	477334	23227823	22077798	23996980	3583048	6671771	4689674	2075365	1478179	1049997	18183263	21275775	23720839	4795674	4549679	1416069	1245799	1629698	1767488
Glutamic acid	84820507	94761759	80960744	23143471	21262853	39124847	17699091	14068176	15014023	89786868	112000000	96028778	36079634	40149110	42222955	20839757	15602360	23383509	97826690	91433141	94889545	40027117	40414130	23625969	40162360	31898687	5748355	102000000	102000000	93411936	24674552	27351217	32681954	31275123	23033338	30541035	87901986	89443989	112000000	26190662	19115452	35539351	19718793	19287432	30447311	120000000	92102115	132000000	30723419	43760527	28312988	22991237	36966668	13603441	90839834	94833058	102000000	33338644	52873471	42940609	18357875	8242767	7365902	101000000	101000000	101000000	44242012	45061505	35413386	13341991	14488677	15432911
Aspartic acid	87963488	111000000	82871190	28160997	18852090	45710826	8668992	6766849	8874550	83553645	116000000	114000000	32731512	36403166	35251308	10784873	5383935	10609947	120000000	107000000	98823691	45062927	42282710	25457579	27737076	16788668	3552875	112000000	112000000	106000000	17187526	21976063	23088191	17031236	10864125	14786863	86265051	79328447	103000000	20822404	17317722	29962791	9617934	8058900	16235635	109000000	79839193	82068536	24355068	37238360	20711973	8965615	19142906	5665944	90999859	88663394	104000000	26798957	43845566	37153923	6610654	4287280	3755659	82367528	90009257	98310966	29698433	32445226	27040732	5311371	5739617	5899205
Phenylalanine	5280405	5753995	4921442	733657	2153506	1078264	757496	557386	541054	5665486	6555391	5538301	1040741	934650	1182247	585019	483597	689966	5610458	5332144	5006137	1206650	1251567	1046877	1171875	732019	157964	4678976	5299856	5526114	850322	898474	900362	805270	469795	659736	5490776	5421045	6423219	813219	828894	1065052	565331	872338	1007916	6171382	4982666	8988993	947157	1313191	784941	914457	972137	410718	5319000	4982329	5559219	999485	1729325	1221960	838231	642537	521731	4023172	5029154	5686319	15315	1119427	971872	448593	480853	686326
Gluconic acid	8181107	25306024	11025598	733657	2153506	1078264	4173525	3165062	2916789	10268664	23757054	26091650	1040741	934650	1182247	2175150	2615480	4568902	23787468	21439512	14083282	1206650	1251567	1046877	8811274	5063090	938435	15472055	20557056	19408274	850322	898474	900362	4092715	2536805	4237519	14315023	11316227	16666562	813219	828894	1065052	3577834	4140451	7022895	29050086	13097238	16654012	947157	1313191	784941	4992697	5826188	2119754	19067256	10967012	18300568	999485	1729325	1221960	3422315	2638837	2266417	17440140	14423702	26476126	15315	1119427	971872	2604625	1921032	2948216
Adenosine	1993556	1609799	484982	77817	67827	144307	66460	72181	70669	743401	1116991	929361	68813	91132	78119	85806	77525	85550	845392	894907	2016431	182154	183927	388459	121547	143299	26369	1188584	846825	1017704	103938	122181	97408	102728	56179	81050	1715870	3170209	4221647	71085	90801	106613	153495	62665	143166	2321094	1542419	7223386	64963	79258	125291	239683	237495	123338	1210661	2009431	3016796	153055	166315	136036	67756	30179	36464	1301507	970094	896061	95007	107347	107412	39765	81666	106144
Lactic acid	1529447	36977969	9126571	0	0	0	0	0	0	3075958	11873951	13214744	0	0	0	0	0	0	9410187	9587602	9510249	0	0	0	0	0	0	47148607	28514370	53187676	0	0	0	0	0	0	10557843	11257359	4178232	0	0	0	0	0	0	5146080	7399210	61528891	0	0	0	0	0	0	10018728	8046902	35831105	0	0	0	0	0	0	12643378	1407584	45733543	0	0	0	0	0	0
Fructose 6-phosphate	1097944	8533333	1864796	799005	2147790	0	24223	6968803	7560327	548249	600403	2212951	1407285	2052873	1819973	7307553	2301809	1578902	2460422	2965849	1409802	2126576	2223288	0	6989197	6896512	9043883	1690158	3731572	3190069	1541418	1970836	1553454	6956641	6748581	1598249	3063609	2483552	5244094	8488815	1622011		2098028	1697857	6594237	3780080	1505911	21529830	2031198	1257472		6767739	2311019	1277722	1222031	1275959	3161908	1894366	1712291	1681182	7162236	1588176	7583806	1242396	2129068	3214225	1454652	7176	1918808	20706	1993039	1853249
Hexose 6-phosphate	3851215	4226354	3858721	799005	2147790	0	1800767	2042072	1613088	3909777	5868973	4942475	1407285	2052873	1819973	2087680	2279258	1549229	4321257	4112625	3312374	2126576	2223288	0	5298756	5308073	3308151	4672440	4946826	5038408	1541418	1970836	1553454	1793094	1854077		3939947	3393908	3349316	8488815	1622011		1676581	5262348		5771511	4542899	6866545	2031198	1257472		5087198	147422	2374821	3743435	4108727	4031239	1894366	1712291	1681182	1986997	1547036	1637678	2756308	3915702	4772009	1454652	7176	1918808	1727308	1888277	0
Tryptophan	1350186	1957814	1191958	217790	449875	400730	156266	82031	46085	1166171	2183807	1991548	228736	342782	322346	163442	59677	88355	1807142	1503350	1469446	435996	445543	294779	329850	151196		1192221	1920496	1676498	246581	271265	240511	202185	76221	107611	1397036	1491505	2338790	230871	221265	345432	67589	117347	214708	2322073	1271131	3174285	387789	463615	232012	220894	304840	4839	1633386	1249854	1841411	313458	546904	368217	239164	156222	57748	1482505	1156231	1560890	350444	360061	333094	72974	33266	139030
Ribose 5-phosphate	554329	469781	333284	31903	19555	92260	63891	33911	20830	414724	824051	633573	86900	131372	60449	52830	29678		359722	415828	449811	84192	95839	27231	87983	51845	48224	583192	1155057	494003	91482	86857	103852	59207	54404	12073	441629	529333	857526	66170	54766	136446	41137	57149		905643	604297	558707	44298	65216	21391	101028	113475	32620	390201	685435	700555	68490	60354	69305	80304	37201	79570	884766	783505	1026587	133804	121302	0	27185	35285	23906
N-acetyl-D-glucosamine 1-phosphate	691000000	944000000	665000000	44306242	25467775	23561141	27185831	23473863	40563517	87258245	1190000000	1020000000	17220535	19117950	24941895	20963102	29691183	28110331	937000000	34687972	937000000	19898550	20524317	53792367	34816140	34329463	40543762	811000000	1070000000	956000000	41846970	16490494	17716757	22778465	20291330	26063109	923000000	899000000	1020000000	47210598	58766	49676861	25703287	21776258	32410935	1140000000	1010000000	979000000	62902016	23551700	53000518	33746442	26245329	27873645	981000000	1090000000	1070000000	22021787	16707145		18717157	36508323	46070175	633000000	182000000	1150000000	16783167	15837519		27473966	23767356	19257404
sn-Glycero-3-phosphate	3767410	5678278	3080636	1617739	787295	1593420	1462122	1148697	1122335	5571384	10864757	6631411	3086437	5972875	3627930	2598185	2014436	2936304	3460441	2723467	4342989	1729358	1648136	954038	1893998	2200634	460562	8905332	7892128	7295475	2600432	2947400	4398366	2660249	2337505	3058080	3976241	5173402	7139687	833107	609317	1461143	1080386	1081705	1003909	16131443	8076957	9034326	1395574	5651115	1229207	1135668	2992848	1455229	3945004	5306192	6001001	1884375	2246368	1489480	1608306	782182	1016895	7295530	5297496	7838262	2540540	3656512	2343370	2935563	2398354	2885888
Glutathione	575000000	770000000	552000000	37116162	21231060	29395	13303	15663	0	92546360	985000000	859000000	22042	16601	4850	2800	4799	4049	785000000	7875930	787000000	41345	17750104	44572332	4202	3429	1627	309000000	922000000	777000000	24832	90286	34184	0	9681	6728	764000000	755000000	58309578	39463623	1168858	37380	5070	8022	3775	931000000	864000000	808000000	52244068	12385	44097159	10137	17766	7574	868000000	905000000	910000000	30093	22592	15274	6351	0	12814	12577783	27622562	1020000000	21352	20392	28088	1901	289	5494
NAD+	9681078	13107818	9657898	1191195	872231	2139634	1191195	872231	2139634	10833045	18201954	16601147	1721850	1869676	1840753	1721850	1869676	1840753	14798760	14292565	13228957	2343951	2192195	1202570	2343951	2192195	1202570	15035587	16233082	12604300	1263637	1416792	1652564	1263637	1416792	1652564	12486596	12767657	17509660	957222	759098	1209664	1116872	1881958	1034769	19851163	12639320	14828951	1116872	1881958	1034769	957222	759098	1209664	13635381	12712623	17401763	1410001	2373126	1739953	1410001	2373126	1739953	12256396	12038510	16295818	1868265	1825121	1539319	1868265	1825121	1539319
GMP	2651697	3451249	1589559	236808	209917	462262	148190	206653	140341	725383	857283	1018352	187608	271664	280602	147461	145146	201630	1396942	1414887	2216733	532717	629327	707462	381071	296068	65649	1006485	972729	2395210	407976	323743	425567	249163	151047	234585	2831714	2352277	5238545	210381	182453	318982	333850	194086	424923	2151110	1205133	5571196	219751	358373	268427	488812	486943	225194	1652289	1988185	2618620	669702	741471	592643	183602	88476	116917	1204778	1117782	1040402	373184	571447	325928	144579	152537	215262
Pantothenic acid	3264254	4559541	3137482	349122	312584	556914	268444	187995	131971	3620160	9551319	4334943	497717	626862	629954	338660	237318	267706	4107844	3923922	3943088	663652	554259	344952	473809	385302		4579877	5978800	4029508	282170	345019	392697	414454	280773	423956	3229734	3919143	7432255	323607	267913	463819	256001	243280	389582	8632572	3342154	5044464	415972	734285	390948	333293	554492	192676	3643208	3754463	4730122	344760	695882	531879	424527	117494	46231	3206733	3847366	5181252	470101	512725	407277	255103	206393	234280
AMP	65144704	41147888	15411450	2142187	1659765	4157386	1123504	1671789	1074157	22511696	40019313	23297938	1401215	1748791	2430846	1359068	1404168	1342683	26102687	32158904	60548012	4902870	6199308	6229243	3280866	2670117	499578	41814710	28469922	39108562	4680518	3220055	4665743	2557719	1630986	2943920	45441806	67817528	204000000	1541364	1943624	3257018	4106305	2204526	4763648	101000000	46631034	71945470	2774643	3013637	2473924	7264159	5713898	2501359	50595254	65709774	120000000	7848252	6573735	6006615	1925698	990645	879040	39974829	33165263	36299168	3599114	6553552	3200337	1061842	1833067	2060486
Oxidized glutathione	88697119	102000000	85328228	10103705	7112632	12490997	10103705	7112632	12490997	88758734	123000000	95320290	11792175	14476052	12316287	11792175	14476052	12316287	112000000	105000000	110000000	16264728	12997745	8911191	16264728	12997745	8911191	97838808	95704042	87910081	8141812	7904381	9291775	8141812	7904381	9291775	103000000	108000000	119000000	7360600	9752644	8495667	9258271	13747180	7182837	112000000	78526356	77610129	9258271	13747180	7182837	7360600	9752644	8495667	103000000	113000000	121000000	7911225	16389090	13218072	7911225	16389090	13218072	60039158	82169256	90051046	16190831	12130604	10220216	16190831	12130604	10220216
Succinic acid	12702245	9427236	7751531	1841649	2021599	2073438	2147211	2225129	2055302	8855640	10495957	9903152	1915968	1894138	1969109	2179088	2234901	2048178	8158693	7450230	8217432	1979122	1926101	2387475	2026815	2039043	1705785	9758897	8970224	8514036	1966025	1995466	1956491	2186353	2181953	2197166	9348292	8158392	8049835	1920115	2086669	2023049	2298186	2241641	2337828	11248239	8140447	7892239	1925103	2088267	1921081	2412653	2102060	2106584	7780313	7417001	8301435	1932373	1962500	1952333	2270289	2258057	2148366	6550920	9058954	10065659	2027788	2064472	2044607	2130772	2050146	2291239
Phosphocreatine	484377	1158225	1062060	142455	199199	200716	122754	97052	62414	999246	1732285	1528583	177899	224185	198443	86040	137053	140624	1548170	1007117	799071	244535	260676	127943	116680	83376		1120711	1795233	1384824	110296	202881	173878	122124	62997	110409	809675	887839	1322386	186085	104255	206387	94351	87468	134634	1508645	815019	1095241	125933	232768	126488	140602	122904	88800	1070936	678496	1180151	176139	355937	269090	202988	35924	64200	874768	1041188	1500114	162738	167553	187303	110043	41893	53054
UDP-N-acetylglucosamine	126000000	163000000	116000000	11111525	7305861	20263229	17565283	14382435	11783572	131000000	205000000	195000000	17381760	18779060	17529748	15748875	13054756	18937788	174000000	185000000	165000000	23850066	22154021	11599813	34133149	25254167	4743954	180000000	194000000	161000000	11933702	13231726	15591411	24476435	16275471	20654164	154000000	162000000	224000000	9850877	7737286	13223650	18956487	17182313	27605842	230000000	154000000	173000000	11934183	19839001	10112771	27695426	30290361	12297247	175000000	172000000	224000000	14692731	27140095	21291762	17294746	10819208	9033725	152000000	144000000	203000000	19959148	20302777	17107048	17169641	12517914	15964058
Malic acid	22774421	24600793	17431623	1367906	1511272	2405356	1225799	1398754	1135104	29743652	62284432	47822113	4955029	4912594	5991742	3589986	2803486	3397703	26211477	26644202	26602161	2482782	2500546	1696584	2306433	2189214	594379	56723452	58929535	42228723	3615785	3996179	4597643	5070764	3553740	4399812	21597774	21114557	32872552	1497968	1337591	2186693	1752396	1662458	2207120	81640653	49966263	59311950	3403401	4951709	3277572	5300276	6987865	3424467	23141528	25740744	29783556	2108883	3128476	2257431	1758118	1002355	799154	36626137	49479515	63335606	5341971	5464025	4632821	3237772	2919462	3606220
Fumaric acid	7650656	8386418	6256970	1458009	1241833	2560322	1135586	1160686	955784	7977245	25740353	17451541	2444411	2744967	3120105	1479768	1046389	1417037	8738245	8897153	8568646	2483751	2528647	1562966	2282861	1948391	478335	18954090	16545703	15457268	1640971	1821141	2094216	2081701	1483972	1903797	7702999	8232189	11118211	1393532	1240742	1740001	1483011	1313353	1937252	18161076	7767838	8375213	1890049	2995449	1818541	2031997	2554911	1253189	7833480	8668893	9548533	1946327	3047478	2441411	1223017	747343	682942	7303653	7730824	9033829	1314331	2696954	2163335	1246446	1226997	1365710
UDP-glucose	20775179	30572013	21060426	1817462	1478854	3625757	3356988	2503081	2033354	18903876	31362615	29781807	2804631	2912689	2849060	2472056	2095491	3145324	32777148	30593161	29368887	4373013	3993523	2281240	5504102	4129694	871312	27276740	28953254	25108167	1908093	2385142	2676792	3569309	2300748	3107333	30336135	28540497	42448326	1540215	1204653	2387945	3637104	2983454	4355718	34869971	24771247	28338090	1862254	3038116	1777523	3544419	4649774	1762626	32487787	30602639	43117056	2553405	4514178	3340898	3497125	1986208	1799030	22769143	22021371	31302416	3081579	2966514	2671178	2259806	1843849	2255924
UDP	6015117	7385283	3272934	347580	240988	793924	157817	319828	113494	3858443	5724102	6683669	292203	402844	419537	345071	244734	180537	5402061	6919394	7784438	893628	860345	353693	781249	611476	142769	6677061	7557284	8051863	508922	490730	587313	687730	385517	566149	6095362	7145630	15371889	276849	279125	516328	693364	427124	907379	10810133	5639917	13737498	470280	624124	327674	1124228	1168851	508216	6525492	6298636	10848392	715608	876070	751962	388692	201934	137649	5227027	3652920	7138412	637403	763320	579941	316685	353470	342668
GDP	2153181	1724152	897758	106895	69423	226812	64414	108281	52016	1351410	2018318	1790689	97423	112302	114242	111139	74506	69810	1677012	1970196	2609974	222770	231576	91039	247840	185476	38146	2186177	2009827	1980468	145674	129881	150150	187077	103168	133794	1868450	2695281	2393902	74526	72357	123469	190751	134435	251780	3121869	1987163	3078910	112912	151426	82315	296328	304192	121970	2350332	2359860	3573321	186176	205015	177334	128576	67077	51879	1788418	1272947	1907548	159416	200388	145134	99213	104898	90769
Phosphoglyceric acid	1324682	1317594	900250	224173	184603	422794	319292	223238	190751	1706742	2854765	2920905	545866	804347	709038	403722	275246	380092	1435409	1300891	1260049	278001	356869	229015	538861	316658	66606	2168851	3163264	2492615	401784	486815	502946	828849	548831	543486	1127168	1216909	2097488	170809	142594	264583	221683	151869	170465	3253682	1840485	1559944	327186	681680	380132	432687	727893	331031	1095494	881173	1673033	312797	397961	278228	240201	97354	89084	2007644	1519589	2480925	490174	600845	428894	375306	342863	341363
NADP+	300651	304948	191329	21910	14799	40572	21910	14799	40572	221642	348870	355958	20898	24358	31569	20898	24358	31569	251108	338886	295765	52073	44485	25713	52073	44485	25713	293163	342536	318063	27140	28160	29780	27140	28160	29780	256271	293142	462678	12622	12963	28039	20799	38408	21480	434806	235629	492580	20799	38408	21480	12622	12963	28039	303213	276442	442285	30789	48083	38547	30789	48083	38547	232390	344476	404015	30254	34133	30695	30254	34133	30695
NADH	373819	1375774	782675	13421	11312	22734	13421	11312	22734	942045	1563712	1111917	23990	31281	28536	23990	31281	28536	888250	1075094	745037	26256	27262	14234	26256	27262	14234	1428961	1951478	1025895	16250	14814	20419	16250	14814	20419	942958	790480	1188490	10019	25575	21124	22087	27152	21222	1601242	1059383	462903	22087	27152	21222	10019	25575	21124	740392	821102	1296738	20369	45036	38333	20369	45036	38333	1405905	738719	1704990	34129	27578	30548	34129	27578	30548
Fructose 1,6-bisphosphate	2422581	3176191	1473283	358215	289204	572577	153504	140229	96011	6969309	11089707	8572564	665054	1085068	934828	483646	350205	383668	4113667	4105675	3507826	522518	567625	266507	418250	305689	76320	9008271	11864631	7442328	634197	755459	1014616	1362032	897796	963820	2914890	2933743	3923407	321653	178450	371796	287331	281621	459707	13206024	7674054	6222274	559779	930567	534284	1362333	1456400	597585	3490054	3674649	4041411	459919	1090206	616268	314578	86212	80146	7765679	8277775	11439025	1197263	970997	770730	611651	505505	432572
ADP	55033168	54779771	27549245	2973046	2406641	6717474	2156757	3386065	1642605	35651849	49743556	56059024	3184894	3478982	3967024	3181228	2394095	2301329	53578843	61629539	69145937	7531847	7793493	4517968	7706412	5451539	1259650	60195280	56172197	59699600	4185865	4090792	5330734	5931928	3211414	4870559	56972501	66534825	119000000	2547767	2339702	4106563	7043139	4282076	8940309	87416351	54539420	105000000	3717306	5123540	3069393	10594317	9558678	3799967	62626134	63105942	85101648	6082344	7789558	6539975	4222487	2260308	1656380	42973062	39538671	65715486	5614218	7075843	4864858	2910716	3282292	3302886
Citric acid/Isocitric acid	48510069	82997525	67160247	950439	949427	1376101	5188923	4348567	5025579	72057078	323000000	81533361	891660	1501190	1010471	7561332	6749258	4642734	139000000	83102720	101000000	1735661	792022	920617	3586883	4542083	5539165	62984655	119000000	73741654	975943	813252	831835	8688491	7618572	9113218	73896953	67146831	141000000	1276153	3910091	1030439	7749663	2865498	1192153	117000000	116000000	87891508	1035585	1079695	1286876	7221364	7239270	1106862	77587275	54699314	78505916	1245676	916785	1027728	8265292	7385115	3305759	84518833	306000000	99588596	1261275	1210159	1729188	8728768	10791897	1200482
UDP-glucuronic acid	30985717	48863886	34413481	2854956	2846205	6686621	2399639	1669717	1766912	37444057	69562297	64805637	4760877	5317223	5560694	1922008	1716874	2810064	55712444	53568953	50059235	6573172	7111946	3281830	5043261	3786816	844086	49936240	65510653	46616826	3644862	4005811	5094974	3865238	1999879	3025145	45617704	45055301	72130776	2878724	1695013	3277486	2246128	2509008	3723685	84698777	49055101	57435736	2515626	4723746	2620999	3071794	4416695	1794312	51698685	41847771	67042978	4399334	8422263	5532096	2687488	1269644	1325228	40218477	46835985	62450002	5100880	5062367	4643751	2004856	1641422	2236907
UTP	12155832	19970291	14934258	2281222	2400666	1938096	2264764	1922091	3940284	12746810	32320968	16173822	1920089	3483975	1985917	2680132	2426525	3568085	26393099	14777224	25356313	2933276	2208123	1851063	2587562	2090818	2390567	719294	16228493	17152198	3315525	2257166	1731101	3203280	2051683	2112788	19696655	14476529	14684079	3698234	2217079	1935816	2241328	3629404	2490039	16661528	19970384	15847436	2510363	1813152	2014090	2294247	2834095	2703960	20663756	7753312	14208005	2263015	1684383	1866239	4329629	2820090	1990120	12944787	33103375	17111134	3464250	1638810	2603214	3226212	3287395	3306426
FAD	811744	1162184	710241	811745	1162184	717831	811745	1162184	717831	843977	1508918	1269062	853381	1508917	1269061	853381	1508917	1269061	1201925	1233577	1132066	1201925	1233577	1132066	1201925	1233577	1132066	1143262	1353939	1088085	1146852	1356509	1088085	1146852	1356509	1088085	1077550	1135173	1654983	1088629	1135172	1654983	1732051	1010908	1132677	1732049	1010908	1132677	1732051	1010908	1132677	1088629	1135172	1654983	1117562	1042927	1523239	1121519	1042927	1523240	1121519	1042927	1523240	1037162	990330	1593895	1045667	993854	1593894	1045667	993854	1593894
NADPH	206993	1055719	724200	15724	28764	16384	15724	28764	16384	774188	1256617	905391	22138	9113	8638	22138	9113	8638	929380	975431	918521	23065	12692	5434	23065	12692	5434	991650	1389453	701979	24223	10024	61456	24223	10024	61456	1031416	907831	1188618	14859	4749		21438	5743	18960	1255032	1010637	239539	21438	5743	18960	14859	4749		927069	874525	1064589	12828		27341	12828		27341	870607	158125	1147885	22181	6108	22009	22181	6108	22009
GTP	5280044	11450733	5909630	1316425	867419	1393343	1358549	1247049	1335545	6503587	10032599	6655792	1173396	737813	930132	2655326	1459579	1019987	12560590	9934890	8033703	911406	1027451	900034	1024199	1482163	1494968	703605	6015691	9338800	1219491	1254529	1230396	2334514	1954693	1178439	6253472	7459135	11684148	901864	1108436	1081334	1730132	1167413	1530329	7660479	5676174	7569042	1093273	1158084	1373304	2362630	1003321	1489073	6731070	4688710	3092835	1427751	1042306	922534	1396316	2763366	1182825	5806365	11837087	4840764	1289080	1143648	804721	1866088	1067655	1474923
ATP	39842317	72772090	46446839	6427194	4939448	5471101	6549195	5873552	8831188	44331672	102000000	59024926	4924425	6157348	4540246	8029720	6534654	8144224	93281066	57359162	75060960	8071531	7264095	4689262	7964766	7822877	6536553	2228733	59674447	59356004	7777881	5714368	4811587	10089895	6812720	5687887	60887391	54552255	69486314	8365219	6077669	4542138	6530398	8236050	8909522	65738347	67417184	50427352	7599829	6078508	4680562	7386743	8038004	7091929	66183410	29964343	41759671	5251758	4691602	4592103	14606467	9020815	5376594	42523779	118000000	59512331	7102585	5210898	6073510	11776861	6237572	9629701
Acetyl-CoA	1423793	1908198	1088125	57307	59815	94060	50189	50495	47050	1198786	2146426	1735189	85695	75572	94023	22166	0	67397	1607278	1706199	2118660	115751	105735	99906	71357	98831	18300	1797276	1750579	1421975	56390	88767	86000	42727	0	62077	2086235	2190617	3484810	54864	63417	117327	0	42703	53845	3044228	1963023	1698058	51883	85840	54657	27563	74025	0	2108064	2076604	3019985	95927	104373	116493	37485	32688	31043	1521135	1429739	2180459	66726	116740	80287	32153	0	46517
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Tgt_RT_min	RT_tolerance_min	m/z_tolerance_ppm	Formula	Abundance metric
Histidine	1.18	0.5	20	C6H9N3O2	EicCoreArea
Asparagine	1.22	0.5	20	C4H8N2O3	EicCoreArea
Glucose	1.25	0.5	20	C6H12O6	EicCoreArea
Glutamine	1.29	0.5	20	C5H10N2O3	EicCoreArea
Taurine	1.3	0.5	20	C2H7NO3S	EicCoreArea
Alanine	1.4	0.5	20	C3H7NO2	EicCoreArea
Valine	1.44	0.5	20	C5H11NO2	EicCoreArea
Methionine	1.8	0.5	20	C5H11NO2S	EicCoreArea
Hypoxanthine	2.1	0.5	20	C5H4N4O	EicCoreArea
Xanthine	2.2	0.5	20	C5H4N4O2	EicCoreArea
Leucine/Isoleucine	2.2	0.5	20	C6H13NO2	EicCoreArea
Tyrosine	2.2	0.5	20	C9H11NO3	EicCoreArea
Leucine	2.35	0.5	20	C6H13NO2	EicCoreArea
Glutamic acid	3.75	0.5	20	C5H9NO4	EicCoreArea
Aspartic acid	4.3	0.5	20	C4H7NO4	EicCoreArea
Phenylalanine	4.5	0.5	20	C9H11NO2	EicCoreArea
Gluconic acid	5.3	0.5	20	C6H12O7	EicCoreArea
Adenosine	5.6	0.5	20	C10H13N5O4	EicCoreArea
Lactic acid	6.2	0.5	20	C3H6O3	EicCoreArea
Fructose 6-phosphate	6.6	0.5	20	C6H13O9P	EicCoreArea
Hexose 6-phosphate	6.6	0.5	20	C6H13O9P	EicCoreArea
Tryptophan	6.6	0.5	20	C11H12N2O2	EicCoreArea
Ribose 5-phosphate	6.6	0.5	20	C5H11O8P	EicCoreArea
N-acetyl-D-glucosamine 1-phosphate	6.7	0.5	20	C8H16NO9P	EicCoreArea
sn-Glycero-3-phosphate	6.8	0.5	20	C3H9O6P	EicCoreArea
Glutathione	6.8	0.5	20	C10H17N3O6S	EicCoreArea
NAD+	7.2	0.5	20	C21H27N7O14P2	EicCoreArea
GMP	8	0.5	20	C10H14N5O8P	EicCoreArea
Pantothenic acid	8.5	0.5	20	C9H17NO5	EicCoreArea
AMP	8.6	0.5	20	C10H14N5O7P	EicCoreArea
Oxidized glutathione	9	0.5	20	C20H32N6O12S2	EicCoreArea
Succinic acid	9.18	0.5	20	C4H6O4	EicCoreArea
Phosphocreatine	9.22	0.5	20	C4H10N3O5P	EicCoreArea
UDP-N-acetylglucosamine	9.3	0.5	20	C17H27N3O17P2	EicCoreArea
Malic acid	9.35	0.5	20	C4H6O5	EicCoreArea
Fumaric acid	9.38	0.5	20	C4H4O4	EicCoreArea
UDP-glucose	9.4	0.5	20	C15H24N2O17P2	EicCoreArea
UDP	9.7	0.5	20	C9H14N2O12P2	EicCoreArea
GDP	9.7	0.5	20	C10H15N5O11P2	EicCoreArea
Phosphoglyceric acid	9.75	0.5	20	C3H7O7P	EicCoreArea
NADP+	9.8	0.5	20	C21H28N7O17P3	EicCoreArea
NADH	9.9	0.5	20	C21H29N7O14P2	EicCoreArea
Fructose 1,6-bisphosphate	9.9	0.5	20	C6H14O12P2	EicCoreArea
ADP	9.96	0.5	20	C10H15N5O10P2	EicCoreArea
Citric acid/Isocitric acid	10	0.5	20	C6H8O7	EicCoreArea
UDP-glucuronic acid	10.6	0.5	20	C15H22N2O18P2	EicCoreArea
UTP	10.6	0.5	20	C9H15N2O15P3	EicCoreArea
FAD	10.64	0.5	20	C27H33N9O15P2	EicCoreArea
NADPH	10.7	0.5	20	C21H30N7O17P3	EicCoreArea
GTP	10.7	0.5	20	C10H16N5O14P3	EicCoreArea
ATP	10.9	0.5	20	C10H16N5O13P3	EicCoreArea
Acetyl-CoA	11.4	0.5	20	C23H38N7O17P3S	EicCoreArea
METABOLITES_END
#END