#METABOLOMICS WORKBENCH amitch_20151112_9037451_mwtab.txt DATATRACK_ID:412 efahy_20151226_124353 STUDY_ID:ST000288 ANALYSIS_ID:AN000458 PROJECT_ID:PR000230
VERSION             	1
CREATED_ON             	December 26, 2015, 12:43 pm
#PROJECT
PR:PROJECT_TITLE                 	Identification of Factors Influencing Nucleoside Analog Sensitivity
PR:PROJECT_SUMMARY               	The metabolomic profiles of cytogenetically different AML cell lines are
PR:PROJECT_SUMMARY               	associated with variability in response of these cell lines to nucleoside
PR:PROJECT_SUMMARY               	analogs. The treatment with nucleoside analog (cytarabine) would result in
PR:PROJECT_SUMMARY               	changes in the metabolomic profile of the AML cell lines.
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Pharmacotherapy and Translational Research
PR:LAST_NAME                     	Lamba
PR:FIRST_NAME                    	Jatinder
PR:ADDRESS                       	-
PR:EMAIL                         	jlamba@cop.ufl.edu
PR:PHONE                         	352-273-6425
#STUDY
ST:STUDY_TITLE                   	Metabolomic profiling of AML Cell Lines
ST:STUDY_TYPE                    	In vitro study
ST:STUDY_SUMMARY                 	In vitro study with AML cell lines that are treated with different
ST:STUDY_SUMMARY                 	concentrations of cytarabine (nucleoside analog). 8 AML cell lines were
ST:STUDY_SUMMARY                 	incubated for 24hr with 0uM, 1uM and 10uM ara-C. After 24hr the cells were
ST:STUDY_SUMMARY                 	washed and pellets were stored in -80°C for genomic and metabolomic analysis.
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	SECIM
ST:LAST_NAME                     	Bhise
ST:FIRST_NAME                    	Neha
ST:ADDRESS                       	-
ST:EMAIL                         	nbhise@cop.ufl.edu
ST:PHONE                         	352-294-5745
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	24
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:SUBJECT_COMMENTS              	Lamba_Subjects_20150210.docx
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Lamba_HL60_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_HL60_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_HL60_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MV-411_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MV-411_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MV-411_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_Kasumi1_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_Kasumi1_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_Kasumi1_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_THP1_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_THP1_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_THP1_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_AML193_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_AML193_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_AML193_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_KG1_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_KG1_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_KG1_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MOLM16_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MOLM16_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_MOLM16_3	Cytarabin Treatment (uM):10	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_ME1_1	Cytarabin Treatment (uM):0	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_ME1_2	Cytarabin Treatment (uM):1	
SUBJECT_SAMPLE_FACTORS           	-	Lamba_ME1_3	Cytarabin Treatment (uM):10	
#COLLECTION
CO:COLLECTION_SUMMARY            	See protocol file
CO:COLLECTION_PROTOCOL_FILENAME  	Lamba_Collection_20150210.docx
CO:SAMPLE_TYPE                   	Cells
#TREATMENT
TR:TREATMENT_SUMMARY             	See treatment file
TR:TREATMENT_PROTOCOL_FILENAME   	Lamba_Treatment_20150210.docx
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	See files
SP:SAMPLEPREP_PROTOCOL_FILENAME  	cell_pellet_preparation.pdf, Appendix C_Protein_DNA_quant.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Scientific-Dionex Ultimate 3000
CH:COLUMN_NAME                   	ACE Excel 2 C18-PFP (100 x 2.1mm, 2um)
CH:METHODS_FILENAME              	Metabolomics_LCMSProtocol.pdf
CH:INTERNAL_STANDARD             	Appendix A - Internal Standard Prep GLCMS.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Metabolomics_LCMSProtocol.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_NAME               	Thermo Scientific- Q Exactive
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	Lamba_HL60_2	Lamba_AML193_3	Lamba_HL60_1	Lamba_MV-411_3	Lamba_MV-411_1	Lamba_AML193_2	Lamba_MOLM16_2	Lamba_ME1_2	Lamba_ME1_1	Lamba_KG1_2	Lamba_MOLM16_3	Lamba_THP1_1	Lamba_AML193_1	Lamba_ME1_3	Lamba_KG1_1	Lamba_KG1_3	Lamba_Kasumi1_2	Lamba_THP1_3	Lamba_MOLM16_1	Lamba_MV-411_2	Lamba_HL60_3	Lamba_Kasumi1_1	Lamba_THP1_2	Lamba_Kasumi1_3
Factors	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):10	Cytarabin Treatment (uM):0	Cytarabin Treatment (uM):1	Cytarabin Treatment (uM):10
(R)-MALATE	2.22E+05	3.59E+05	8.38E+04	4.46E+05	2.11E+05	5.24E+04	1.69E+05	1.13E+05	1.22E+05	1.49E+06	3.69E+05	1.07E+05	6.17E+05	1.31E+05	2.16E+05	1.24E+05	1.3E+05	1.6E+05	6.42E+05	9.32E+05	3.14E+05	1.64E+05	1.96E+05	2.37E+05
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	4.26E+06	4.06E+06	1.51E+06	8.05E+06	2.17E+06	1.12E+06	2.75E+06	4.62E+06	3.72E+06	5.12E+06	7.83E+06	6.45E+06	4.6E+06	4.15E+06	1.61E+06	2.9E+06	1.46E+06	2.42E+06	1.1E+07	1.4E+07	6.98E+06	1.65E+06	5.78E+06	4.12E+06
3'-CMP	4.22E+03	4.26E+04	4.47E+03	4.79E+05	1.92E+05	8.96E+03	2.36E+05	3.17E+03	5.26E+03	2.04E+04	6.4E+04	3.42E+05	2.47E+04	0	6.64E+03	1.85E+04	4.02E+04	4.02E+05	1.16E+05	7.49E+05	5.23E+04	1.63E+04	3.96E+05	9.27E+04
3-METHYLHISTAMINE	1.18E+03	770	2.2E+04	1.14E+03	680	793	7.24E+04	0	4.16E+03	623	2.14E+06	1.38E+03	3.34E+03	1.28E+03	2.18E+03	720	1.16E+03	884	3.35E+06	9.55E+03	2.41E+04	537	6.89E+03	1.07E+03
4-GUANIDINOBUTANOATE	1.09E+06	3.62E+05	3.32E+05	1.23E+06	7.05E+05	7.13E+04	3.99E+05	3.73E+05	3.96E+05	6.83E+05	5.22E+05	4.48E+05	2.19E+06	6.28E+05	4.99E+05	5.09E+05	3.33E+05	5.01E+05	6.59E+05	1.33E+06	2.76E+05	4.52E+05	3.53E+05	4.27E+05
4-HYDROXY-L-PHENYLGLYCINE	7.08E+03	1.24E+05	2E+04	8.51E+05	1.23E+05	1.6E+04	5.71E+03	9.03E+04	2.82E+04	2.16E+06	3.96E+04	1.85E+05	6.9E+04	6.48E+04	7.36E+04	4.36E+04	2.99E+04	1.14E+05	2.14E+04	7.4E+05	1.97E+05	9.47E+03	1.48E+05	1.05E+05
4-HYDROXYPROLINE	2.58E+05	2.18E+05	1.85E+05	1.03E+05	8.44E+04	3.63E+04	3.88E+05	1.08E+06	9.76E+05	4.95E+05	4.99E+06	2.9E+06	1.89E+05	1.23E+06	3.14E+05	3.23E+05	1.71E+06	1.02E+06	1.03E+07	5.56E+05	7.04E+05	1.21E+06	4.21E+06	3.24E+06
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5'-MONOPHOSPHATE	1.94E+05	0	1.08E+04	0	8.6E+03	0	0	0	0	0	0	9.35E+05	0	0	2.89E+03	0	0	1.59E+05	1.58E+05	708	8.8E+03	1.23E+03	9.09E+05	590
5-OXO-L-PROLINE	7.27E+06	2.77E+07	4.88E+06	1.07E+07	9.95E+06	3.03E+06	3.38E+07	2.81E+07	1.25E+07	2.04E+07	1.3E+07	7.23E+06	1.04E+08	6.9E+06	1.42E+07	7.97E+06	1.27E+07	3.91E+06	1.39E+07	5.7E+07	1.4E+07	8.45E+06	1.39E+07	7.06E+06
ADENINE	2.2E+06	1.15E+06	7.59E+05	8.12E+06	2.39E+06	1.34E+05	2.87E+05	3.29E+06	3.99E+06	1.39E+07	6.71E+06	3.56E+06	9.4E+05	1.09E+06	2.38E+06	2.03E+06	1.51E+06	2.74E+06	2.48E+07	1.01E+07	7.67E+06	4.05E+06	3.38E+06	6.04E+06
ADENOSINE	1.37E+06	2.26E+06	8E+05	1.31E+06	7.25E+05	6.03E+05	1.15E+06	4.08E+05	3.05E+05	8.66E+05	2.48E+06	3.72E+06	9.14E+05	3.9E+05	8.75E+05	5.84E+05	3.11E+05	2.62E+06	3.2E+06	2.07E+06	1.89E+06	1.09E+06	2.26E+06	1.25E+06
ADENOSINE 5'-MONOPHOSPHATE	1.09E+07	7.27E+06	4.27E+06	2.6E+07	7.86E+06	1.64E+06	3.11E+06	1.47E+07	1.39E+07	3.72E+07	2.86E+07	1.93E+07	5.31E+06	1.22E+07	1.12E+07	1.51E+07	7.82E+06	1.4E+07	6.54E+07	6.23E+07	2.92E+07	9.12E+06	2.11E+07	1.92E+07
ALANINE/SARCOSINE	6.9E+06	4.44E+06	2.3E+06	1.24E+07	2.57E+06	1.21E+06	7.54E+06	9.93E+06	7.11E+06	6.13E+06	1.92E+07	7.7E+06	9.86E+06	9.05E+06	2.45E+06	3.62E+06	3.26E+06	3.46E+06	2.45E+07	2.14E+07	1.01E+07	2.87E+06	7.62E+06	4.67E+06
ALDO/KETO-HEXOSE	5.93E+06	9.21E+06	1.53E+06	5.32E+07	4.95E+06	1.84E+06	5.21E+06	9.44E+06	7.69E+06	3.16E+08	1.51E+07	1.76E+07	4.82E+06	8.98E+06	4.57E+06	6.08E+06	6.84E+06	1.29E+07	2.36E+07	2.39E+07	7.76E+06	7.86E+06	2.95E+07	1.79E+07
ALDOPENTOSE	1.56E+06	2.05E+06	3.06E+05	3.9E+06	7.26E+05	4.75E+05	5.22E+05	7.9E+05	8.19E+05	7.05E+05	1.95E+06	4.59E+06	2.38E+05	1.17E+06	6.34E+05	1.25E+06	5.46E+05	9.42E+05	2.48E+06	7.36E+06	2.54E+06	1.41E+06	4.5E+06	2.73E+06
ASPARTATE	5.56E+06	6.44E+06	1.16E+06	1.21E+07	2.01E+06	1.21E+06	8.37E+06	8.28E+06	3.89E+06	2.52E+06	6.45E+06	3.87E+06	2.03E+07	3.19E+06	1.31E+06	1.24E+06	3.93E+06	2.64E+06	9.74E+06	2.55E+07	9.94E+06	2.32E+06	7.67E+06	5.45E+06
BETAINE	4.23E+07	3.92E+07	5.93E+07	2.56E+07	5.61E+07	3.48E+07	4.21E+07	3.78E+07	4.69E+07	6.42E+07	3.46E+07	4.57E+07	6.08E+07	4.23E+07	5.86E+07	5.62E+07	4.29E+07	5.26E+07	3.75E+07	3.92E+07	2.32E+07	3.19E+07	3.25E+07	2.91E+07
Caffeine-D3	1.37E+07	1.07E+07	1.05E+07	8.2E+06	1.24E+07	6.24E+06	9.71E+06	9.11E+06	9.94E+06	8.46E+06	8.44E+06	1.35E+07	9.85E+06	9.07E+06	8.81E+06	1.42E+07	9.85E+06	1.26E+07	3.55E+07	8.71E+06	9.19E+06	9.06E+06	1.04E+07	1.35E+07
CITRATE	5.78E+05	1.76E+06	3.72E+05	6.86E+05	4.42E+05	5.24E+05	2.98E+05	1.26E+06	1.33E+06	3.15E+07	3.69E+06	3.25E+05	2.89E+06	1.31E+06	2.85E+06	3.32E+06	9.42E+05	1.46E+05	6.63E+06	7.28E+05	8.53E+05	9.92E+05	1.69E+05	1.64E+06
CITRULLINE	6.85E+05	1.19E+06	8.04E+05	1.33E+06	2.36E+06	2.4E+05	4.87E+06	1.76E+06	2.33E+06	2.63E+06	1.1E+06	1.35E+06	5.3E+06	1.84E+06	3.8E+06	2.09E+06	1.92E+06	7.34E+05	9.93E+05	5.64E+06	9.49E+05	2.55E+06	1.22E+06	1.27E+06
CMP	1.16E+06	9.51E+05	6.61E+05	4.09E+06	1.07E+06	2.82E+05	5.24E+05	1.62E+06	1.18E+06	6.95E+06	3.97E+06	5.44E+06	4.93E+05	2.36E+06	1.33E+06	3.06E+06	9.38E+05	1.01E+06	7.62E+06	5.53E+06	3.2E+06	1E+06	2.83E+06	4.91E+06
CREATININE	1.07E+06	8.16E+05	4.69E+05	3.5E+06	1.57E+06	3.92E+06	3.52E+06	1.01E+06	8.62E+05	2.84E+06	6.21E+06	6.07E+06	6.25E+06	1E+06	1.28E+06	7.93E+05	5.89E+05	1.94E+06	7.26E+06	6.13E+06	1.3E+06	1.21E+06	4.53E+06	1.4E+06
CYTIDINE	5.3E+05	1.59E+06	2.21E+05	2.57E+06	1.24E+06	3.98E+05	1.85E+06	3.53E+06	4.16E+06	1.47E+07	1.37E+07	2.08E+07	5.15E+05	3.45E+06	3.4E+06	7.68E+06	6.22E+05	1.58E+06	3.65E+07	5.6E+06	4.28E+05	2.35E+06	1.07E+07	7.38E+06
CYTOSINE	4.11E+05	3.87E+05	2.11E+05	1.23E+06	3.39E+05	1.02E+05	1.83E+05	6.62E+05	4.77E+05	1.94E+06	1.17E+06	1.76E+06	1.78E+05	1.82E+06	4.59E+05	9.64E+05	3.47E+05	4.91E+05	2.19E+06	1.66E+06	1.14E+06	2.95E+05	1.1E+06	1.49E+06
D-(+)-RAFFINOSE	1.21E+03	5.39E+03	845	1.63E+04	1.32E+03	3.67E+03	5.91E+03	2.24E+03	1.23E+03	2.82E+06	4.55E+03	1.11E+05	3.83E+04	1.34E+03	8.74E+03	4.12E+03	2.28E+03	5.07E+03	2.37E+03	1.08E+04	1.39E+03	1.78E+04	1.39E+04	2.19E+03
DEOXYCARNITINE	1.92E+05	2.77E+05	7.2E+04	6.71E+05	9.9E+04	2.59E+05	8.81E+04	6.46E+05	5.08E+05	1.36E+06	3.99E+05	1.16E+06	2.46E+05	5.69E+05	4.16E+05	6.81E+05	3.46E+05	2.64E+05	5.68E+05	1.1E+06	4.01E+05	3.14E+05	1.02E+06	8.94E+05
DIETHANOLAMINE	2E+06	1.79E+06	2.02E+06	4.51E+06	2.32E+06	7.83E+05	2.85E+06	2.9E+06	3.6E+06	3.94E+06	2.48E+06	1.31E+06	2.04E+06	2.79E+06	2.23E+06	2.13E+06	3.43E+06	2.81E+06	1.95E+06	2.33E+06	1.55E+06	2.6E+06	2.2E+06	3.06E+06
ETHANOLAMINE PHOSPHATE/2-Aminoethyl Dihydrogen Phosphate	3.95E+05	2.12E+05	1.24E+05	1.15E+06	1.55E+05	1.16E+05	9.46E+05	2.32E+06	1.47E+06	8.53E+05	1.83E+06	2.12E+05	1.23E+05	2.01E+06	4.43E+05	6.91E+05	6.53E+05	2.68E+05	2.01E+06	2.1E+06	6.65E+05	5.72E+05	5.42E+05	1.13E+06
GLUCOSAMINE/MANNOSAMINE	8.79E+05	2.28E+06	6.65E+05	1.02E+07	1.65E+06	2.64E+05	5.27E+05	7.15E+05	9.5E+05	3.29E+08	1.17E+06	5.4E+06	2.13E+06	8.48E+05	1.39E+06	1.59E+06	9.87E+05	5.13E+06	1.49E+06	3.08E+06	2.18E+06	1.55E+06	1.16E+07	2.6E+06
GLUCOSE/FRUCTOSE-PHOSPHATE	1.08E+06	1.1E+06	9.58E+04	6.02E+06	2.92E+05	9.37E+04	7.16E+04	1.37E+06	6.95E+05	9.89E+05	1.25E+06	9.63E+05	2.32E+05	1.54E+06	9.28E+04	4.15E+05	3.79E+05	2.18E+05	1.28E+06	5.46E+06	2.15E+06	5.71E+05	2.15E+06	2.39E+06
GLYCEROL	4.85E+06	1.15E+07	2.87E+06	1.59E+07	5.62E+06	3.77E+06	5.27E+06	5.72E+06	6.42E+06	5.73E+06	2.97E+06	5.13E+06	8.65E+06	8.13E+06	5.45E+06	6.3E+06	3.58E+06	4.23E+06	1.71E+06	1.34E+07	4.33E+06	3.32E+06	5.23E+06	3.12E+06
GLYCINE	9.25E+05	1.24E+06	2.52E+05	1.38E+06	2.32E+05	3.29E+05	2.52E+06	1.88E+06	7.94E+05	3.11E+05	1.62E+06	4.85E+05	4.11E+06	8.68E+05	3.93E+05	2.55E+05	6.04E+05	3.76E+05	1.69E+06	3.33E+06	8.8E+05	3.24E+05	9.37E+05	3.81E+05
GUANINE	5.79E+06	9.79E+06	1.24E+06	2.48E+07	3.73E+06	1.4E+06	1.23E+06	3.51E+06	3.85E+06	3.41E+06	1.13E+07	4.66E+07	2.64E+06	4.09E+06	1.83E+06	3.3E+06	2.96E+06	4.76E+06	1.81E+07	3.61E+07	1.59E+07	7.74E+06	3.27E+07	2.4E+07
GUANOSINE 5'-MONOPHOSPHATE	4.66E+06	3.19E+06	3.29E+06	9.54E+06	3.78E+06	9.12E+05	1.49E+06	5.87E+06	7.06E+06	2.24E+07	1.59E+07	1.01E+07	3.56E+06	5.32E+06	7.89E+06	1.23E+07	2.96E+06	5.89E+06	3.59E+07	1.93E+07	1.16E+07	4.06E+06	7.23E+06	8.91E+06
HEXOSE-6-PHOSPHATE	6.71E+05	9.17E+05	6.87E+04	4.45E+06	9.84E+04	1.55E+05	3.08E+05	1.09E+06	6.05E+05	5.14E+06	1.21E+06	5.72E+05	2.84E+05	1.18E+06	6.8E+04	1.72E+05	5.75E+05	3.67E+05	7.93E+05	3E+06	1.22E+06	4.78E+05	2.06E+06	1.72E+06
HEXOSE-DISACCHARIDE	6.18E+05	5.49E+06	3.1E+05	6.58E+06	5.21E+05	1.72E+05	5.41E+05	5.57E+05	3.63E+05	7.99E+07	4.36E+05	3.73E+05	3.13E+06	5.21E+05	6.61E+05	3.76E+05	3.69E+05	3.25E+05	4.03E+05	4.95E+05	2.77E+05	3.6E+05	4.33E+05	4.11E+05
HISTAMINE	4.42E+04	4.83E+04	1.51E+05	1.8E+06	1.2E+05	3.83E+03	2.42E+06	7.61E+05	3.95E+05	1.75E+05	1.12E+07	5.03E+05	2.84E+05	6.78E+05	1.24E+05	1.34E+05	5.82E+04	7.94E+04	8.88E+06	1.42E+06	2.85E+05	1.34E+05	1.15E+05	2.62E+05
HYPOXANTHINE	1.34E+07	1.8E+07	2.28E+06	5.27E+07	7.87E+06	1.97E+06	1.92E+06	5.89E+06	6.58E+06	1.87E+07	3.47E+07	6.72E+07	3.96E+06	7.44E+06	7.35E+06	2E+07	5.01E+06	6E+06	6.26E+07	1.14E+08	4.41E+07	1.58E+07	8.55E+07	5.78E+07
L-ALLOTHREONINE	8.99E+05	9.61E+05	4.36E+05	1.12E+06	5.25E+05	2.31E+05	7.94E+05	1.07E+06	8.59E+05	3.21E+05	1.99E+06	1.21E+06	1.54E+06	8.7E+05	5.95E+05	7.3E+05	3.19E+05	3.4E+05	3.04E+06	1.82E+06	1.33E+06	3.45E+05	5.21E+05	5.4E+05
L-ARGININE	5.57E+07	2.63E+07	2.76E+07	1.13E+08	3.16E+07	7.52E+06	3.27E+07	7.25E+07	6.14E+07	4.38E+07	1.28E+08	5.38E+07	1.08E+07	8.1E+07	1.71E+07	4.07E+07	1.52E+07	1.94E+07	1.43E+08	1.19E+08	7.71E+07	2.79E+07	4.17E+07	4.23E+07
L-ASPARAGINE	4.76E+06	2.44E+06	9.85E+05	8.45E+06	1.03E+06	7.14E+05	3.19E+06	5.47E+06	3.82E+06	2.45E+06	9.1E+06	3.96E+06	3.72E+06	5.07E+06	9.94E+05	1.42E+06	1.3E+06	1.84E+06	1.09E+07	1.21E+07	6.43E+06	1.12E+06	8.23E+06	2.3E+06
L-CARNITINE	2.08E+06	3.37E+06	1.1E+06	4.38E+06	2.09E+06	6.08E+05	6.02E+05	7.46E+06	6.85E+06	1.27E+07	4.22E+06	1.9E+07	2.95E+06	7.75E+06	5.27E+06	6.43E+06	2.88E+06	4.05E+06	5.69E+06	1.31E+07	4.49E+06	4.63E+06	1.43E+07	1.19E+07
L-CYSTEINE	2.48E+05	2.88E+05	7.23E+04	1.48E+06	1.44E+06	4.75E+04	2.98E+04	1.78E+05	7.08E+04	7.77E+04	5.44E+05	1.27E+06	3.02E+04	2.06E+05	7.46E+04	1.18E+06	9.18E+04	1.5E+06	7.98E+05	9.29E+05	3.02E+05	5.68E+05	3.31E+06	1.19E+06
LEUCINE	2.02E+08	1.36E+08	8.57E+07	4.54E+08	8.01E+07	1.77E+07	1.03E+08	1.63E+08	1.48E+08	1.96E+08	5.16E+08	2.77E+08	1.63E+08	1.65E+08	7.96E+07	1.32E+08	4.29E+07	6.79E+07	7.9E+08	5.73E+08	3.55E+08	6.98E+07	1.45E+08	1.24E+08
L-GLUTAMINE	1.6E+07	2.22E+07	1.22E+07	3.31E+07	8.87E+06	7.98E+06	9.14E+06	2.07E+07	3.1E+07	1.85E+07	4.22E+07	2.78E+07	1.06E+07	2.69E+07	7.93E+06	1.04E+07	7.29E+06	1.58E+07	5.42E+07	3.5E+07	2.92E+07	5.87E+06	2.71E+07	6.45E+06
L-HISTIDINE	1.65E+05	1.31E+05	5.05E+04	4.44E+05	1.11E+05	8.59E+04	1.26E+05	1.18E+05	1.55E+05	3.38E+04	4.27E+05	7.64E+05	3.75E+05	1.85E+05	1.11E+05	1.69E+05	3.55E+04	2.44E+05	5.48E+05	5.06E+05	9.23E+04	5.18E+04	5.04E+05	2.09E+04
L-Isoleucine	5.8E+07	3.62E+07	2.45E+07	1.23E+08	2.48E+07	5.38E+06	3.01E+07	4.84E+07	4.02E+07	4.87E+07	1.21E+08	8.14E+07	6.07E+07	4.51E+07	1.98E+07	3.04E+07	1.27E+07	1.42E+07	1.84E+08	1.67E+08	1.03E+08	1.94E+07	3.85E+07	3.53E+07
LL-2,6-DIAMINOHEPTANEDIOATE	9.83E+05	9.27E+05	5.28E+05	3.24E+06	1.19E+06	3.3E+05	3.5E+05	4.77E+05	5.1E+05	1.7E+06	1.93E+06	7.2E+06	5.86E+05	4.51E+05	1.04E+06	8.41E+05	4.78E+05	5.21E+06	2.25E+06	2.62E+06	1.78E+06	3.11E+05	1.23E+07	5.16E+05
L-Leucine-D10	5.71E+07	5.76E+07	5.6E+07	6.2E+07	4.26E+07	1.57E+07	6.18E+07	5.32E+07	6.09E+07	6.12E+07	6.2E+07	7.99E+07	5.66E+07	6.18E+07	5.56E+07	5.4E+07	6.08E+07	4.94E+07	1.13E+08	6.51E+07	5.62E+07	6.14E+07	3.89E+07	5.79E+07
L-LYSINE	4.17E+05	4.29E+05	2.04E+05	1.25E+06	6E+05	1.4E+05	2.34E+05	3.04E+05	8.31E+05	8.74E+05	2.09E+06	3.42E+06	3.14E+05	3.42E+05	3.66E+05	3.46E+05	2E+05	1.38E+06	2.87E+06	2.5E+06	1.74E+06	3.48E+05	3.19E+06	7.48E+05
L-METHIONINE	2.62E+07	1.52E+07	9.73E+06	5.56E+07	1.37E+07	2.56E+06	8.46E+06	2.27E+07	2.15E+07	2.49E+07	7.63E+07	4.87E+07	7.44E+06	2.54E+07	8.78E+06	1.82E+07	4.33E+06	9.82E+06	1.23E+08	7.04E+07	4.75E+07	8.89E+06	2.4E+07	1.61E+07
L-PROLINE	2.24E+07	2.88E+07	4.39E+06	8.74E+07	1.35E+07	5.01E+06	2.78E+07	2.72E+07	1.68E+07	3.52E+07	5.1E+07	3.07E+07	5.18E+07	2.11E+07	1.54E+07	1.95E+07	1.09E+07	6.2E+06	8.11E+07	1.4E+08	4.19E+07	8.8E+06	2.95E+07	2.13E+07
L-SERINE	8.32E+06	1.08E+07	1.63E+06	1.25E+07	2.46E+06	2.01E+06	2.4E+07	1.93E+07	8.65E+06	3.31E+06	1.62E+07	2.94E+06	3.83E+07	9.99E+06	2.09E+06	2.22E+06	5.66E+06	2.53E+06	1.35E+07	2.72E+07	9.3E+06	2.49E+06	5.71E+06	2.81E+06
L-TYROSINE	3.47E+07	2.96E+07	1.41E+07	7.56E+07	1.82E+07	4.19E+06	1.57E+07	3.11E+07	2.49E+07	3.3E+07	8.03E+07	6.32E+07	3.48E+07	2.56E+07	1.3E+07	2.24E+07	6.25E+06	1.24E+07	1.29E+08	1.12E+08	7.05E+07	1.13E+07	3.13E+07	2.03E+07
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	6.4E+07	4.6E+07	9.07E+07	1.39E+08	9.45E+07	9.69E+06	3.64E+07	5.51E+07	4.85E+07	5.99E+07	1.36E+08	1.25E+08	6.56E+07	5.32E+07	9.11E+07	4.69E+07	1.79E+07	2.78E+07	1.93E+08	1.74E+08	1.03E+08	3.34E+07	4.85E+07	4.94E+07
LysoPC (16:0)	1.5E+07	1.3E+07	1.91E+07	2.59E+07	1.28E+08	8.23E+06	3.47E+06	5.35E+05	8.88E+06	5.77E+06	5.84E+04	8.91E+05	8.12E+06	7.17E+06	5.64E+06	3.07E+07	4.69E+06	1.8E+05	8.05E+05	2.47E+07	1.2E+07	3.38E+07	1.57E+07	3.97E+07
LysoPC (16:1)	1.18E+07	5.77E+06	6.82E+06	4.41E+07	5.48E+07	1.96E+06	1.93E+06	2.23E+04	2.62E+06	3.11E+06	6.46E+05	2.05E+06	1.49E+06	3.59E+06	1.83E+06	2.24E+07	3.97E+06	8.56E+05	1.97E+06	3.28E+07	5.38E+06	1.97E+07	7.43E+06	2.48E+07
LysoPC (18:0)	5.68E+06	3.94E+06	1.04E+07	2.38E+06	1.9E+07	2.2E+06	2.25E+06	6.51E+05	6.59E+06	5.48E+06	3.4E+03	7.47E+04	2.48E+06	7.64E+06	5.11E+06	2.38E+07	1.89E+06	1.52E+04	4.31E+05	2.25E+06	3.88E+06	1.21E+07	2.39E+06	1.86E+07
LysoPE (18:1)	4.73E+07	8.46E+07	3.14E+07	6.88E+07	1.2E+08	2.59E+07	5.07E+06	4.72E+06	1.19E+07	2.65E+07	5.54E+06	6.33E+06	3.51E+07	1.65E+07	3.32E+07	1.21E+08	1.01E+07	8.24E+06	1.03E+06	5.59E+07	1.96E+07	4.18E+07	2E+07	5.4E+07
METHYL BETA-D-GALACTOSIDE	3.66E+06	3.46E+06	2.28E+06	7.06E+07	2.62E+07	1.18E+06	1.56E+06	2.67E+06	2.16E+06	2.09E+06	1.36E+07	6.14E+07	2.09E+06	2.14E+06	2.94E+06	2.31E+06	1.29E+07	4.25E+07	1.55E+07	7.78E+07	6.34E+06	1.53E+07	5.37E+07	2.95E+07
N(PAI)-METHYL-L-HISTIDINE	5.48E+05	1.84E+05	2.7E+05	1.01E+06	3.73E+05	4.25E+04	1.02E+05	3.47E+05	4.05E+05	1.08E+06	5.12E+05	2.07E+06	9.67E+04	2.59E+05	4.39E+05	5.04E+05	3.28E+05	9.07E+05	1.61E+06	1.51E+06	1.19E+06	3.98E+05	1.86E+06	7.49E+05
N-ACETYL-HEXOSAMINE	7.09E+05	1.27E+06	3.67E+05	6.67E+06	2.48E+06	3.79E+05	1.4E+05	7.59E+05	5.73E+05	5.44E+05	7.43E+05	2.25E+06	4.86E+05	9.25E+05	5.03E+05	7.85E+05	5.91E+05	1.1E+06	9.98E+05	5.96E+06	1.88E+06	8.15E+05	2.12E+06	1.27E+06
N-ACETYL-L-ASPARTIC ACID	2.67E+05	2.76E+05	9.63E+04	1.84E+06	7.73E+05	6.32E+04	3.01E+05	1.79E+06	1.92E+06	9E+05	2.02E+06	1.42E+06	1.93E+05	1.72E+06	3.62E+05	4.25E+05	9.44E+05	2.81E+05	4.22E+06	4.99E+06	7.37E+05	1.12E+06	1.13E+06	2.39E+06
N-ACETYL-L-LEUCINE	2.87E+05	2.6E+05	3.46E+05	3.11E+05	2.66E+06	1.43E+05	1.59E+05	2.69E+05	5.52E+05	3.73E+05	2.89E+05	3.06E+05	8.31E+05	3.71E+05	5.38E+05	5.2E+05	5.15E+05	6.27E+05	6.18E+05	3.31E+05	4.95E+05	7.16E+05	4.15E+05	5.58E+05
N-ACETYLNEURAMINATE	2.79E+06	1.4E+07	2.11E+06	3.88E+06	2.35E+06	4.81E+06	1.85E+06	1.16E+07	1.08E+07	8.84E+06	1.04E+07	1.15E+07	6.68E+06	1.04E+07	5.93E+06	5.82E+06	5.02E+06	4.21E+06	8.5E+06	4.71E+06	4.13E+06	8.73E+06	7.48E+06	1.25E+07
NICOTINAMIDE	5E+06	2.52E+06	1.73E+06	5.72E+06	2.34E+06	6.83E+05	9.41E+05	3.46E+06	3.37E+06	7.41E+06	9.84E+06	1.46E+07	1.59E+06	3.24E+06	4.43E+06	4.5E+06	1.94E+06	6.57E+06	1.5E+07	1.39E+07	1.41E+07	3.98E+06	1.27E+07	6.95E+06
N-METHYL-D-ASPARTIC ACID	4.24E+07	2.44E+07	1.39E+07	8.92E+07	1.47E+07	5.73E+06	1.27E+07	2.83E+07	2.32E+07	4.71E+07	7.29E+07	7.59E+07	1.94E+07	2.96E+07	1.59E+07	1.98E+07	1.42E+07	2.05E+07	1.31E+08	1.54E+08	7.64E+07	1.95E+07	7.03E+07	4.18E+07
PHENETHYLAMINE	1.45E+07	1.11E+07	8.1E+07	7.81E+06	1.62E+07	7.3E+06	2.3E+06	6.35E+06	2.49E+07	3.94E+07	1.39E+07	8.52E+07	3.07E+07	1.84E+07	4.7E+07	6.12E+07	3.2E+07	2.42E+07	3.4E+07	1.07E+07	3.81E+07	1.51E+07	1.91E+07	1.51E+07
Phenylalanine	6.46E+07	5.15E+07	2.71E+07	1.41E+08	3.55E+07	8.93E+06	3.12E+07	4.98E+07	4.11E+07	7.52E+07	1.5E+08	1.33E+08	5.95E+07	4.54E+07	2.99E+07	4.95E+07	1.18E+07	2.69E+07	2.38E+08	1.94E+08	1.26E+08	2.07E+07	9.29E+07	3.68E+07
Phenylalanine-HCOOH	1.42E+07	1.12E+07	5.79E+06	3.18E+07	7.91E+06	1.99E+06	6.76E+06	1.13E+07	8.86E+06	1.7E+07	3.41E+07	3.03E+07	1.37E+07	1.03E+07	6.71E+06	1.1E+07	2.56E+06	6.11E+06	5.28E+07	4.36E+07	2.78E+07	4.53E+06	2.08E+07	8.03E+06
PHOSPHOCHOLINE	2.6E+07	1.68E+07	1.3E+07	4.2E+07	1.94E+07	4.76E+06	8.27E+06	3.9E+07	6.08E+07	1.82E+08	8.4E+07	5.97E+07	7.42E+06	3.93E+07	4.1E+07	5.32E+07	5.04E+07	1.21E+07	1.66E+08	8.41E+07	8.85E+07	5.08E+07	7.88E+07	1.04E+08
PIPECOLATE/L-PIPECOLIC ACID	9.92E+04	3.7E+05	1.86E+05	3.61E+05	1.74E+05	1.69E+05	1.8E+05	1.06E+05	1.09E+05	5.96E+05	3.17E+05	1.24E+06	4.38E+05	7.53E+04	1.05E+05	2.39E+05	1.52E+05	7.09E+04	4.52E+05	9.3E+04	6.13E+04	8.06E+04	2.7E+05	7.7E+04
PYRIDOXAL	1.56E+06	3.73E+06	1.75E+06	5.41E+06	2.02E+06	8.88E+05	2.12E+05	6.42E+05	5.8E+05	6.76E+06	2.45E+06	1.77E+06	2.3E+06	8.51E+05	3.66E+06	4.88E+06	4.94E+05	1.12E+06	2.33E+06	3.93E+06	3.02E+06	7.49E+05	1.65E+06	8.85E+05
TAURINE	1.99E+06	1.39E+06	4.78E+05	1.83E+06	5.04E+05	4.94E+05	3.76E+05	2.54E+06	2.15E+06	1.82E+06	3.9E+05	6.32E+05	1.31E+06	1.92E+06	7.87E+05	8.4E+05	2.25E+06	3.13E+05	1.96E+06	4.55E+06	3.15E+06	1.76E+06	8.85E+05	4.15E+06
THREONINE/HOMOSERINE	1.59E+07	1.65E+07	4.97E+06	3.2E+07	6.89E+06	4.78E+06	1.7E+07	2.16E+07	1.44E+07	1.83E+07	3.64E+07	1.65E+07	2.78E+07	1.69E+07	6.19E+06	8.2E+06	5.79E+06	6.51E+06	4.52E+07	5.52E+07	2.52E+07	5.07E+06	1.48E+07	8.15E+06
TRANS-CINNAMATE	6.83E+05	7.91E+05	1.07E+06	8.74E+05	8.9E+05	5.16E+05	8.69E+05	6.77E+05	6.02E+05	7.97E+05	8.64E+05	8.67E+05	8.67E+05	7.67E+05	9.1E+05	1.14E+06	8.47E+05	9E+05	8.33E+05	8E+05	8.38E+05	1.23E+06	8.02E+05	1.04E+06
Tryptophan	8.88E+06	7.69E+06	3.56E+06	2.21E+07	4.81E+06	1.36E+06	3.56E+06	8.06E+06	6.15E+06	9.39E+06	1.53E+07	1.76E+07	9.95E+06	6.23E+06	3.65E+06	5.6E+06	2.14E+06	3.52E+06	2.56E+07	3.49E+07	1.77E+07	3.88E+06	8.36E+06	6.84E+06
Tryptophan-2,3,3-D3	1.86E+08	1.89E+08	1.84E+08	1.93E+08	1.48E+08	5.92E+07	1.97E+08	1.81E+08	1.98E+08	2.12E+08	1.84E+08	2.7E+08	2.01E+08	1.93E+08	1.93E+08	1.76E+08	2.1E+08	1.62E+08	3.51E+08	2.05E+08	1.81E+08	2.07E+08	1.24E+08	1.96E+08
Tryptophan-2,3,3-D3-NH3	7.11E+07	7.23E+07	6.97E+07	7.33E+07	5.66E+07	2.24E+07	7.35E+07	6.93E+07	7.48E+07	8.11E+07	7.07E+07	1.04E+08	7.68E+07	7.37E+07	7.25E+07	6.71E+07	7.88E+07	6E+07	1.32E+08	7.79E+07	6.77E+07	7.88E+07	4.65E+07	7.44E+07
Tryptophan-NH3	3.74E+06	3.21E+06	1.49E+06	9.43E+06	2.01E+06	5.6E+05	1.47E+06	3.43E+06	2.56E+06	4.03E+06	6.56E+06	7.6E+06	4.23E+06	2.66E+06	1.5E+06	2.37E+06	8.26E+05	1.44E+06	1.07E+07	1.5E+07	7.45E+06	1.6E+06	3.55E+06	2.82E+06
URACIL	7.82E+04	2.86E+05	3.49E+05	9.46E+05	4.31E+05	6.14E+04	9.84E+04	1.91E+05	2.94E+05	4.68E+05	2.95E+05	3.36E+05	8.89E+05	2.66E+05	3.28E+05	1.91E+05	2.17E+05	2.49E+05	9.4E+05	1.91E+06	4.88E+05	3.88E+05	4.46E+05	7.45E+04
URIDINE	1.71E+06	1.77E+06	4.82E+05	6.85E+06	1.34E+06	5.78E+05	1.65E+06	9.37E+05	1.17E+06	2.86E+06	4.72E+06	7.95E+06	7.31E+05	1.13E+06	8.9E+05	1.71E+06	4.18E+05	2.34E+06	1.25E+07	1.25E+07	4.56E+06	1.37E+06	6.13E+06	4.17E+06
URIDINE-5-MONOPHOSPHATE	1.48E+06	8.15E+05	7.32E+05	4.01E+06	1.52E+06	2.45E+05	5.73E+05	1.58E+06	1.48E+06	5.25E+06	4.09E+06	4.08E+06	8.29E+05	1.46E+06	1.73E+06	2.69E+06	1.46E+06	1.7E+06	9.27E+06	6.56E+06	3.56E+06	1.86E+06	3.21E+06	3.52E+06
UROCANATE	2.38E+06	1.68E+07	1.66E+06	2.44E+06	3.51E+06	9.03E+05	1.62E+07	1.94E+07	6.76E+06	4.8E+06	4.76E+06	2.62E+06	5.49E+07	1.98E+06	6.06E+06	2.23E+06	5.53E+06	1.45E+06	2.32E+06	2.76E+07	1.04E+07	4.27E+06	6.1E+06	2.57E+06
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention Index	PubChem CID	mass spectrum
(R)-MALATE	1.08	92824	157.0110
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	0.75	535	102.0552
3'-CMP	1.59	6131	324.0588
3-METHYLHISTAMINE	0.71	69520	126.1025
4-GUANIDINOBUTANOATE	1.64	500	146.0925
4-HYDROXY-L-PHENYLGLYCINE	0.82	36143	168.0657
4-HYDROXYPROLINE	0.74	5810	132.0656
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5'-MONOPHOSPHATE	1.48	65110	339.0708
5-OXO-L-PROLINE	1.85	7405	130.0500
ADENINE	1.67	190	136.0618
ADENOSINE	5.69	60961	290.0854
ADENOSINE 5'-MONOPHOSPHATE	1.69	6083	348.0702
ALANINE/SARCOSINE	0.73	NOT Found in Database	90.0552
ALDO/KETO-HEXOSE	0.72	NOT Found in Database	203.0531
ALDOPENTOSE	0.78	NOT Found in Database	173.0420
ASPARTATE	0.72	5960	134.0447
BETAINE	0.79	247	118.0866
Caffeine-D3	7.88	13001298	198.1063
CITRATE	1.95	311	215.0165
CITRULLINE	0.78	9750	176.1034
CMP	1.07	6131	324.0589
CREATININE	0.94	588	114.0666
CYTIDINE	1.66	6175	244.0926
CYTOSINE	1.08	597	112.0508
D-(+)-RAFFINOSE	0.89	439242	527.1590
DEOXYCARNITINE	1.33	725	146.1176
DIETHANOLAMINE	0.72	8113	106.0864
ETHANOLAMINE PHOSPHATE/2-Aminoethyl Dihydrogen Phosphate	0.71	1015	142.0265
GLUCOSAMINE/MANNOSAMINE	0.74	NOT Found in Database	180.0865
GLUCOSE/FRUCTOSE-PHOSPHATE	0.70	NOT Found in Database	283.0190
GLYCEROL	0.79	753	115.0368
GLYCINE	0.71	750	76.0395
GUANINE	1.54	764	152.0566
GUANOSINE 5'-MONOPHOSPHATE	1.97	6804	364.0644
HEXOSE-6-PHOSPHATE	0.72	NOT Found in Database	261.0377
HEXOSE-DISACCHARIDE	0.89	NOT Found in Database	365.1048
HISTAMINE	0.74	774	112.0873
HYPOXANTHINE	2.07	790	137.0463
L-ALLOTHREONINE	0.73	99289	142.0478
L-ARGININE	0.70	6322	175.1191
L-ASPARAGINE	0.71	6267	133.0609
L-CARNITINE	0.96	10917	162.1128
L-CYSTEINE	0.76	5862	122.0271
LEUCINE	2.52	857	132.1024
L-GLUTAMINE	0.73	5961	147.0763
L-HISTIDINE	0.88	6274	156.0767
L-Isoleucine	2.22	6306	132.1024
LL-2,6-DIAMINOHEPTANEDIOATE	0.86	439283	191.1028
L-Leucine-D10	2.48	16213587	142.1647
L-LYSINE	0.80	5962	147.1127
L-METHIONINE	1.43	6137	150.0589
L-PROLINE	0.86	145742	116.0710
L-SERINE	0.71	5951	106.0502
L-TYROSINE	3.41	6057	182.0814
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	1.13	NOT Found in Database	118.0866
LysoPC (16:0)	13.65	460602	496.3386
LysoPC (16:1)	12.78	NOT Found in Database	494.3247
LysoPC (18:0)	14.80	NOT Found in Database	524.3692
LysoPE (18:1)	13.48	9547071	480.3070
METHYL BETA-D-GALACTOSIDE	1.06	94214	217.0679
N(PAI)-METHYL-L-HISTIDINE	0.73	64969	170.0926
N-ACETYL-HEXOSAMINE	0.82	NOT Found in Database	244.0794
N-ACETYL-L-ASPARTIC ACID	1.49	65065	176.0558
N-ACETYL-L-LEUCINE	7.59	70912	174.1123
N-ACETYLNEURAMINATE	0.81	439197	310.1136
NICOTINAMIDE	1.64	936	123.0557
N-METHYL-D-ASPARTIC ACID	0.76	22880	148.0608
PHENETHYLAMINE	6.83	1001	122.0967
Phenylalanine	6.22	6140	166.0864
Phenylalanine-HCOOH	6.22	NOT Found in Database	120.0809
PHOSPHOCHOLINE	0.72	1014	184.0736
PIPECOLATE/L-PIPECOLIC ACID	1.34	439227	130.0866
PYRIDOXAL	1.92	1050	168.0659
TAURINE	0.71	1123	126.0222
THREONINE/HOMOSERINE	0.73	NOT Found in Database	120.0659
TRANS-CINNAMATE	9.77	444539	149.0596
Tryptophan	7.64	6305	205.0979
Tryptophan-2,3,3-D3	7.64	NOT Found in Database	208.1160
Tryptophan-2,3,3-D3-NH3	7.64	NOT Found in Database	191.0898
Tryptophan-NH3	7.64	NOT Found in Database	188.0709
URACIL	1.39	1174	113.0349
URIDINE	2.88	6029	267.0585
URIDINE-5-MONOPHOSPHATE	1.25	6030	325.0423
UROCANATE	2.02	736715	139.0503
METABOLITES_END
#END