#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