#METABOLOMICS WORKBENCH HaileyHeil_20181019_085428 DATATRACK_ID:1549 STUDY_ID:ST001110 ANALYSIS_ID:AN001804 PROJECT_ID:PR000741 VERSION 1 CREATED_ON December 10, 2018, 11:36 am #PROJECT PR:PROJECT_TITLE Untargeted GC-MS Analysis in Drosophila melanogaster PR:PROJECT_SUMMARY Untargeted GC-MS Analysis in Drosophila melanogaster. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 #STUDY ST:STUDY_TITLE Investigating link between metabolism and circadian rhythm in Drosophila ST:STUDY_TITLE melanogaster ST:STUDY_SUMMARY We are investigating the link between metabolism, circadian rhythm, and a ST:STUDY_SUMMARY high-fat diet with an emphasis on the role of metabolites that affect protein ST:STUDY_SUMMARY post translational modifications. We've hypothesized that protein modifications, ST:STUDY_SUMMARY which are critical to circadian clock functions, can be affected by different ST:STUDY_SUMMARY metabolic profiles, such as an excess or lack of fat in the diet, that ST:STUDY_SUMMARY ultimately regulate changes in circadian biology. ST:INSTITUTE University of California, Davis ST:DEPARTMENT College of Biological Sciences ST:LAST_NAME Contreras ST:FIRST_NAME Adam ST:ADDRESS 202 Life Sciences Building, Kleiber Hall Drive, Davis, CA, 95616 ST:EMAIL ajcon@ucdavis.edu ST:PHONE 512-393-4773 ST:TOTAL_SUBJECTS 96 #SUBJECT SU:SUBJECT_TYPE Insect SU:SUBJECT_SPECIES Drosophila melanogaster SU:TAXONOMY_ID 7227 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep1_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=14 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep2_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=17 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep3_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep4_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=22 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep5_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=24 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep6_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep1_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=14 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep2_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep3_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=17 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep4_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep5_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep6_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=20 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep1_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=15 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep2_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep3_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=14 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep4_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep5_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=22 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep6_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep1_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=8 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep2_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep3_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep4_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=20 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep5_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep6_NFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep1_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=87 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep2_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=117 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep3_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=124 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep4_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=142 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep5_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=139 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep6_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=134 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep1_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=84 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep2_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=115 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep3_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=112 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep4_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=135 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep5_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=136 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep6_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=134 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep1_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=88 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep2_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=124 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep3_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=93 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep4_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=115 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep5_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=141 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep6_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=123 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep1_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=75 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep2_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=113 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep3_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=114 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep4_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=127 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep5_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=132 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep6_NFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Species=Drosophila melanogaster; Tissue Weight=129 SUBJECT_SAMPLE_FACTORS - Standard Food Organ:N/A | Treatment:Cornmeal Drosphila Diet Species=N/A; Tissue Weight=N/A SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep1_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=15 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep2_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep3_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=15 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep4_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=20 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep5_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt4 - Rep6_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep1_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=16 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep2_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=17 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep3_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=17 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep4_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=20 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep5_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=15 SUBJECT_SAMPLE_FACTORS - Heads Zt10 - Rep6_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=20 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep1_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=16 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep2_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep3_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=17 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep4_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=21 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep5_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=14 SUBJECT_SAMPLE_FACTORS - Heads Zt16 - Rep6_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=18 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep1_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=14 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep2_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=23 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep3_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=16 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep4_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep5_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=16 SUBJECT_SAMPLE_FACTORS - Heads Zt22 - Rep6_HFD Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=19 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep1_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=100 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep2_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=136 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep3_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=96 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep4_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=132 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep5_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=107 SUBJECT_SAMPLE_FACTORS - Bodies Zt4 - Rep6_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=131 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep1_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=106 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep2_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=116 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep3_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=108 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep4_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=121 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep5_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=86 SUBJECT_SAMPLE_FACTORS - Bodies Zt10 - Rep6_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=132 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep1_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=103 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep2_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=134 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep3_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=105 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep4_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=127 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep5_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=95 SUBJECT_SAMPLE_FACTORS - Bodies Zt16 - Rep6_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=121 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep1_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=95 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep2_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=132 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep3_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=107 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep4_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=126 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep5_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=103 SUBJECT_SAMPLE_FACTORS - Bodies Zt22 - Rep6_HFD Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=Drosophila melanogaster; Tissue Weight=130 SUBJECT_SAMPLE_FACTORS - High Fat Food Organ:N/A | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Species=N/A; Tissue Weight=N/A #COLLECTION CO:COLLECTION_SUMMARY After each subject completed the treatment for the required time, the head of CO:COLLECTION_SUMMARY the fly was removed from the body over dry ice. Each portion of tissue was CO:COLLECTION_SUMMARY placed in a 1.5 mL tube and stored at -80°C until shipped to the WCMC for CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Tissue CO:VOLUMEORAMOUNT_COLLECTED Variable, depending on the size of the fly. CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS 1.5 mL CO:STORAGE_VIALS 1.5 mL CO:COLLECTION_TUBE_TEMP Dry Ice, -78.5°C #TREATMENT TR:TREATMENT_SUMMARY 48 flies were split into two treatment groups, with 24 flies in each group. TR:TREATMENT_SUMMARY Group 1 consisted of a High Fat Diet (HFD, Cornmeal diet + 15% coconut oil) and TR:TREATMENT_SUMMARY Group 2 consisted of a Non-Fat Diet (NFD, Cornmeal). Within each group, flies TR:TREATMENT_SUMMARY were placed in one of four smaller groups, depending on how long they would be TR:TREATMENT_SUMMARY on either the HFD or NFD. These groups are ZT4, ZT10, ZT16, ZT22. Each of these TR:TREATMENT_SUMMARY smaller groups consisted of 6 flies, to create 4 groups of 6 flies each in both TR:TREATMENT_SUMMARY of the diet treatments. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Add 1 mL of 3:3:2 Acetonitrile:Isopropyl Alcohol:LC-MS Grade Water to each SP:SAMPLEPREP_SUMMARY preweighed sample. Vortex each sample for 5 seconds. Shake at 4°C for 5 minutes SP:SAMPLEPREP_SUMMARY using the Orbital Mixing Chilling/Heating Plate. Keep remaining samples on ice SP:SAMPLEPREP_SUMMARY before shaking. Centrifuge samples for 2 minutes at 14000 rcf. Aliquot two 450 SP:SAMPLEPREP_SUMMARY µL portions of the supernatant. Submit one to analysis and save one as backup SP:SAMPLEPREP_SUMMARY at -20°C. To the submitted sample, dry in Labconco Centrivap. Submit to SP:SAMPLEPREP_SUMMARY derivatization. SP:SAMPLEPREP_PROTOCOL_FILENAME SOP_blood-GCTOF-11082012_332.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Extraction solvent is prepared previously. Begin procedure at Sample Preparation SP:SAMPLEPREP_PROTOCOL_COMMENTS under step 3. SP:SAMPLE_DERIVATIZATION Add 10 µL of prepared MeOX solution to each sample. Shake for 1.5 hours at SP:SAMPLE_DERIVATIZATION 30°C. Add 91 µL of prepared MSTFA + FAME solution to each sample. Shake for 30 SP:SAMPLE_DERIVATIZATION minutes at 37°C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Leco Pegasus HT TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:ION_SOURCE_TEMPERATURE 250°C MS:IONIZATION_ENERGY -70 eV MS:DATAFORMAT .CDF MS:RESOLUTION_SETTING 17 spectra s-1 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Height MS_METABOLITE_DATA_START Samples Heads Zt4 - Rep1_NFD Heads Zt4 - Rep2_NFD Heads Zt4 - Rep3_NFD Heads Zt4 - Rep4_NFD Heads Zt4 - Rep5_NFD Heads Zt4 - Rep6_NFD Heads Zt10 - Rep1_NFD Heads Zt10 - Rep2_NFD Heads Zt10 - Rep3_NFD Heads Zt10 - Rep4_NFD Heads Zt10 - Rep5_NFD Heads Zt10 - Rep6_NFD Heads Zt16 - Rep1_NFD Heads Zt16 - Rep2_NFD Heads Zt16 - Rep3_NFD Heads Zt16 - Rep4_NFD Heads Zt16 - Rep5_NFD Heads Zt16 - Rep6_NFD Heads Zt22 - Rep1_NFD Heads Zt22 - Rep2_NFD Heads Zt22 - Rep3_NFD Heads Zt22 - Rep4_NFD Heads Zt22 - Rep5_NFD Heads Zt22 - Rep6_NFD Bodies Zt4 - Rep1_NFD Bodies Zt4 - Rep2_NFD Bodies Zt4 - Rep3_NFD Bodies Zt4 - Rep4_NFD Bodies Zt4 - Rep5_NFD Bodies Zt4 - Rep6_NFD Bodies Zt10 - Rep1_NFD Bodies Zt10 - Rep2_NFD Bodies Zt10 - Rep3_NFD Bodies Zt10 - Rep4_NFD Bodies Zt10 - Rep5_NFD Bodies Zt10 - Rep6_NFD Bodies Zt16 - Rep1_NFD Bodies Zt16 - Rep2_NFD Bodies Zt16 - Rep3_NFD Bodies Zt16 - Rep4_NFD Bodies Zt16 - Rep5_NFD Bodies Zt16 - Rep6_NFD Bodies Zt22 - Rep1_NFD Bodies Zt22 - Rep2_NFD Bodies Zt22 - Rep3_NFD Bodies Zt22 - Rep4_NFD Bodies Zt22 - Rep5_NFD Bodies Zt22 - Rep6_NFD Standard Food Heads Zt4 - Rep1_HFD Heads Zt4 - Rep2_HFD Heads Zt4 - Rep3_HFD Heads Zt4 - Rep4_HFD Heads Zt4 - Rep5_HFD Heads Zt4 - Rep6_HFD Heads Zt10 - Rep1_HFD Heads Zt10 - Rep2_HFD Heads Zt10 - Rep3_HFD Heads Zt10 - Rep4_HFD Heads Zt10 - Rep5_HFD Heads Zt10 - Rep6_HFD Heads Zt16 - Rep1_HFD Heads Zt16 - Rep2_HFD Heads Zt16 - Rep3_HFD Heads Zt16 - Rep4_HFD Heads Zt16 - Rep5_HFD Heads Zt16 - Rep6_HFD Heads Zt22 - Rep1_HFD Heads Zt22 - Rep2_HFD Heads Zt22 - Rep3_HFD Heads Zt22 - Rep4_HFD Heads Zt22 - Rep5_HFD Heads Zt22 - Rep6_HFD Bodies Zt4 - Rep1_HFD Bodies Zt4 - Rep2_HFD Bodies Zt4 - Rep3_HFD Bodies Zt4 - Rep4_HFD Bodies Zt4 - Rep5_HFD Bodies Zt4 - Rep6_HFD Bodies Zt10 - Rep1_HFD Bodies Zt10 - Rep2_HFD Bodies Zt10 - Rep3_HFD Bodies Zt10 - Rep4_HFD Bodies Zt10 - Rep5_HFD Bodies Zt10 - Rep6_HFD Bodies Zt16 - Rep1_HFD Bodies Zt16 - Rep2_HFD Bodies Zt16 - Rep3_HFD Bodies Zt16 - Rep4_HFD Bodies Zt16 - Rep5_HFD Bodies Zt16 - Rep6_HFD Bodies Zt22 - Rep1_HFD Bodies Zt22 - Rep2_HFD Bodies Zt22 - Rep3_HFD Bodies Zt22 - Rep4_HFD Bodies Zt22 - Rep5_HFD Bodies Zt22 - Rep6_HFD High Fat Food Factors Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet Organ:N/A | Treatment:Cornmeal Drosphila Diet Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Head Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:Body Tissue | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil Organ:N/A | Treatment:Cornmeal Drosphila Diet + 15% coconut Oil xylulose NIST 3724 1651 41130 16765 19410 5821 5975 9450 6343 5428 16750 28230 12341 10862 24663 10069 18420 9713 13517 13658 13392 13763 32280 11500 7479 5009 5054 11730 29330 24570 14530 1 22740 16690 24160 23780 963 21330 1466 8684 3977 3055 7480 4347 3250 4015 3757 3435 1521 22283 16663 15260 6333 12219 11355 19410 16993 589 10224 15129 12054 21376 18987 5960 490 23259 15086 23468 11736 26603 5695 22268 834 8270 6923 9270 5219 1036 14286 7363 5614 8457 399 510 716 6237 6006 9847 881 14360 9894 11152 9486 7351 479 18391 14745 2570 xylose 1185 1300 17320 3416 18170 1669 2141 14340 1396 1675 14280 19940 1556 1613 1960 1743 12760 1604 3576 2004 1574 1888 15600 1559 6604 988 1995 18190 15770 21380 11530 136 15510 5230 17110 16600 2050 18080 220 4257 3586 185 4318 3282 4618 2951 2867 3269 2170 3012 1957 1061 702 1689 8121 2873 5861 158 3164 3288 5007 1853 2773 1546 142 3202 4439 3978 2975 1145 1544 3518 372 6190 6817 4532 4127 619 5599 6248 5059 5837 436 332 655 7662 5912 9256 530 4987 6323 5318 9520 5246 293 8761 7891 4500 xylitol 54666 44165 726680 190958 733770 51406 118147 751530 111870 103134 751580 949850 182831 159046 261390 116504 836940 107474 108538 193907 152300 200736 851060 177800 295932 244371 84053 1167490 956320 1521190 703610 52 1161860 1319860 788560 848810 70175 1204100 18709 309031 167811 34822 316511 234174 273790 234781 164005 175328 673 213155 216585 194546 101509 164191 232958 230808 261984 15317 230812 200002 236251 239639 269655 109295 21341 305732 304853 237801 217764 250505 105344 262175 21196 244450 295227 130777 115959 12340 261965 275910 284957 269685 6646 8630 11779 317133 277752 338722 17429 277007 256874 271413 312346 299917 6035 253298 290697 1650 xanthine 490 7 128580 1068 114520 58 2431 123540 1930 143 107720 136680 945 358 2243 1150 132480 645 4746 453 604 2456 132740 102 7846 35039 14277 211150 63480 258790 133200 39 201100 272620 59600 54510 9735 222750 118 35916 12186 431 57356 23837 56804 39634 14908 12312 1513 5359 950 4994 465 1698 5918 2948 1672 243 1543 5937 4346 3635 1620 1170 248 4673 4311 6461 2642 3814 1194 6259 398 26445 45619 25542 24879 1926 36245 49720 39012 37471 1199 1411 1740 33290 46719 48798 3195 46975 33186 39221 48502 37663 1005 34006 40354 3890 valine 93031 90869 1324920 117692 1139940 73293 195177 1121880 84861 99523 1319020 1476540 115949 131601 126321 118455 1114710 94151 97905 141086 113351 105659 1337050 93074 444148 313606 151761 1652960 1949360 2144730 1318990 664 1732290 1863260 1310860 1360070 142430 1619370 16651 400909 234004 24410 363706 281955 382298 276216 230300 219035 897880 154886 87206 158070 56268 104281 208496 137416 112422 11899 101754 164598 175146 136232 130358 54607 13829 137411 177957 226129 195447 147349 71609 159733 18898 349577 292810 196176 177688 25611 486477 312346 261758 348866 14217 21937 1119 340012 295802 357678 29940 293013 364754 384205 508009 330308 13008 418576 461303 2449290 uridine 670 1090 6970 404 15980 604 3454 42770 721 422 15010 20080 451 551 566 960 16120 650 966 1000 379 259 16680 323 12609 9254 2116 22680 19760 27910 23010 128 30190 31150 32960 45940 3617 39930 120 3195 17363 91 6158 4721 4143 5532 9664 9804 815 332 271 381 215 400 1042 687 585 142 256 905 533 440 827 439 82 536 403 1363 667 486 303 635 102 2146 5781 2307 963 197 5351 6371 4607 3574 99 261 180 2560 6058 6121 249 4258 8895 5160 4542 7392 183 3933 5054 2100 uric acid 10082 3583 166630 27981 140110 5734 10838 199420 11534 12952 57460 152260 12521 6280 26140 11387 147910 10413 21159 9418 12034 51975 131140 7666 119021 58698 17415 421620 387370 283240 260990 47 388910 488830 54050 409230 18288 584700 1407 62341 77051 5056 96512 76803 76965 84495 63261 72820 85 66481 25424 56981 12882 21072 67726 30959 28278 2081 50662 33711 41828 37969 21989 9733 4034 49781 36643 55641 27725 40027 18820 58101 4440 84791 65353 71249 49884 5979 95288 71776 77795 81410 4511 6892 4768 90963 63896 53963 6344 105289 46746 86905 67352 60826 2412 87693 90895 370 urea 2377 1786 61780 4157 31700 5194 4031 10910 8562 5374 45890 16450 5838 1711 10483 5851 33570 13677 10977 6291 3113 11032 35090 8798 4663 115 9003 7090 11240 14390 11260 243 32670 19220 4520 17190 2835 7370 1466 9588 3218 1606 10523 4156 2789 1853 2207 1955 889 7134 5312 21597 2437 9845 20059 12128 5080 3299 12558 16009 8298 7942 6165 3145 692 12056 7669 21117 5503 10262 6352 13496 4260 18502 3117 12779 1698 1484 19738 6420 4785 14377 18 1609 53 8874 5154 1067 48 10472 5410 19919 9998 10063 1405 12636 20033 3340 uracil 33070 34456 148310 40902 96250 37827 37767 148870 40327 41244 125710 146600 44886 43550 52222 36499 130770 42890 22876 59490 43942 31488 141680 39381 53955 36084 2428 209060 176770 223120 139520 333 246140 258230 175610 160680 15493 207710 3879 50859 29717 6139 53291 40522 58764 38860 24230 30887 8825 39916 41109 37241 18448 33804 45595 47035 47048 2476 34996 43838 39469 43719 45355 18882 2923 49356 43883 47309 39710 45231 17919 38694 2983 42707 39164 19310 22029 2868 43528 46734 45840 46206 925 2642 2363 50269 42897 55238 3457 42782 38301 42871 58615 39548 1410 49270 41789 11610 UDP GlcNAc 1547 1005 3500 1240 3730 1760 1028 3640 990 940 3300 4290 1673 1733 936 1319 3810 1852 593 1510 1522 318 3910 1110 2306 1107 401 6650 4330 6460 4840 55 6710 8160 6170 6380 389 5550 158 1009 1435 209 1311 825 1023 1145 1052 1238 149 1462 1596 125 546 1114 1673 1527 1660 150 1287 1394 1389 1328 1310 626 144 1411 1555 1697 1159 1546 537 1513 139 923 981 575 550 75 1009 1092 1249 1076 60 55 74 1390 961 1435 91 765 1126 1060 1108 1228 62 1028 1090 690 tyrosine 2779 4089 8760 307 6620 1590 8393 4600 738 564 23390 17890 2858 2147 3039 3538 6860 1914 1100 783 1810 1718 18890 485 2928 1532 2736 11600 69350 10910 5320 51 7330 8470 18370 29410 739 6020 209 5393 1171 1151 2118 1293 32287 1650 2008 628 141316 4541 430 6494 3296 2036 5578 2714 788 80 2261 1621 2651 876 1586 2128 50 3213 1199 8896 5622 5036 222 3325 117 4094 88614 1482 88114 233 13242 2203 57094 3375 179 489 180 3627 73841 47543 147 37662 83657 8634 12131 3807 103 2392 8427 271990 tryptophan 31056 26653 255540 19741 275450 30135 34767 261090 25093 27422 297470 307920 34325 33473 41699 21773 262790 25578 18784 22592 32667 35194 275220 26861 84609 92422 31820 545940 498460 572000 351660 39 535940 575860 399920 406220 14476 536040 3521 109773 46281 2723 136734 81392 102911 87820 63324 63202 172176 52827 31467 53497 9513 29129 70041 43271 29397 1535 32594 45288 45949 38184 38590 8911 3032 51922 37449 69014 46063 46466 9723 53447 3802 103690 90006 53716 46976 4354 129627 84209 97518 119928 1892 2654 4314 113257 90874 69998 4799 91973 64664 124565 103761 90693 1284 114085 125457 365470 tocopherol gamma- 962 1322 1920 452 2240 1404 847 1840 1455 1066 1960 2250 1075 1199 1958 1016 2050 1468 486 433 1125 934 1780 951 175 531 245 3430 2220 3610 2460 57 4840 4570 3210 3880 50 4360 255 534 310 188 904 742 166 307 413 455 50 1492 1428 2033 579 749 2098 1236 1722 207 1192 1385 1386 1451 1342 665 215 2101 1500 1654 1157 1931 250 2200 185 397 375 310 214 74 298 439 599 779 48 74 41 784 516 506 51 633 372 768 96 600 52 245 580 470 thymine 111 14 2080 107 1520 47 1108 1160 63 58 3200 1150 192 124 467 317 780 62 282 182 72 103 1360 64 36 81 219 700 2650 680 1370 36 1870 350 1670 920 160 660 68 165 123 74 330 209 111 69 195 23 202 727 71 850 103 383 1281 700 153 55 164 1060 415 317 432 324 33 530 206 1752 850 473 71 435 122 203 106 264 49 48 835 345 80 438 31 62 80 224 223 348 18 267 289 851 699 77 45 390 563 390 threonine 59840 66826 332190 67182 305250 55652 79875 371390 64759 65720 315620 385020 70514 69475 84778 52946 365030 68842 41986 97600 64780 45483 375420 59317 194238 112715 39922 536760 656240 643750 449060 153 617350 666740 458700 484490 45955 568740 9067 128649 90103 8834 137886 107028 130045 104897 87060 90622 154192 79238 54877 64471 27224 50244 84897 70932 71081 4780 54332 70268 78456 72088 77243 28920 5299 78228 95736 96527 72392 79756 29446 75013 5584 114223 93529 60269 56098 6028 127582 105477 107613 123708 3235 4704 5972 134096 112191 130454 7161 117636 123801 129138 168459 122687 3000 136468 134159 312640 threonic acid 922 1263 1600 283 610 941 293 510 701 574 1180 1070 610 704 504 559 420 645 236 714 560 506 1030 390 315 135 147 650 1010 940 690 36 600 810 620 720 69 710 81 256 107 74 177 95 117 126 120 108 328 669 379 812 112 475 1133 588 327 107 606 619 601 323 135 201 77 66 559 605 329 502 262 535 95 337 212 340 166 62 429 307 194 268 26 48 37 235 140 361 49 216 249 454 385 243 50 382 439 500 threitol 506 308 9470 1264 5160 284 1065 1720 845 447 4810 10250 2078 1389 982 432 5430 432 861 2426 724 1122 7970 362 1168 1524 988 6900 3570 16390 9630 62 8610 9540 2760 2810 740 8690 80 2798 321 234 5115 3465 3065 1454 480 464 289 1691 1547 2399 587 719 1842 1309 1723 77 998 772 1302 1363 1462 381 157 1021 1242 2141 3021 1289 756 1252 169 2701 2309 1827 1514 125 542 2492 3872 2513 73 93 115 2446 2983 3447 146 1752 1987 4007 4849 2578 106 2793 3064 680 taurine 108849 130780 141450 205003 116230 145905 103742 97540 119996 46699 112560 54880 64156 46151 107189 141488 76770 86600 96118 90541 50375 170022 102810 56506 145579 138605 54601 83700 170830 107500 104780 31 61480 142500 95600 130890 28684 113300 34196 94578 181399 21449 103208 94996 161361 85685 96108 111239 684 320756 129809 148340 47966 59621 167243 65037 303358 12586 188727 76912 45457 95438 33510 102539 27860 88529 52471 83788 230870 114937 107661 77755 8531 66597 170843 23940 54000 8359 46789 145700 137662 93058 3693 3871 6255 133426 171782 55278 8799 147695 110890 89842 117243 143622 5670 123829 99204 26870 sucrose 24316 42090 2830350 8685 2150210 16533 8478 703760 12537 9152 1958020 3132830 12500 211534 17544 6958 1247020 8582 9213 6619 271496 289635 1773290 11848 220163 319761 303414 2067430 2500610 1525270 740280 717 771800 957860 655100 1782730 15146 1334980 968 325492 95386 57473 153143 165433 44596 199622 126962 219271 194454 26293 7793 16755 11809 8649 40349 275173 11976 848 12558 162737 17525 9850 12553 10035 33747 13861 356027 302773 11612 304725 120475 175532 63561 271430 341698 217324 29612 4429 209909 372841 274510 199355 1631 6882 5369 272633 258504 203491 5499 134940 276317 91772 147336 321910 1913 124142 212857 1898960 succinic acid 36699 165522 19040 2757 32040 154282 21774 32050 17619 12870 21750 33500 34909 49756 18934 8416 27420 176064 4999 59397 26303 3001 27480 9715 60156 12508 2521 71860 136930 70750 40170 163 65930 89450 127070 132470 4403 67670 3161 9222 23769 541 8027 10497 12073 11305 15917 19636 17960 3604 4471 4350 1386 6590 3679 5703 4532 432 2362 4549 3410 4833 7045 3327 242 6183 4525 6405 6287 9014 1729 2980 278 10067 11441 4486 6691 691 10185 8685 11741 10379 379 469 422 12021 12735 11777 272 10820 10138 8737 11980 12966 350 11320 9811 32010 stearic acid 279742 112349 626980 173840 431930 92784 273956 257750 137366 108225 396350 351260 221933 120049 206726 228278 364540 132004 935457 137604 128157 167429 380350 115510 125384 93691 80125 289290 306680 670000 301780 55316 366130 363330 298060 296920 81402 367970 76216 139645 102826 57330 196250 75658 111006 113745 83496 73285 58807 359664 139470 361896 123768 144048 549798 301534 245307 99510 208346 366274 250380 216005 200942 131172 78239 220879 188552 505532 208679 221459 115940 286332 158533 154288 141529 185733 103145 103099 193441 54136 123491 182634 86148 79962 86964 176801 112171 315288 86176 193554 139855 227089 173367 146220 53640 262795 190286 74660 spermidine 1520 1268 5690 425 10790 1670 395 5180 672 954 8960 12390 1207 632 976 318 9070 687 295 377 1038 619 9380 945 3746 2619 1269 23820 11610 21560 13010 60 17690 26540 18930 12360 130 25580 147 3957 1483 62 3076 3259 3087 4092 2010 2604 1036 1340 939 1044 338 508 2900 1940 1232 195 1668 1426 2232 1533 1448 384 209 1639 1825 2357 1381 1679 332 2184 181 5338 4528 3056 3185 249 6935 3460 2245 3442 91 120 137 4868 3450 3411 167 4450 2838 5547 5180 3564 63 4656 4959 4040 sorbitol 27156 17351 1567240 21162 1695950 21193 19207 507820 21262 35121 983150 1851900 24497 38693 19923 18419 853110 20604 17104 40376 41450 32596 1532420 36110 147332 176142 164352 1488120 1190890 4928720 1058380 138 736630 995390 470180 737430 56667 1317510 2143 254141 135508 6348 114468 70730 141676 83994 105413 58865 48444 34530 24723 17467 16236 28478 36890 27896 28068 2371 11645 14886 24222 22459 20437 5113 3857 20117 32616 39511 21084 26367 16038 19433 2195 224415 397462 272966 417319 28509 217333 108961 276913 208135 17028 10596 27510 269718 325001 212843 27074 157459 408273 252242 436656 168893 10484 408076 253950 96540 sophorose 8805 3981 286210 15104 245660 5566 16286 204730 21316 19302 164370 202440 23635 28556 35928 25653 217010 13117 19358 9045 20862 30701 255930 36614 24381 83521 36070 398870 179800 432950 237900 108 361680 360160 158070 205100 5816 322220 2449 78068 46311 3129 96047 53710 40738 80398 48103 52818 873 46163 35416 35662 17789 24102 26527 39511 35105 95 33868 30225 25076 38163 44418 13881 1701 44724 29251 48810 32176 40374 5120 44250 1202 74239 98452 50975 44247 3724 80409 93469 90965 90146 1497 1487 2332 88472 105029 74043 3592 74071 121946 86305 33719 72025 1179 34195 74232 1830 shikimic acid 1249 4256 18120 1739 14500 1098 1338 21950 6540 1875 2420 12210 1792 1411 1604 1312 2990 6157 7860 6635 1222 678 27950 5176 1619 3573 301 35770 97070 44380 44800 15 59280 68220 65590 46180 626 54590 234 1148 3707 158 3585 2742 1325 2760 3087 2886 1216 3099 3289 2675 5282 3185 1366 3094 1850 2478 3504 2791 4209 1200 4956 3767 3525 5946 5093 2161 1954 4713 4216 4617 2971 2643 2227 7816 13470 1088 2981 1963 2132 1840 477 1255 902 2892 2444 2659 1355 2229 2833 379 934 2828 551 11461 2763 2880 serine 219559 263539 802470 208765 736310 259956 236666 757900 240336 210771 748220 884340 256915 242999 295097 177287 720810 253366 146933 305698 232587 197964 894870 202509 402899 257787 116109 1089950 1236290 1353330 883880 104 1237970 1294800 931960 1025680 103545 1082450 30583 281707 185421 36324 305495 222561 298185 214585 190689 199873 338893 279284 241330 278381 111052 190282 316755 263928 282395 14919 209917 253861 262052 246303 244645 108239 19885 251345 276995 296766 216776 267064 107600 250290 27329 277565 254124 161177 138060 18929 332841 255949 253404 281612 7787 15699 16736 285872 240875 331555 19103 268460 268452 288955 352151 269221 8331 328957 333478 527420 sarcosine 41989 44006 428390 48168 417800 37186 39190 451370 35748 44521 541600 407340 45018 47263 15406 33470 485650 39605 32630 61983 44584 35994 446070 35560 66274 48369 34272 511080 490520 416750 436310 31935 429860 458820 408300 453140 46855 439670 36952 52284 43019 33064 76221 44581 51482 36828 41454 43425 20170 38391 40187 43330 35357 36823 54349 42673 42405 29577 39718 40519 52589 46279 30721 33891 29265 43698 56315 48439 40086 48202 44227 34261 27379 43021 37516 40621 35293 17649 33072 40475 43480 42814 19935 30634 18097 38464 43630 53011 33275 44366 44211 46209 57711 54978 29573 52235 55076 435610 saccharic acid 1107 1401 12640 3547 14400 2209 3439 27410 5189 5622 13920 13630 7289 7826 6655 5879 7470 4480 2418 8385 6116 2608 12700 7844 12678 5715 1226 39160 45640 28960 28150 4 47460 17720 37890 41760 2013 17990 447 3856 7723 343 7633 5610 6459 7030 6870 7770 111 3066 4535 2398 1758 1947 2593 4240 5303 254 2796 3003 3251 4991 6660 1667 293 5903 4143 5084 5101 4987 1045 5045 250 3372 3031 1861 2550 218 4125 6304 5030 3737 99 173 210 5537 3298 6281 339 5619 5187 4792 5674 8265 93 3326 5356 300 ribose 2978 2163 79720 2789 69770 1756 8861 49790 3412 2766 78960 104150 4215 4107 4540 2880 85190 4201 2755 4476 3403 445 94890 3372 41565 27079 15503 80130 116730 138820 108040 4 145960 127200 108890 98210 9260 127560 588 35546 24824 597 47863 28344 22747 29589 27433 24656 1246 3603 3500 4323 1328 3803 4669 3324 3823 750 2535 5905 4747 4451 4209 1713 499 5332 2504 7167 4158 5531 1684 4837 598 21848 23098 21883 22488 5127 17148 26571 27296 28373 2015 3152 3811 28158 26312 37835 4064 46827 24704 22045 36561 24249 1752 42142 25350 4240 ribonic acid 840 617 11210 809 11800 539 755 9240 267 520 7840 9660 884 771 1099 681 7840 1063 702 991 1366 702 10250 951 2169 607 440 12230 13800 15460 6660 99 8030 14800 10810 12620 212 12250 82 1425 541 61 723 601 913 781 416 458 2389 1208 815 1447 187 521 1796 1750 1779 194 712 1093 1604 1617 1444 551 184 1856 1268 1578 1569 1681 458 1567 142 1418 1295 1466 563 126 971 1235 2314 871 101 68 66 2279 576 1544 65 1333 1411 2715 2807 1430 70 2949 1989 5310 ribitol 976 744 58020 2936 21390 885 1256 19940 1216 1594 14580 29380 1488 1251 1829 1294 22960 1022 2504 1315 1335 4499 36750 993 5084 5274 6786 38830 14800 51780 16140 32 26840 52450 12810 13070 833 28930 175 16755 2692 484 11464 5292 1073 6611 2381 2609 1154 2677 1556 3857 1381 1406 3359 2147 2667 216 3485 1968 3345 2072 1922 688 304 2311 2210 2516 1759 2059 2044 2779 196 10962 9599 10724 4949 410 7088 8373 8370 12201 369 199 422 7966 13098 9832 907 8419 6844 9627 12651 5857 636 1546 9759 2630 raffinose 10448 57424 3950 427 2860 14961 1649 3100 30400 30672 2750 2190 8646 24416 13893 8405 17970 14361 1825 1471 14061 179 2420 6144 997 45824 5303 8740 2160 4490 3290 42 8900 4190 2510 4320 303 3070 6702 648 31246 197 8653 9348 825 4062 31422 23613 2663 2940 11578 2029 1658 2726 1666 1755 10735 563 2519 1308 722 7660 9097 6305 145 4819 2023 3533 11636 10342 154 3128 71 5348 5150 747 5554 55 3209 5331 5423 9417 23 103 53 5154 30046 3815 48 5435 3381 6366 612 29712 60 1059 16457 4400 pyruvic acid 233955 146829 1006180 196434 1045150 242004 151282 992690 370182 299097 1080840 624080 247585 235728 263965 150263 1041680 184949 116196 495427 325226 114466 1248540 365516 535182 314431 64658 1376530 2286400 704860 812830 53 1654320 1371480 1843550 1281660 170723 1616880 40350 166060 285986 13603 263002 273652 392087 277725 269974 215014 5006 173588 227392 92746 113074 134813 78731 209055 254231 10435 10701 151954 120129 208993 208199 73972 16960 216743 121865 228608 176971 188213 39549 109717 6970 162893 186326 73625 38199 19616 152477 179243 177648 203965 6646 9164 13312 231390 170513 255632 13444 168225 159933 169320 216036 187435 4588 221549 110128 30530 pyrophosphate 129493 112250 97970 66125 111450 148562 70321 116450 104798 79657 83820 99330 87848 113753 77296 66520 82910 98662 54392 105548 84181 48416 70980 65889 88242 30089 15149 137700 182810 160970 60190 14628 82130 108950 161230 143840 13834 103500 17755 60527 36985 15262 35048 32788 31729 40509 28018 32723 13802 66060 63050 63795 38590 54070 87222 76893 67565 15105 54961 57897 65803 80828 72471 24990 16618 68469 70353 61208 45957 59853 38908 90438 7929 25865 38063 27500 11632 2819 25995 25304 43329 37154 14808 15383 14345 39334 23931 41176 14935 31335 32769 46398 39904 31089 14542 33106 22779 141000 pseudo uridine 1014 1033 10190 1284 4960 9933 1587 5400 944 989 7790 7560 1503 1137 2274 1402 6200 800 1202 894 835 1976 6310 922 2701 3175 1066 8780 6370 11090 8180 15 6970 8870 7030 5450 359 8280 135 2891 1998 277 4277 1930 2027 2026 1622 2062 627 2529 1412 1239 690 918 3326 2111 2022 89 1743 2230 2367 1998 2210 763 168 2249 2144 3058 1937 2563 801 3064 175 975 5307 1246 2662 142 4706 5694 1662 4875 78 101 133 6439 6166 5067 220 5517 4820 3362 4504 5211 83 4928 4568 920 propane-1,3-diol NIST 1964 1588 25500 1785 25980 1815 1362 25450 1777 1943 25100 21530 1664 1648 1644 1767 24330 1666 1771 2334 1808 2182 25510 1449 2448 1813 1586 24800 22890 21840 27520 1770 18400 25390 24910 28380 2489 23350 1845 1742 1692 1961 1627 1855 2247 1860 1776 1991 1411 1891 1784 1706 1501 1749 1193 1746 1785 1636 1529 1725 1557 1238 1666 1667 2066 1556 1706 1744 1991 1652 2238 962 1854 1857 1762 1377 1402 1903 1668 1653 1580 1681 1981 1882 2189 1573 1576 1826 1981 1611 1622 1539 2016 1451 1759 1814 1240 28920 proline 2961884 1183238 14049000 1829676 14386900 1795503 2834272 16985830 2048757 2701974 14521250 15008270 3391466 2013636 1454059 2870212 15768470 3455923 1657318 2697234 1699640 944662 14546840 3125496 1462545 2254777 1659769 21964030 24923090 22798460 16959110 927 26348950 22049930 22181280 22349090 1720370 22945270 682070 1915638 2413443 204673 2143229 1269672 2436546 1662139 3157970 3773461 510714 1848204 2353212 1410765 747378 1933653 1535521 2821471 2709354 171020 1097538 2401199 1702908 1713490 1806652 1594893 103522 2730613 2031542 1894671 2931025 2988284 695626 2423627 107276 1621452 1874791 2109657 1973677 258542 1132647 2277234 3438413 1406424 123451 186769 189866 1848941 2198227 1701285 300905 2202015 3301676 1887194 1656314 1334253 99530 1463628 3445387 1056430 pipecolinic acid 320 434 3260 382 2780 247 314 1870 232 379 3540 5090 233 392 333 136 2170 308 157 722 554 214 3830 305 738 505 304 3380 4220 5470 2670 32 12600 3430 1810 3530 127 3280 59 1136 281 73 406 442 436 336 270 297 9516 276 241 285 104 248 568 338 323 10 386 364 393 420 304 183 41 353 776 670 317 407 164 440 94 1117 460 576 504 31 932 584 615 570 41 63 39 802 582 593 66 706 1386 1262 813 770 27 837 2409 27990 phosphoethanolamine 64634 10120 1890 155405 9090 17616 81698 7130 47258 39186 10130 26270 58187 33167 108855 36779 81760 16683 44142 68984 50534 23274 153740 36018 19274 3057 6412 110240 15220 277910 5980 51 11030 127270 5880 12540 10284 8260 5745 30526 920 10606 20856 1444 28781 11946 2299 2691 191 66651 76591 8694 32196 70612 75395 171991 28126 19563 34799 98298 149807 56105 76238 7087 1217 32688 103467 53564 6126 77528 51526 105866 11741 7164 1412 5414 2931 38 16159 1962 6052 2434 38 713 37 1002 2701 20336 373 6250 1109 12580 24180 3456 353 7760 11470 460 phosphate 295893 288138 1565370 291285 1540920 233614 255656 1610300 99485 250461 1369570 1315020 240815 277900 324925 284081 1454940 300569 241016 76220 277943 265653 1363220 291345 205684 303121 161556 1786480 1912840 1815650 1718460 333 567560 1710150 1752250 1769000 182205 1895180 72875 282792 249652 117164 283006 266550 334638 296655 277620 277097 154867 297791 257969 289237 264588 237263 306128 209779 342598 82190 320851 315285 319743 242730 312477 195615 113356 262708 313887 290476 242042 184480 241306 307663 75213 237099 282501 218939 199593 45547 231837 294209 280366 248367 13543 40622 24985 210681 296496 273696 38302 266402 248224 288220 372531 286126 26706 308114 255205 395150 phenylethylamine 2173 4659 28350 3295 29500 3450 4088 18880 3354 1837 23270 6030 4770 2219 5274 7159 24750 5381 2751 2419 1774 5477 36330 3071 13991 1434 1865 35760 31510 42490 33150 71 45560 26850 31630 44070 3345 26870 102 2844 1389 405 10811 823 7745 6389 1102 3446 13823 10458 4984 5583 1041 3025 5390 4374 8253 69 9228 5474 4063 3788 2310 3783 89 2540 4009 3594 4728 6197 735 3337 129 3834 2722 1475 713 390 4207 1919 3574 3025 172 242 214 9449 1548 2473 250 5528 2140 4714 7943 2687 85 12981 6938 12470 phenylalanine 16563 15646 274480 9853 233570 15618 47247 227510 11704 10010 269010 322150 18615 21781 20747 20601 225910 17189 16750 18802 17161 12901 294830 11210 103981 71209 33770 360120 405720 474570 291790 127 378240 431470 303000 315010 30345 395420 1935 93783 56151 2270 100274 69816 88850 70690 56380 50571 344138 21022 10495 23374 4468 15592 35775 22504 10741 1365 10520 29536 31693 17302 20479 6593 774 22323 27474 43215 33561 26671 6367 25937 2418 83155 70691 46845 36456 4011 126344 77670 65059 89765 2159 3554 4367 86823 71707 91366 4772 70577 99078 99854 120935 77310 2157 98583 119689 594400 pelargonic acid 1952 2837 86510 3476 98280 6071 14881 23500 9117 9330 88790 15330 16091 12450 4935 2775 19390 2404 4087 3580 3322 2245 23820 2039 12981 21018 2202 23450 22280 30190 81910 13328 16900 37000 74590 77580 2895 99000 11786 2537 9505 2516 1762 1840 4104 4140 13610 15601 18762 14062 3030 3194 3779 3344 9145 7915 13506 2295 3346 7167 18989 4778 14572 2577 2319 4132 3615 1001 4013 4290 4571 3246 2748 2646 1470 3887 1342 10192 17215 15542 3860 4421 12110 16986 15575 4383 20344 16437 18056 2186 16749 2956 9676 13734 3522 6513 8925 68290 parabanic acid NIST 2655 791 13070 2234 6720 2512 2522 7390 2649 2123 11570 6230 1392 1926 3040 1373 6270 1592 1381 1678 2390 3292 12120 2334 2679 1171 1607 7440 14350 7700 8750 265 7240 6070 7520 9510 1585 8050 614 4032 1255 445 1812 963 3886 3340 871 1078 3269 5065 2404 5749 1149 1885 4704 3549 3448 836 1843 3903 3135 2903 3726 1161 970 3363 2228 4829 3410 3961 2076 3118 824 2718 2031 3472 2576 563 3597 2237 2296 4441 356 673 515 2811 1605 2878 585 2396 2166 4133 5851 1875 415 6944 1114 4740 pantothenic acid 7844 9129 6440 7361 6940 10393 6602 8480 8097 9533 6260 7100 11422 11264 13475 9302 6810 12133 4617 10386 8596 8573 8680 8819 4054 2342 845 11110 10320 11450 10160 43 13090 17230 10810 12890 437 13520 1166 1848 2276 1111 3421 1660 2664 1719 2119 2058 482 11472 9446 10894 3588 7420 11993 11340 11577 563 9506 9685 9699 10598 10484 4177 645 13345 10309 12210 6982 11482 3296 13255 396 1692 2617 1205 723 116 2881 2786 2525 2327 70 178 196 2233 2369 2643 254 2736 2266 2575 3124 2137 203 2376 2778 800 palmitoleic acid 18223 6813 263220 22455 107610 3676 28151 214110 14047 11393 177390 209990 24493 8024 26761 19062 203360 8389 42209 15570 20876 21950 216660 15509 34983 54076 18996 328410 191150 645950 285620 22 449930 526020 185510 180410 13780 491960 1781 65647 19987 3334 265954 40125 149700 59983 26610 23715 116 37811 12450 39486 12963 17052 33051 28733 23372 1958 24405 31638 19951 25765 24856 8551 2229 33602 22917 51177 21182 31752 10014 33767 2533 39250 72796 50387 57344 3777 72964 74687 56472 77591 1249 5018 2863 50809 81016 83667 3680 145774 60614 88884 83404 52829 1395 108654 75262 880 palmitic acid 61874 24809 404370 70464 280250 18213 84344 169070 35730 25004 277020 282350 61059 35090 70820 56210 262980 27270 159096 40427 42840 66685 275680 33170 46356 43390 35717 236690 169360 730760 230290 10057 330860 320450 161630 153190 24213 296110 12908 98524 28330 14670 228977 44797 108635 58076 30119 26080 13615 122223 54613 120164 38919 49431 147839 105553 76897 15028 61049 117769 79407 75249 68067 34146 14989 92255 66717 175933 74828 86420 36702 97409 21363 94307 91362 91873 67980 21451 121216 108974 82418 103084 16065 17746 17338 72355 85783 134516 18169 160234 82683 146554 112851 71904 9033 172496 113011 12990 palatinitol 584 186 51680 811 48100 288 865 1190 961 953 31650 48820 868 1338 1427 1034 37560 11403 1195 446 969 1818 60150 28933 1777 11035 5964 56710 20280 132640 36990 37 35300 40300 11930 17410 770 45570 192 15575 4258 230 13737 5248 4663 7890 4201 3868 423 1841 1565 1444 984 966 1395 1395 1828 109 1340 487 1054 1743 1787 454 110 1889 1270 1279 1303 1504 343 1902 58 4491 23458 8938 12788 731 800 11497 14587 13442 437 381 556 13458 21248 11216 829 11486 19985 17386 5499 12389 314 9494 15659 640 oxoproline 269690 258478 1838140 365575 1134460 317458 278719 1414040 263639 302586 1081170 1307720 294831 257815 325200 259188 948660 282231 210509 338820 272132 372744 1222990 266436 734159 313096 178317 1141710 1752330 1457250 1226620 375 1553850 1710900 2048100 1849820 149390 1773510 34791 316154 428095 65819 349042 312002 253354 231379 326402 330119 793325 472865 323101 530249 175165 244596 578093 387043 422948 29996 427818 358103 446151 345629 326087 135507 35806 382298 451373 421413 297079 376461 201297 451301 40423 298734 373532 257138 124903 26274 426295 355324 340121 369844 10195 15153 19076 433112 299812 428039 22228 292179 478762 394363 403359 383567 8631 398941 457756 1755750 oxalic acid 269 322 1050 383 560 912 558 780 412 547 870 540 107 145 509 622 420 656 494 370 491 559 360 382 117 148 84 660 380 780 650 264 570 580 760 850 135 740 104 352 105 141 124 258 181 204 95 140 352 990 624 996 250 515 638 703 1184 96 749 875 651 508 373 400 416 806 441 672 847 873 239 419 147 547 230 222 107 69 216 143 230 244 76 123 42 397 145 79 93 115 175 261 182 108 43 239 128 1230 orotic acid 262 422 4970 247 3950 411 319 2980 464 358 3830 4530 331 262 458 255 4120 448 135 453 333 240 3730 286 1894 610 406 4270 4650 3410 2950 53 4070 3700 3790 3990 369 4300 34 1090 575 66 859 659 676 772 614 629 80 425 406 395 116 313 993 512 397 63 331 543 657 300 378 177 56 635 426 578 281 270 134 423 79 1298 1354 845 517 110 1968 1331 1388 1595 40 63 109 1542 1202 1673 77 1777 1176 1405 1251 1285 42 1581 1924 420 ornithine 327460 207360 999130 286221 851010 289991 225394 838960 223350 234035 980590 947760 275075 324005 313232 205252 759210 264639 92027 413354 291004 154076 659050 283011 477604 213071 87431 1221180 1200180 1294590 999780 187 1452570 1269700 1310760 1352510 64726 1383240 15493 302473 165697 11829 320091 225599 317618 189889 148156 180826 165816 300970 267200 302033 82087 200066 312305 276331 259868 19677 191959 242945 256894 233315 330963 73820 26317 368905 328725 374057 173987 326758 117051 383107 21334 259572 187301 153840 105558 6064 264528 212604 252528 312789 2479 5064 4438 350270 185331 178318 6452 223596 197189 310714 387372 217029 1956 379604 329813 297270 oleic acid 27460 6666 373820 27244 254580 3928 33876 167990 12493 9702 249570 280940 18492 10454 34374 16455 248900 8850 42684 11226 16132 36731 263240 11457 26444 3034 26834 226920 150210 777290 17680 51 393470 390940 14560 158430 646 362300 1714 93787 1797 4422 210802 39916 88926 52847 18898 1930 1679 67434 26050 63472 16031 23067 91224 47155 32970 2743 41463 52805 38734 38536 31498 14439 3846 46378 38692 94623 37646 45057 14552 51185 7532 74011 88166 78852 65530 5670 127147 112247 82310 113920 146 7287 4423 103284 91118 99504 5242 181508 82330 139246 93749 68996 2357 186158 135912 3660 octadecanol 732 229 14580 315 12220 630 1014 11740 522 436 8380 10690 664 582 619 461 11360 81 1413 871 568 554 10240 559 2663 2609 707 14640 18840 18000 13740 169 16820 15370 16620 16140 633 24150 158 2204 1522 171 4913 2751 2042 1543 1148 1421 195 611 379 759 321 364 1597 630 616 154 633 285 727 484 498 238 188 427 718 690 475 548 352 661 284 2656 1740 1700 1042 315 2440 2268 2094 2135 182 192 233 3337 1462 2941 282 3454 2422 3339 2672 3121 171 3945 1840 1420 nicotinic acid 7263 5065 92600 31411 67910 5506 10475 86180 11479 13223 69480 104430 16016 11659 25617 13607 94360 10762 17276 16751 14266 32617 112460 13860 28612 26200 12629 148040 66420 210740 78820 52 133670 194440 57550 61970 8260 118470 1231 43440 7649 5314 51893 27648 51257 28086 14045 16660 4435 35968 25499 35904 13516 21088 39632 28730 30008 1486 36813 27946 34617 27132 23448 11268 2358 28279 39654 28627 22048 29106 16896 33064 2545 32918 33502 18256 15158 1119 33849 37307 34912 36472 766 863 1252 35180 32926 42623 2025 32338 28288 29609 41939 26675 727 35447 35137 5670 nicotinamide 4273 4942 12870 4122 11820 3671 3158 16180 4076 4360 11110 15380 4882 4299 4952 3694 11370 4534 2409 6612 4032 2128 16520 4413 13831 4704 2527 19950 22220 17150 15860 60 22470 28720 15800 24860 3559 23520 737 4572 4945 456 6790 5431 8001 6014 3932 5485 3184 2688 3975 2718 1247 3121 3914 2924 4037 626 3036 3386 3794 2894 4494 1573 399 3368 3734 3540 2416 3909 1890 3408 488 5119 7181 5579 3646 614 5714 6051 5557 6084 368 391 541 6023 5847 10748 701 7124 5623 5150 8414 5952 268 8232 5404 5080 N-acetylmannosamine 231 239 1050 291 700 170 223 1020 421 146 1130 1320 243 232 550 413 1520 297 165 520 322 202 830 553 1704 1203 319 3960 4080 4620 2490 38 5190 5970 1330 3180 106 5320 20 771 1042 33 1760 952 671 601 957 878 93 585 289 524 166 193 531 547 177 19 376 453 336 385 450 146 41 565 423 488 332 582 90 589 21 1276 533 1460 2216 146 1322 1369 1032 1122 60 156 120 265 1365 1671 108 1275 1498 1324 646 1324 30 4092 726 0 N-acetylglutamate 1493 1787 2840 851 2510 1769 1164 2710 973 1053 2220 2560 1369 1334 1458 933 2410 1475 529 1670 1235 658 2120 1027 1230 682 265 3030 3670 3360 2210 25 3650 4030 2620 4210 247 3290 207 644 463 108 663 616 477 578 564 312 356 1061 1065 899 376 896 1482 1304 1020 47 843 948 1299 760 936 431 69 870 1069 938 672 1007 362 843 126 642 631 174 290 31 880 716 783 547 23 48 49 815 675 799 47 691 682 864 714 847 50 712 855 600 n-acetyl-d-hexosamine 408 997 12450 650 41710 547 769 31980 857 615 33220 47580 949 744 1237 596 39040 1591 649 1293 1011 475 35290 1626 29278 24656 4179 4280 77000 66090 47530 48 94600 80080 66870 75420 1099 75610 112 14194 16936 63 16642 18254 12784 14576 15758 17552 1628 1381 750 797 621 782 1331 1447 2238 265 777 1346 1164 1550 968 297 195 1894 502 2085 1204 1132 245 1284 200 18114 25867 20400 24848 3251 24484 19604 1831 22480 597 1956 2017 26418 22537 23384 2033 39852 28195 17857 20627 28982 687 44971 23265 2940 N-acetylaspartic acid 77994 183326 6750 3325 8950 181709 12270 7100 15219 12910 6360 9330 8294 15514 7784 5858 4910 93165 2715 13180 6872 4113 5000 5001 17522 1988 244 4120 57850 13010 5790 37 8680 5000 47610 50230 515 5070 1239 1420 9790 495 745 926 309 600 5629 4794 88 5157 3818 5426 1435 3358 7541 5497 4740 236 4356 5017 5324 3471 4310 1482 302 4411 5174 6120 3597 5601 1757 4583 300 1665 1274 616 368 111 2962 1058 898 1102 82 54 60 1644 1073 2437 44 1383 1836 2132 1426 2814 30 1700 2636 320 myristic acid 24914 11856 347340 79337 237810 6181 50989 139230 27938 22785 221710 292910 45790 25294 71178 32112 216810 14211 66444 25317 35376 81283 225310 24778 23295 26072 21036 200000 142590 618530 178370 649 320140 252170 149710 136650 7423 269840 3808 66430 13922 10675 82038 23373 44531 21627 14924 13425 793 113407 60234 91306 39084 57305 150135 92023 62284 5472 87716 110300 65021 69908 56333 31447 7266 92596 60165 167163 76214 98386 22523 96102 8559 65146 48766 49513 36687 3422 89908 69092 46314 65272 862 2358 2013 59830 51790 72153 2759 100520 45891 89988 68747 49263 1122 91861 88469 1920 myo-inositol 93371 120033 282170 52982 221160 101233 74250 331450 73139 60094 229290 229830 88510 88020 95177 52396 218920 78657 51188 95944 91386 48437 220000 72685 119430 92914 24705 391460 446610 440510 359530 73 511800 547030 355960 377260 22431 448550 9526 72790 78104 6584 157445 75924 91531 75258 61958 81690 20318 66456 80808 70717 30303 63744 69394 76121 14886 4145 41804 74016 58820 68446 76483 32652 5042 89404 69046 103767 86281 87393 20283 87695 5061 75540 99541 71581 6147 7579 82190 90504 104764 90257 3322 7446 5685 91294 95340 92336 7730 125834 82899 101211 98788 83214 1400 127063 92574 38180 monomyristin 440 661 7420 311 6420 659 295 650 338 332 2870 8500 451 205 251 217 3260 428 505 335 338 313 5110 302 48 29 518 410 870 11580 600 37 960 620 870 500 74 870 88 1441 85 94 168 68 82 89 36 94 967 535 388 598 565 427 1461 556 371 145 625 453 540 446 430 207 437 626 730 878 364 426 439 519 284 1173 973 1051 271 53 4051 983 622 915 45 83 86 1063 466 785 79 1518 1292 1233 427 461 49 1088 3577 2010 methylmalonic acid 27669 24359 285760 34002 248730 23515 43351 237560 18344 29706 279170 297440 25312 30959 29256 29890 213090 28718 69374 38398 28547 28192 270730 26722 97895 65612 33632 319340 394680 424230 286300 10441 355860 376820 283230 292070 39065 331270 7394 83826 52340 14519 73652 61595 84168 59533 50194 44792 183387 38226 23093 40217 16869 25623 41472 30057 25348 6067 21818 35945 38591 33743 27435 13989 14676 34913 39511 52379 44548 32122 22601 36978 13724 75805 57985 40583 39433 5659 93508 63865 60627 77980 12037 5941 8500 76242 63970 115663 7330 61533 77875 84933 101401 69223 11837 89268 91498 493440 methionine sulfoxide 46080 34039 512270 81007 530170 81441 42159 512750 42123 69085 494250 398500 48372 51429 61109 51930 459150 60117 33060 56910 70486 76709 498470 50642 209642 89936 59578 1018570 995070 993730 475470 113 620980 1169290 826560 818070 57374 812040 6522 288054 103701 9586 145358 113026 204565 176784 97145 119747 17414 86464 57734 81138 26277 48887 82655 65772 51835 3269 69800 48613 39225 59433 68079 11854 8058 82955 42577 126706 73692 46789 40061 74256 4277 168112 86427 56157 87729 11819 134443 103519 97660 155139 7348 7082 6926 133595 135745 74514 13218 112938 48445 140197 222645 60682 4781 148788 122404 37550 methionine 12589 12329 139940 15164 126890 13269 24560 133750 12516 15380 148750 182010 18036 18450 21361 16824 139530 17418 11773 20180 16274 13929 171220 14011 66524 39570 16535 228820 248710 279000 148430 43 227310 270110 169070 181410 16755 227550 2148 53431 35387 2430 52367 37285 48646 37095 30254 31439 111858 19656 13996 19555 6097 14751 28181 17463 16253 1028 16427 19295 24708 18443 19205 6178 1371 18113 23741 24747 20369 19399 8648 21558 1479 38791 34318 21939 19411 1991 55174 37094 35481 42509 1096 1369 1794 45877 40789 46373 2143 41445 41699 44499 58774 42523 853 48570 52573 222560 methanolphosphate 5439 3547 4370 4593 4820 4061 1846 4300 5058 4005 3980 4100 3516 4239 3623 1795 5990 1061 5289 4422 5494 4927 9330 2256 2590 1216 857 6950 6820 10370 5190 54 2960 10580 5510 6520 2170 6630 1036 4637 1078 1174 3140 2115 3663 2639 1525 1070 37 3229 3518 4361 2444 2419 7843 5380 7755 884 2407 2695 3704 4117 3846 1005 1495 3812 4847 2552 2605 2380 2670 6356 828 3516 1266 2079 649 504 1015 1730 1532 1623 175 358 245 454 771 1190 584 866 1360 1562 3105 1179 290 3245 1150 1760 melezitose 421 416 132350 92 48590 305 286 4560 1108 287 56980 73500 261 1805 442 1721 27620 506 227 75 1050 2174 58110 191 497 2040 15595 10050 7240 25600 12150 21 9640 9620 6350 11500 74 9420 140 11856 341 696 1750 772 190 925 657 860 145 799 305 486 226 192 3280 414 394 25 370 1136 572 91 243 203 362 319 1998 3800 1266 1443 225 746 226 24835 21916 20985 3678 528 34653 15658 12821 18452 202 626 481 17250 6248 6792 719 6952 35317 29408 1516 5809 334 6514 710 50 mannose 47719 74708 613640 31267 840980 81365 55029 1139230 93712 75915 626480 898080 62814 82151 63346 52353 624830 89186 22931 89665 68832 26952 74870 88467 633039 423285 66628 1864430 3239580 1308610 1881360 26 2850400 2904700 2944690 3207740 96468 2892260 9154 177595 466127 3794 336132 32451 34288 343788 402828 452639 33145 4997 45714 14081 21969 34652 49286 60050 59685 3042 35456 41412 40150 15876 56156 21106 1266 43223 41848 56087 40778 3400 16953 40981 4609 274910 364033 205336 624566 85182 380664 183646 349457 247274 36904 13144 59691 338679 35039 294832 77376 558904 92517 50169 84278 415985 785799 548954 354190 52960 maltotriose 167417 131310 327950 8745 332300 195309 200315 527650 274249 213023 259440 243430 167585 176502 119356 77263 367250 125534 44282 34856 140912 18058 355710 97431 24512 97864 44038 950970 326120 451820 489460 86 683220 589910 452590 487850 5289 530240 23181 52516 51600 2414 87758 78193 24926 101455 56603 57745 228 38404 85196 26920 20818 33177 37712 94396 163287 7483 20534 60904 39823 52723 93766 20336 2904 65725 16723 57211 32952 64468 1918 50068 1559 50037 95798 55441 43882 2572 13522 38844 119867 64526 247 2224 360 63013 29106 103079 2666 48525 34695 58844 13818 29708 494 21883 34313 1050 maltose 1396082 1240834 9834930 781692 10125370 1150902 617507 12997560 1621572 1622820 8093030 8327450 1094522 1899578 1330187 1719418 10008400 1775060 918663 1248023 1480206 945625 8024680 1090293 1616015 2096894 1165985 15844490 11794200 10601800 12005970 113 15508290 9790510 12188600 13191040 467048 12644830 373036 1447694 1895009 163521 1478424 1514783 1527971 1768936 1356346 1929001 519335 1561385 1577079 1315657 882023 967905 1222024 1090778 1718872 189161 1273225 787208 1313752 939916 1719807 1024892 104179 1033529 1446135 1196159 1343721 1060772 215490 1460287 101220 1318017 2022199 1381400 1020405 153349 1492122 1812908 1848714 1139049 49462 110452 78198 1718269 1967874 1533085 109701 1523177 1756926 1745399 1280947 1928476 34968 1182539 1545449 505120 maltitol 640 489 111920 847 87600 441 830 13080 149 790 49240 99740 1133 2080 2091 951 39990 194 1530 398 1547 3529 83200 1481 1005 7828 12833 46250 19550 168240 27660 17 22630 22240 11350 18420 404 42740 208 23813 1360 602 10058 309 2769 3848 3573 1468 2933 2007 1380 1952 1003 1221 3120 1225 2148 96 1600 1960 1665 1670 1548 628 381 2362 3091 1399 1219 2654 277 2159 102 23544 36684 18797 14103 1328 23526 15238 16669 22939 720 457 1244 19695 23773 14801 1262 12467 51901 31347 7491 18703 571 18902 41665 2000 malic acid 4943 6254 16540 390 66310 11826 2747 33600 1515 1958 32820 31650 2482 2394 1370 912 49800 5355 281 2486 1736 957 28560 778 29959 10160 1950 55770 112650 65100 26360 28 35610 46260 77700 70160 2899 37310 161 5399 20607 165 2777 5525 8307 5028 12225 10492 3769 424 734 883 227 3402 773 760 324 88 452 689 519 568 776 561 134 655 1312 970 717 1135 443 619 121 5919 18763 2794 4831 1284 5669 4794 16504 8761 167 341 210 7955 17043 10766 243 13704 8469 4880 10002 12380 103 9319 5643 3300 maleimide 1241 1592 7720 536 4790 1479 1770 6570 803 905 6690 8390 1887 1338 1519 1307 6370 1415 2379 928 951 1163 7410 659 1508 1239 624 12440 8330 11040 5520 79 10510 11810 7550 9370 269 9360 134 1685 1377 132 1398 1264 809 871 1124 949 1460 1674 1187 1582 678 1073 1545 1388 1266 325 1026 1450 1679 1049 1162 685 559 1895 1450 1650 1527 1732 558 1059 347 1648 1610 1466 1697 106 1756 1373 1463 1729 44 144 80 2080 1358 2565 98 1752 1650 1778 1513 1479 120 1870 1790 6730 lyxitol 943 1004 55360 194 19960 973 869 18340 2874 1594 14120 11960 2661 3176 3454 2220 8130 2192 2392 1117 2496 4720 8870 4256 4619 1853 1576 9250 9030 12590 16100 73 8360 9220 12050 7680 1183 23420 515 15809 1353 193 2404 5067 10211 6558 1406 1494 7075 477 1219 3708 569 1132 2810 2037 3408 173 1432 1470 2126 1967 4012 635 304 2438 1723 2484 1725 3655 2132 3037 239 11421 3094 2413 1221 186 5501 3681 2371 11638 138 165 251 7714 2723 4090 174 2869 2859 3376 4411 1933 93 11507 2785 13040 lysine 67554 11756 238090 73011 206040 45431 27446 122910 33598 48140 313740 314590 31063 22441 101925 17901 228900 27576 19800 64924 68739 72702 431430 36314 140289 50390 24685 758980 884130 646440 283960 17 367720 689360 250250 390860 12943 423640 3100 153218 34865 5489 117393 112840 148780 123104 31229 30186 416575 153398 68731 168884 15020 44952 116029 91647 67064 8668 61635 77120 72993 109398 70002 15720 10180 145314 72069 208483 128717 123368 21993 166959 6711 198754 26012 58205 57944 13395 153581 44902 126877 184076 7534 12585 14247 182896 67275 64890 8001 97391 47054 161304 240907 67951 208 329203 107514 778750 linolenic acid 45390 14328 192100 46947 105880 9051 50507 132760 25716 19945 159130 199740 36469 20900 63698 37366 151910 23117 70342 21204 29475 61293 162060 23569 24659 25363 1797 201460 128460 365880 119810 23 230160 339240 140650 146530 6498 254770 3887 37331 11412 7784 130657 13350 32495 39548 16766 19164 992 111244 44731 120329 26529 40966 136047 78350 61988 5390 72193 89463 7002 61576 56758 27406 6450 79051 62907 145746 63962 76959 25130 85577 10316 48206 49109 38745 42192 3252 77325 65651 49399 49767 1512 4410 3165 58484 22286 24602 3502 100609 51898 71827 57469 40752 1589 89309 64325 3330 linoleic acid 10531 2764 231430 11822 151660 2119 16191 122720 6283 4889 151250 203760 7253 4947 15228 7208 154250 3788 14907 4610 7960 17139 164570 5733 17225 21860 18522 198010 114720 435670 137580 47 206830 275170 116310 112220 5368 218530 835 59674 10307 2870 96310 24389 43842 29349 13547 14819 8068 26599 11553 25657 7724 10092 33813 19794 14585 688 21034 24204 17849 14909 13764 4366 2121 19851 17104 36503 16627 16450 8070 22401 2377 47038 49757 46968 45212 4445 72165 63552 51695 69883 1136 5670 3670 63536 53008 55430 4612 93414 48412 78652 51908 38154 1928 108618 76507 19420 lignoceric acid 2257 2642 4630 971 3990 3005 2599 2330 1645 1617 2580 5220 2309 2980 443 2765 2710 2157 2312 1182 1954 2131 6250 2220 232 593 482 5940 4860 9310 2580 88 3850 2930 2140 2770 87 2590 471 1624 242 333 1026 1919 159 1570 157 317 1062 5267 3388 3900 1829 2314 3705 3674 4628 1574 2858 3164 2245 3498 3249 2171 1606 4589 3329 2168 3037 3356 1209 4193 1354 1482 1650 952 854 223 1490 917 1247 1393 137 356 138 1114 1613 562 132 1465 2215 1610 351 933 729 1526 1893 1060 leucine 129709 107386 1896040 154307 1599470 76356 323062 1544350 100684 113583 1864170 2013080 170837 189249 169710 192847 1603500 124373 159503 183402 126256 124233 1952660 105707 766009 458565 226592 2346230 2787710 3291500 1901100 786 2493240 2742160 1973340 1962750 200087 2423370 17874 583536 354408 25405 609653 440895 677011 454409 346310 318264 1356695 180288 105642 142182 60781 140009 109083 173781 126568 11887 130767 243819 270785 137096 192198 65665 13101 74235 217109 175638 275828 208449 81973 171026 21169 490614 481713 335395 268410 31177 836753 561327 448837 553388 16038 26595 28644 504590 503601 632530 35276 526492 647981 592140 989656 584769 15800 700310 807490 3244460 L-DOPA 484 152 2150 496 2340 8983 1262 2480 431 109 1690 1590 487 275 643 743 2660 370 756 57 152 914 3010 228 873 1579 654 3130 1720 3240 1820 78 1890 1990 1550 3000 267 2860 53 1101 767 144 1685 702 592 815 774 812 3413 1524 1064 1711 293 789 8388 2319 3672 127 2367 2619 3133 1540 1621 964 1132 2173 2750 2642 1452 2205 627 3954 174 1247 1929 1079 1117 248 692 1565 2169 1554 74 57 114 1176 1944 1563 145 1828 1128 1476 864 1648 63 1689 1551 250 lauric acid 47245 54733 3163040 517517 2254780 51925 78936 293830 76246 67604 2006450 3885680 78477 55474 324670 54059 1806270 49334 84560 71774 63366 690228 2065310 56173 38558 27504 32129 399650 348410 6576680 443940 10382 592760 493910 449630 470640 6223 557760 20699 547992 27182 28745 48962 22289 40569 17767 34390 17906 7277 804087 348216 945696 207610 313594 1307086 637507 405666 16623 788242 612134 823876 419314 344838 170217 40304 541791 735346 949265 467041 611334 339434 610216 49889 540907 334880 221973 157134 22875 728805 383581 247684 355350 10562 6354 14747 420130 287489 433963 8378 450945 329545 585333 447109 313217 2298 659616 740377 105050 lactose 34891 29987 796160 20977 673990 43672 47616 1150820 30141 75897 809010 384980 59045 60530 21920 1782 358940 22771 10940 14001 45194 1910 608330 26267 10156 20728 5387 2072430 2157110 1547600 1628870 11 3088740 2489950 2165730 1594000 9423 2383430 3155 25060 19921 1062 10356 21001 15100 12166 16344 13887 135499 28681 30902 40863 8893 15969 28398 103792 52967 3055 4619 59969 9211 37883 14749 5867 2160 39982 7802 42862 57441 7675 1897 14984 1132 24041 19689 6756 12869 572 21473 9576 63558 59067 250 1652 315 18353 35794 12888 593 19507 14259 47204 10985 11818 246 9323 18129 68520 lactic acid 121805 81127 603460 140791 699230 85289 52901 1430020 74273 118375 554560 527300 109674 81035 102565 86015 701140 75414 91765 121656 75057 157369 711830 94250 484490 272029 29315 2945500 1699160 1894550 1374020 1009 2048320 3588770 1743940 1935580 95135 1637300 10308 207032 197829 18917 201239 248723 417579 302084 208528 237833 7347 125032 101823 78790 65099 57476 72178 101532 111085 6161 88947 57721 97196 94156 94677 40420 13484 74540 82056 111597 145351 90552 69563 63754 9266 144825 166105 51896 107063 8256 124030 159771 166532 166764 6079 6204 9308 187222 177322 188718 14604 122096 106309 109351 225920 173561 6052 146265 119717 56640 isothreonic acid 482 305 11350 808 3770 360 578 5450 505 540 5680 9560 547 519 868 544 6610 588 557 612 466 627 9910 562 2644 1507 1145 10040 9140 17700 5540 33 6440 10480 6800 7250 317 10810 39 3388 882 96 2251 1443 1818 1197 728 1056 680 1232 645 974 292 575 1517 1218 963 69 800 951 1164 944 799 323 82 898 915 1474 656 1091 367 911 88 3079 3216 2310 1449 189 3688 2107 2910 3234 86 103 193 3323 2663 3365 214 2583 3012 3818 3260 2334 105 4100 4199 2060 isomaltose 8261 2799 186800 12872 176370 5701 17241 185290 18384 17439 129020 178360 19522 21622 31809 21773 185590 10686 17746 7585 19565 28472 209800 26103 7801 69592 18498 347950 127130 380950 195110 23 285140 360160 128330 147760 2400 267060 3011 67131 29108 4208 96979 52700 36125 73128 31784 39498 160 37138 31702 26517 18380 21279 22964 29434 39318 2368 26924 25124 23382 30951 36631 12965 1103 36410 23740 33402 26967 30445 4297 38430 1569 46919 65879 31134 32771 2921 30788 64597 70463 67812 1699 1999 2490 63461 79059 50567 3870 50054 59930 57684 23513 53943 1330 33553 55429 300 isoleucine 78528 70078 841090 86677 710880 62104 149865 729730 67004 78458 828920 918320 94108 108759 100762 94726 683160 79136 74908 105433 89608 85654 868420 70631 303761 212696 102673 1139200 1263230 1396000 863530 944 1137010 1263720 885740 922450 94203 1129110 11473 271334 161785 17003 260932 199061 267615 202202 156364 149022 758584 110691 64353 112819 40842 80514 149128 100582 81426 7676 74848 124536 128066 97541 98766 37680 9201 105537 131157 160475 130085 108584 48654 115741 11976 246369 200115 136338 115150 15228 339477 213790 176715 245366 8168 13167 16150 226142 204993 253265 17541 195082 268285 267364 345546 219528 7952 285295 332565 1687560 isohexonic acid 1202 148 7580 3684 14350 2334 3577 28440 5610 5991 13560 12020 7681 7965 7058 5847 10120 4795 2556 8892 6410 2749 6630 7961 12857 5815 1037 39110 47920 27000 28340 4 43230 40740 37320 43890 1982 45680 171 4057 7575 67 7434 5878 6498 6809 7236 6835 111 2873 4495 2471 1619 402 2491 4482 5206 254 2909 2937 3369 5306 6717 1776 312 5993 3981 3807 5026 5344 884 4669 193 3474 3226 1788 2703 218 4343 819 5391 3764 99 173 210 5537 3415 6523 307 5960 3425 5080 5987 8725 93 3069 5748 300 inulotriose 6087 3732 2316230 1045 731250 3186 4040 101430 4668 3455 992520 1272390 3751 34692 4932 2355 496470 2845 2383 621 18301 23708 826560 3561 4611 15528 270077 129430 103410 888080 137500 52 206840 193400 103680 200920 703 157300 694 178257 8309 10331 13104 8783 2319 15860 5959 12034 525 6685 2179 3933 2675 1789 14388 12299 7239 547 3853 11259 3248 3197 5105 2101 4681 1240 30078 34230 3163 14037 2344 6490 2418 375785 350731 327997 47926 5967 569350 282208 287920 291430 1979 8548 5178 281973 63555 92646 10233 110256 484207 312216 21588 56818 3915 82087 639766 1010 inositol-4-monophosphate 400 470 2800 219 2730 435 102 1700 284 126 3490 2450 327 229 438 320 2490 180 243 270 373 222 1900 236 178 198 169 1000 1300 4570 3740 21 2440 1610 2240 1980 92 1720 56 588 153 85 524 218 340 217 125 153 166 337 374 319 147 205 580 147 758 75 115 310 148 236 337 148 39 452 346 311 346 222 69 286 39 261 344 128 150 82 381 490 375 360 33 37 59 475 406 195 12 439 600 425 292 267 34 357 429 590 inosine 5'-monophosphate 33755 25650 15520 18019 25460 23634 27582 22840 43663 31370 20450 18330 41663 38307 34963 34589 23600 21001 24765 19651 34641 29831 27430 25791 5801 9074 3807 24750 22790 49540 19860 35 32830 29860 28280 34010 575 27380 6971 11257 8853 4861 9317 6529 3843 7082 9579 9186 487 40903 37259 25545 23496 22423 35407 32264 36086 4997 26906 29505 27293 39260 41672 15516 3217 38686 25041 33919 26339 33983 7103 40829 3050 6632 7747 4084 5230 359 6462 8046 9174 7895 38 223 104 5523 10106 7241 450 9212 5749 10571 3088 9784 108 5625 12224 1070 inosine 7136 3552 396130 6747 394710 4240 22416 379550 11767 7274 370990 353970 14169 13868 24382 12294 390980 7500 11271 10970 14386 7618 375070 15848 109622 113756 40055 605300 604790 560210 459800 23 797930 785080 608040 705830 23288 816390 1218 101167 129731 1031 128867 107182 79364 111969 139049 136632 374 23362 18673 16194 5677 14776 19193 26952 25448 1780 8898 26784 13908 20322 31881 11084 737 26187 11435 42629 27466 29736 2561 20159 1165 86891 128791 75659 59672 8002 104398 124291 149815 133208 2555 6510 5828 138777 153916 117517 7480 129754 114976 125901 101075 142836 2755 113760 107091 990 hypoxanthine 846 90 298420 1122 186640 170 3940 176410 2404 800 242870 265230 1414 696 3979 2731 263880 1538 8384 564 981 2673 309000 135 13994 42730 33468 297710 94870 513850 185280 39 220490 331400 68440 50870 16527 237420 387 111490 10763 495 111510 46787 114238 57718 12635 9504 1908 8470 708 7977 432 2160 7870 4491 1811 268 1812 8834 5079 4264 1766 652 205 6556 4230 12043 2999 6670 1040 9077 411 70573 62838 39802 24733 2027 81745 84815 66595 93361 1653 2035 1917 79082 63086 82279 4492 73383 59394 91759 77988 49692 1378 74286 88414 5150 hydroxylamine 46377 16712 55300 65481 68980 44097 83945 77610 37960 21501 65840 60210 41075 32955 46253 48338 46750 49926 50176 46362 41060 36349 63390 71913 72170 25851 52584 44320 59450 42390 65800 207739 29160 37340 48450 44730 76853 32960 40333 42661 23470 77665 51798 41018 88506 65980 22813 33189 118993 50396 38795 44973 57035 63913 45961 66771 48964 80155 43640 70262 59784 28836 35203 39202 74543 44596 50715 42235 23691 38613 68220 33733 109139 45538 61099 92066 49803 104234 43700 57113 50306 50210 143718 99545 130704 46978 25309 69621 137273 51077 59275 48281 82896 25855 139548 52569 27298 135870 hydroxycarbamate NIST 2735 2756 2780 5378 4510 7889 7797 2650 8617 4827 3590 2870 7720 4265 6719 4488 4490 3871 9932 4850 5801 3366 5520 3940 5686 4266 5007 2090 2830 2830 4350 2382 1310 870 1530 2420 9225 640 6217 7985 3432 6741 7424 3849 6619 7675 2677 4021 7376 5698 3515 6251 9629 6152 9919 7851 6196 4525 5118 6945 8530 8425 5388 3965 5864 5615 4275 5206 4243 3337 6896 4654 6399 8171 10901 7242 4570 10379 10768 7662 8277 7831 9078 9412 9992 4554 4979 8051 6897 5795 11680 7216 6301 5442 4182 8247 4233 2420 homoserine 1317 1610 9950 1341 6920 1129 1251 5340 1046 958 6530 640 876 968 1301 738 3420 1071 626 1702 1246 1388 7000 1080 3107 1787 1035 8390 11050 12110 7200 42 8540 9300 5330 7810 528 7110 117 2480 688 163 1560 1226 1670 1484 1141 812 2265 2646 1567 2717 500 1238 2898 1396 1476 96 1883 1225 1461 1370 947 441 85 1295 2004 2052 1055 1347 954 2410 159 2948 1976 1502 804 82 3438 1825 2057 2174 51 61 95 2493 1507 1992 170 1505 2534 2662 2595 1708 71 3117 3928 4560 histidine 199394 125018 281600 164051 505170 253661 76242 378400 163797 235075 501250 412390 158149 167764 202110 54915 600210 126010 48535 205684 267800 207414 633640 151553 309376 118773 66781 1385690 1271250 1046800 551540 74 626230 1310920 678170 980840 31489 904840 33033 323947 90901 17730 201257 241580 310078 252147 85532 129536 45565 213878 154832 180275 46351 125318 217179 164409 124464 16366 163237 125677 127843 175699 170223 33070 25597 221641 155442 260181 132385 149783 67109 250583 17005 270858 87343 82562 98703 18566 141372 82175 191452 236043 10460 15631 15884 201626 125183 62650 20959 124158 53630 228348 260615 100011 7776 238074 138241 57030 hexuronic acid 32278 40248 111030 58107 127000 43542 29182 94580 61089 61101 84650 127480 63236 52402 59113 47251 86220 48650 32743 81452 75907 67901 108050 66931 32356 25261 12337 153280 174950 283900 139460 74 157730 163000 138560 207850 8725 157940 6558 19315 26714 6987 30625 31893 24138 35684 24600 40467 1244 81958 67643 68567 34858 42572 55267 55352 74409 8837 56989 41928 40472 49847 51736 19316 10946 60263 37271 71005 46785 63572 35249 59634 8593 20266 26293 26883 26543 3200 20980 23495 26563 21927 1514 2298 1586 29175 24716 24150 2667 8813 23113 19457 41612 22647 1155 26737 22557 2370 hexose-6-phosphate 4946 15101 420 392 5020 9731 1999 3750 5112 2444 2990 4470 367 4734 2560 1364 4900 8592 420 4032 2856 196 690 3795 6476 4294 331 22070 14530 7130 2670 43 7430 9780 7460 15110 659 9590 524 1152 2997 40 1027 2185 611 1944 3221 4228 16 749 979 138 230 296 290 1337 2098 164 233 584 366 892 2337 231 28 589 365 947 690 1345 54 514 39 754 1545 70 251 63 890 1148 1811 907 31 65 19 618 1659 820 16 600 1015 1052 439 2620 34 372 1067 370 hexadecane 16973 1840 44160 2613 43130 4778 8919 50880 3195 3252 43940 49400 9414 5879 1941 3903 45850 14844 5655 9714 11654 1939 42590 3971 33166 16584 3039 56270 99560 51110 56910 1438 87520 63240 81640 92450 4110 88070 1152 16124 3393 1489 16426 4690 5187 4904 3480 17011 30593 6051 2980 3727 2649 3494 4611 6586 6626 1674 2307 10258 3236 3571 4952 1654 2919 3837 3234 4399 3208 3818 5508 3928 2002 2475 7031 4419 3358 5287 3787 3088 5491 6254 6903 2551 5655 5096 4476 7581 2793 16744 4282 3039 19090 18321 2428 7083 3412 5710 guanosine 1778 1197 8790 562 7090 973 3733 11660 2332 1569 6670 6470 2666 2522 3107 2320 6550 2027 987 1419 2163 44 7660 2683 3335 4370 1115 16720 23870 9710 12850 16 20940 18100 20450 23080 425 17480 337 148 4364 119 3898 2701 1048 2900 4245 4432 931 3007 2383 2166 718 1877 2711 3312 3070 286 1085 3213 1607 97 3933 1173 319 2404 1233 5016 85 3587 284 2419 302 2726 3025 4198 2653 355 3292 2968 3090 3125 174 369 297 3142 3425 2931 408 3808 3081 3412 1849 4475 86 3490 3287 1420 glycolic acid 739 742 16370 3183 13780 541 1356 7570 1483 1756 12150 7980 2428 1937 2655 1382 9260 716 2385 1786 1645 3480 9120 1671 1579 1932 977 15050 5800 13280 6550 885 7070 12080 8580 9980 403 13010 250 2355 1025 779 1909 1331 1991 1212 1162 1120 1844 3192 2376 1981 1778 2293 3432 3878 3249 426 2381 3226 4072 2787 3193 1404 357 3986 3668 4844 3578 3504 1890 2559 710 2590 1798 810 791 496 1630 2295 1223 164 1009 879 405 1899 2236 2450 627 1549 2303 2422 2028 2062 281 2716 2430 12220 glycine 258183 514179 766380 293307 588300 290933 138229 765290 212688 326215 592490 690360 223689 232539 293555 193687 765280 231138 151619 310993 240042 483212 712840 143460 525304 492000 117717 1219960 1284170 1203280 790720 19978 1328830 1459510 1016700 1085380 96329 1247270 33371 366674 453289 39065 323614 337537 342325 257407 424419 411922 113971 361483 285200 404572 108589 170756 356296 228177 304654 21972 362651 224154 250583 359098 246372 124176 26541 304982 312723 346605 394062 412096 145180 303836 29709 311172 235134 135392 128204 22621 315362 258527 249033 300170 20780 18553 22740 312495 442309 312370 26430 282068 224436 269697 355860 498588 19122 314674 486055 205810 glycerol-alpha-phosphate 30234 59994 411580 6517 386220 92929 30529 242180 27149 20423 372160 404960 21050 26602 17168 15253 356460 35361 16643 14491 10968 5271 333270 6507 54455 55098 43319 360840 313260 692080 375770 79 554570 466080 283010 274080 16662 378430 3537 112990 44869 1945 208296 77131 91192 86263 49251 45614 15870 14167 7470 17111 4717 11426 27557 15949 11498 1117 6655 16477 16194 11045 14424 4324 1288 14447 12321 34058 14614 15233 3357 13665 1969 70292 154617 92424 149884 19466 131548 158514 130074 153149 7231 20290 15667 141517 156597 132667 20506 249130 145329 166441 98746 98406 7796 164059 156769 30430 glycerol-3-galactoside 7057 3886 142680 40231 70750 3694 28162 83550 9085 9885 111730 139390 11390 11000 31160 11367 86150 4403 25467 9038 10143 37342 116580 14916 29767 24411 13677 149230 115290 178520 93400 89 157320 128130 128500 110320 4843 157860 1747 38022 18112 5763 45931 20492 22331 22745 20366 15330 1280 48890 27797 51447 23776 34462 72095 42963 33357 2192 35783 46155 48373 36729 34051 14941 3115 42012 30802 71498 39645 41014 13208 45495 3444 37330 34245 21852 35849 3110 66076 38805 30203 38043 1916 1435 4028 36425 37786 35346 3262 31953 40671 53100 43373 31507 1421 11569 63582 2130 glycerol 146673 114983 1224640 474486 1297520 108644 226837 644500 182675 169643 1270340 1796160 198962 155455 307647 138404 1030740 159644 194124 211909 128125 364988 1419990 183689 373275 206644 214152 952220 1082990 2331190 1081110 916 1361190 1327040 1142090 1016620 66454 1354630 17529 369322 145437 89472 337226 166909 198502 189927 152223 167214 164928 461133 313660 443620 257994 348814 323389 411912 345648 39905 392457 406517 454160 259051 288930 164372 58961 247993 432445 494761 322746 386591 239366 317602 69538 389979 363800 489947 601490 66220 641001 438335 273422 340992 39623 77640 73532 334727 341133 434362 79484 564229 480682 429446 605952 327836 41703 651701 733546 371790 glyceric acid 5281 1606 59450 6019 15380 1096 20581 12620 4226 2782 50230 25380 7188 2748 10305 4436 15850 4453 6755 3426 3166 5546 17030 2882 4271 2605 7152 10510 49530 14830 24070 79 19210 16120 32420 11830 1663 16180 889 6170 3511 1042 12005 2521 2972 2353 2868 1404 4645 23274 4549 27441 2846 6352 20645 20635 9622 1488 7755 16358 12132 6745 10473 3758 864 8917 7381 46171 7347 13929 3649 10203 1128 20097 4312 15994 3291 528 24474 14705 4330 13929 260 1201 263 7413 5484 9187 610 6973 7417 29555 15911 8379 309 9647 12693 7240 glutaric acid 166 96 630 186 390 97 385 660 112 200 1060 810 217 138 222 240 370 221 171 187 109 229 900 157 114 96 87 710 1060 560 460 37 720 480 560 580 74 520 32 183 120 51 161 89 90 68 135 80 117 300 155 297 148 185 527 378 182 62 270 292 309 246 223 111 32 239 301 426 175 281 27 240 96 196 77 122 54 76 424 188 76 185 37 39 41 144 102 192 20 96 120 177 197 133 62 157 203 550 glutamine 3660 2080 105710 864 109230 2719 2955 100290 1674 1335 121420 162960 2025 1662 2827 1600 137310 1496 1401 2770 4379 1526 151870 2601 75786 17810 11137 209860 492600 104810 136790 463 153950 160580 319170 366260 9118 222240 696 31845 32869 341 25377 34998 12364 16340 26512 25951 12152 1837 1404 1571 562 1196 1467 2935 1947 450 872 2095 1648 2418 2726 803 362 3305 1959 6652 2984 2600 433 2191 330 69156 12497 15209 4130 2278 62513 12742 21190 53058 1023 2620 3105 29606 15509 19502 1298 17812 25488 44247 63957 36051 812 37997 30979 18040 glutamic acid 231994 389263 619150 19470 600200 359477 119998 710260 105135 65723 615630 717640 113219 114069 112761 51695 658990 214010 39138 173547 152158 29837 611890 68059 473018 237115 73758 819770 1375590 773850 797600 95 1265220 971200 1121160 1275000 68774 1252390 8764 214174 213305 2063 240680 257118 157522 189824 213113 237895 439936 59354 42621 54507 10499 49170 80106 53450 39147 4082 24359 50037 56009 54765 54285 22329 2475 68688 59093 81118 47776 82992 14879 58220 5603 275566 198578 141032 75144 8808 366334 203888 265044 269739 3663 8706 7817 263515 202563 244855 9054 245600 183540 224900 266490 260589 2938 255810 295826 650080 glucose-6-phosphate 10423 36665 350 1023 5490 22323 4643 11070 2381 6652 3270 11510 5113 11529 6874 618 840 20897 1231 11189 7536 293 10690 10109 15340 11527 176 59780 28440 20550 1220 48 17090 25420 9420 24840 1988 20440 1293 3573 7551 33 3352 5179 3189 6254 7401 1662 142 735 366 45 142 300 131 504 1427 106 141 294 160 362 6448 124 65 375 175 2682 657 457 29 933 28 330 4287 698 920 33 2787 2952 4958 2671 62 21 21 922 4907 3202 40 2250 2377 3574 3244 5180 7 1079 504 540 glucose 948383 1056503 12863510 1139883 9759520 857806 984309 14336630 1084080 830918 9719700 10310410 1085252 1126523 1235310 1076807 10245310 1106594 764116 1219043 911534 933408 10169680 1182202 1408887 1273231 1080566 16027140 15435960 14559760 15556590 256 14799840 14057590 15290480 15506760 1086515 15162040 154612 967829 1443599 210294 1454591 1118278 1350397 1099356 882678 1566611 393311 1161642 1164419 962037 879421 924197 1015179 1072788 1271009 99887 1143807 1110961 1042001 927015 1214509 782364 93264 837789 1092163 1077083 1005050 1167787 710345 1053130 79646 886990 1058080 837067 1376618 335796 1242555 1273779 922317 957249 140946 185842 247719 1235474 1385285 1221641 360455 1287130 837513 963703 1666273 1493986 106246 1261362 968551 555390 gluconic acid lactone 1021 1403 38740 1380 19890 1326 1421 19520 1663 1606 15250 36140 1491 1524 1799 1593 23750 1605 1567 1993 1466 1307 21470 1840 15921 10569 7515 34510 61730 30690 34420 39 52980 60880 52650 60280 1095 54660 167 10839 9904 198 10295 7712 5435 8502 8752 9827 553 1865 1314 1707 937 1234 2918 2456 2417 325 1814 1230 4816 1561 1887 882 250 2146 2001 3109 1409 2151 1073 2626 388 21109 28408 20257 17659 1666 28279 22439 17533 19264 745 1068 1443 19438 18035 18248 1839 20721 29843 24008 14524 20780 945 25796 27415 650 gluconic acid 2794 2962 437580 5796 132520 2695 3855 65120 4195 5375 118410 205210 4377 3258 5692 4903 170190 3483 6881 5555 5433 7385 171480 4360 32496 18734 26767 142450 151880 168170 112900 30 195230 186170 129220 148140 3601 177900 444 48412 15373 460 29451 18107 21054 17597 16274 19922 1149 8990 264 12789 3824 4341 17892 7892 6868 1262 6403 5664 19304 9597 7979 2898 1440 12219 6587 15597 8509 7993 3927 11931 1130 50504 36005 49532 29491 2340 112145 59691 31444 64375 1226 1981 2516 43936 47015 31736 3352 69013 61473 69337 56329 34615 2629 65548 139262 2400 glucoheptulose 537 1195 15020 449 17140 888 674 20320 368 381 11700 24440 568 737 734 537 17080 473 364 309 377 501 18770 450 4045 1458 878 56200 32140 15470 3640 31 25900 54690 26690 30060 300 23060 68 4757 2290 55 4498 3175 2935 3146 2510 3272 967 1695 552 1216 83 333 3263 1754 1443 37 1439 1628 2569 1200 1507 494 23 1376 1367 2803 1358 1402 132 1854 50 8836 7065 4039 4319 73 9887 6994 10710 10500 101 68 73 7795 9380 6637 221 9157 7758 10065 8219 9159 17 9267 2963 2150 galactinol 635 186 50610 811 5120 288 865 18020 774 935 30660 49940 900 1160 1096 365 37110 419 924 446 1086 1800 60520 155 1709 10783 6346 53870 19370 134430 38030 37 34240 38540 13260 16360 806 45570 192 2128 4178 230 13459 4328 4701 7137 3958 3805 423 1021 1506 1287 1023 966 1326 1175 1443 109 525 851 1124 1676 1659 454 110 2244 1230 1949 1389 1076 343 1917 58 13240 24905 9014 13349 733 8760 9733 4758 14273 410 381 556 14958 20961 11279 724 11595 21454 17550 5603 12028 314 9800 17262 640 fumaric acid 6841 10554 12500 1528 31770 13857 5073 13980 2708 2751 16350 20510 4382 3713 2785 2246 28940 8741 1637 3431 2640 1861 15370 2383 23809 11268 4426 34980 61860 26670 23620 36 35380 24290 45410 40670 7511 23500 460 5359 18221 539 5054 8867 11051 10481 10884 10426 1691 2687 2005 2081 924 5027 2399 2667 1861 245 472 2523 1725 1570 1600 1338 346 2541 2810 2178 1412 2353 1119 983 374 6454 15638 8363 7925 2495 6013 6358 15995 9494 694 1428 1119 9210 13068 15498 1892 19437 10136 5665 9610 11920 584 10603 5749 3350 fructose-6-phosphate 9777 19263 990 675 6090 19907 3737 12610 9586 3083 4190 6140 3561 8881 4631 2506 8920 13972 865 6981 4214 544 6070 6067 10128 8277 554 37450 19890 11870 5160 43 15730 12070 9380 22700 1329 16240 717 1945 4619 89 1940 3695 1346 4000 4883 6392 33 1309 1565 326 413 1114 737 2155 1513 160 517 1146 716 1385 3963 559 41 1379 991 1680 1114 2392 207 1000 41 1137 2748 220 354 106 1497 1492 2950 1668 24 31 21 1043 2862 1553 11 1031 1228 2018 1250 4788 31 722 2045 210 fructose 50395 53141 9843040 68922 7247650 38726 44986 646290 49298 38920 5147420 9740910 49804 144137 81493 22750 2999290 40847 68700 69447 104078 194887 7397090 71309 411319 448611 1057312 1586780 2815760 9075370 1836140 57 1081770 1151270 970700 1988290 75873 2002140 8658 1046883 235833 44171 388963 128244 246344 178152 261776 185963 181403 91326 50567 87819 41033 56677 207819 120381 71128 5911 80707 125206 96010 62331 82747 30675 21385 64708 262931 371200 63124 166518 56235 101260 9927 874984 1201747 780459 951193 158183 938520 1120734 916126 994105 80343 83889 179866 958173 951664 955231 170334 996537 803202 1192200 1218920 1051370 66568 993142 1297124 185260 ethanolamine 631227 370814 4119120 493397 2814940 347026 540136 3237670 644448 607853 3411570 3496290 838274 332921 599875 425182 3068570 817541 595376 765192 522911 389344 3702170 491205 1594252 748454 484067 4240240 5378600 5316500 5396610 193 7574760 8046750 5350920 5760180 366647 5834960 40186 927966 576078 106016 1423103 850321 1157134 918627 570448 699739 19932 1043445 744336 979776 781531 724432 977848 944202 946732 260172 849792 952525 932076 666577 789216 558857 345436 798556 889371 939307 597638 842347 820415 763075 341595 979874 1119261 1090275 1174210 150004 1154100 1201100 1126895 1220321 99106 149563 151694 1156271 827797 1340143 179808 1670805 1148294 1188285 1545040 965560 96158 1723054 1019181 44700 erythritol 1244 797 30960 1762 20160 939 1489 15080 1484 487 21390 35630 467 1224 1422 1393 22940 1024 1179 1276 1064 1168 25600 956 9516 4673 3984 30430 23410 47090 15080 41 27380 33170 18070 22020 2098 26530 176 9060 3386 393 5860 4020 5672 4506 3327 604 3618 3134 1775 2428 391 1388 4872 2697 2287 191 2023 2369 2979 2233 1738 906 193 1702 2068 3404 1508 2395 926 1990 315 10337 9763 6915 4062 447 14435 8204 8415 8367 286 347 533 9747 7744 10108 572 8384 7418 7992 9941 2007 252 9496 13483 7580 ergosterol 16006 21351 8580 3295 8550 14016 13191 12470 19440 12652 1440 6110 19784 17059 18706 14153 11670 16458 8260 4002 14774 12945 8650 8902 568 2330 1137 14160 8520 11850 16880 38 18810 15410 12240 18090 130 14620 2275 1996 1633 1639 5607 2159 630 842 1295 1602 85 20255 16274 17376 6391 10884 17336 15058 21657 1589 12378 13752 11470 16212 16476 7783 1477 20136 13298 14473 14864 17564 1510 16863 920 2443 2315 1328 1446 91 898 3291 2719 3010 171 301 190 2942 1835 1835 285 4011 2000 3065 534 3088 171 1416 2360 270 enolpyruvate NIST 1162 520 4890 820 1820 1027 1020 6330 978 2071 28190 1530 1400 2153 720 456 4210 521 265 716 1651 181 14690 795 313 174 95 2150 5090 2400 26660 52 2340 2980 7670 3840 313 2020 108 222 359 63 158 156 227 142 159 176 44 256 622 486 187 407 367 1890 1011 113 237 1283 433 816 556 174 91 1131 444 1069 1315 322 151 450 66 229 170 167 127 89 269 158 156 287 30 50 63 187 175 317 38 303 151 270 359 113 74 124 165 680 dehydroascorbic acid 24905 37529 8680 4502 5640 50565 7882 3340 27066 24531 5540 7570 11450 17514 9948 11483 4770 24402 2153 24433 14433 6478 4980 535 1433 850 618 4670 5400 14680 3800 28 7410 5780 4510 4360 214 6540 2411 1961 577 422 2156 596 1180 611 492 354 147 6827 5956 9135 3074 7153 8723 4196 4642 388 4708 4204 869 2565 2391 1380 426 2823 2564 1204 2399 1841 4415 3453 403 686 1356 1291 983 88 2812 1804 1421 1687 44 37 65 1677 1358 892 69 2707 1534 2508 1792 386 42 2617 2676 340 cytidine-5-monophosphate 6807 13508 63820 2391 52120 11027 7186 29130 8595 6848 31410 55030 12720 10613 9779 8986 26730 10557 3216 4237 8328 7061 53260 6353 4545 8967 2553 35130 31080 92630 30350 63 61070 37970 35600 38200 1355 35230 798 4874 8158 655 10232 5086 4545 7424 4976 7684 2702 10010 9453 9895 2617 6013 9470 9181 12312 317 7283 7734 7297 9432 8822 3116 519 11014 7531 10131 7964 6396 959 7846 299 11730 7653 3051 3610 1004 12215 8783 8580 5859 538 468 900 9329 6786 6931 932 8346 6670 7601 6472 9413 408 10773 7062 3320 cysteine-glycine 728 631 940 140 1400 553 240 490 407 518 2000 2040 387 554 1156 123 1960 276 199 710 1517 314 2510 1023 537 363 117 1460 2580 1970 1470 47 1660 1750 1460 2590 34 2110 70 792 515 34 1191 520 651 803 437 408 428 857 737 296 117 286 433 938 389 72 133 430 185 1144 1527 99 68 1422 286 1808 1029 1315 40 1140 72 575 581 249 304 119 1354 459 513 754 65 45 38 467 627 322 24 670 566 1228 766 890 41 802 1023 770 cysteine 66098 82367 129080 92413 131440 75251 46851 173890 75447 82451 109180 168100 86469 75960 107233 73892 151110 93037 35270 112608 75610 62117 165650 94886 161564 66615 19387 289150 309090 281080 177070 42 286990 331430 249810 348480 22000 284830 8626 51976 73750 8851 68917 57669 77967 58590 59668 76710 1896 92831 102954 66756 36971 71157 106366 103909 108519 8118 86433 79642 97566 81675 96521 35608 5936 84668 104506 91672 51397 100463 43519 119453 6339 49184 60532 24477 22410 1910 50570 53356 50083 46307 707 1132 1209 56187 52668 63053 1864 47720 38897 42494 58299 57528 522 49794 47956 3300 citrulline 17769 11741 92390 21650 84300 17898 15312 71870 12502 17972 82930 67430 18027 14770 18876 8994 70470 15561 10922 42232 13761 10630 62770 17050 33640 13348 5564 87160 102650 67840 75500 75 94830 106470 82600 112900 12107 107840 2479 21004 8554 2325 18594 12101 17039 10117 8569 4496 10911 18579 12590 22404 7306 10699 25173 19969 21410 2993 13841 15672 20660 15636 21792 7437 2828 27806 23085 27025 15895 20786 20704 25783 2852 20890 12464 9738 9315 2502 14295 11938 18722 22648 2249 1513 3310 10291 13619 17094 2177 14599 14048 20184 31255 12261 964 29917 16837 36870 citric acid 21485 36705 50620 4001 71150 41856 8061 100530 6833 9567 57760 63760 8728 6545 6682 4643 84340 14701 4429 10853 6908 3719 35360 3964 102612 23267 5347 150800 294630 105230 64950 25 108940 119710 259360 303860 11462 155920 714 22940 44293 535 10407 20509 14949 13628 29394 40639 13800 7959 4724 5264 2155 3581 9440 5788 5173 789 4321 3960 6742 2949 4997 2668 869 4452 6056 6502 2971 7524 1789 4829 935 19964 18139 6414 8996 1540 22145 17324 27161 15592 578 888 1067 25381 20808 18193 1184 20600 15306 11829 13387 17073 445 8904 19750 26700 cholic acid 311 602 730 110 1100 392 180 960 365 350 630 390 334 292 457 287 1290 407 139 115 369 395 820 235 49 204 88 510 760 610 440 69 1010 1330 310 1070 79 930 158 119 191 63 120 329 43 139 82 126 125 406 354 423 149 286 335 261 475 64 307 176 313 358 378 219 63 479 301 140 366 357 53 389 68 129 133 37 82 29 88 97 104 205 29 65 55 330 132 188 31 125 157 421 41 314 33 56 34 560 cellobiose 408 351 50940 540 32080 276 731 26030 392 569 5200 31500 682 733 543 352 5170 401 466 229 589 629 37500 514 1081 3542 5253 63560 57820 72610 45500 47 96830 97710 50920 38010 341 74160 86 14350 1230 124 3843 1324 1371 1671 1659 1035 90183 794 563 1098 352 371 1284 1778 925 0 456 1109 664 691 667 221 59 709 726 1333 1038 583 153 610 47 10005 14011 8737 5744 649 13322 6700 950 10628 370 331 583 8165 5842 6119 514 5768 23566 12291 3243 7003 211 8165 21251 52930 capric acid 522 1379 36610 1764 20180 199 1048 2550 768 702 12920 67710 991 991 1306 535 7400 767 739 1092 599 2181 11730 623 818 855 246 2820 2630 69790 7450 811 3010 3880 7980 9060 303 570 789 3070 758 192 358 302 528 309 1010 592 724 4436 2037 3466 849 1463 6378 2398 2093 248 3078 997 3968 1624 749 501 472 1945 3718 2037 1319 2210 1451 2689 311 2178 751 2300 1924 666 5186 1580 708 863 604 575 940 1898 1061 1753 654 1693 1539 3838 1314 1314 248 3002 3263 4300 butyrolactam NIST 11159 12728 14720 10550 7900 10408 6918 11070 8769 10615 11130 14010 10177 8727 9933 6907 12290 9201 7202 15288 10825 9885 13000 6354 4532 4621 1988 14370 17220 13740 12290 92 18720 13970 12770 14640 1901 17160 1479 5088 3190 1701 5388 5484 5935 3766 3124 2976 1625 13698 9077 14274 4612 6701 12938 9459 12817 1036 6574 8835 10625 10478 8989 4734 1490 2186 11816 11595 9811 10687 5995 8974 1241 5214 3943 3064 2097 462 5621 4458 4690 5224 312 362 383 4260 4540 7733 418 4036 3973 5031 5668 5084 302 6053 5290 3580 beta-sitosterol 27577 32316 33580 8185 27920 26236 23266 33840 30514 24132 27080 20410 29569 26950 20990 24877 20430 30888 14750 6965 24373 30300 28000 23398 1355 6703 3999 44710 29500 47020 28310 39 44950 43110 41190 50550 1903 47410 4731 5386 4034 4613 9121 5616 1679 5268 4260 3605 2528 41826 26671 32989 16384 19496 41368 30258 39044 5592 27929 27675 26842 30298 30603 16217 5543 35693 27989 31835 30832 30368 2615 34582 4304 9598 6352 6018 5219 1674 5382 11147 9156 8003 686 858 773 10652 5930 6848 1611 11663 7213 11859 1950 5568 738 4143 13158 3580 beta-glycerolphosphate 860 366 860 569 3350 545 287 3880 883 551 3710 4000 359 714 491 185 4280 260 407 361 1073 457 4840 235 863 458 470 7380 5090 5420 4670 52 2490 7480 3460 2380 383 6570 162 1793 412 244 1484 806 1058 1145 444 462 180 482 528 514 536 448 1219 550 413 144 430 436 573 733 702 118 256 601 597 841 282 379 294 510 181 1618 1021 1005 1027 154 542 745 1229 1393 69 229 99 1249 592 1211 206 742 901 1530 1341 847 185 1846 918 1240 beta-alanine 292730 209698 8682560 230582 7150560 214009 530980 8706250 168639 162476 6503060 7759470 238924 108214 229116 102492 6723110 148300 318711 271699 255685 129462 8057430 100674 2249621 1843437 820316 11088090 10316170 8757880 9229150 191 11637600 10122740 9242740 10417630 817725 10339600 19375 1768620 1607043 38402 1707445 1656081 579807 1279295 1465225 1687089 1087 449878 198962 344600 112056 199684 366660 306515 253682 21440 230846 326510 287801 159487 141599 92334 20342 160526 252891 308737 125127 181959 94035 172294 25718 1530577 1435245 846211 789234 123651 1580588 1677408 1331440 1746517 66706 87687 106255 1464859 1735912 1664851 143615 1485347 1407651 1535110 1613241 1911212 58183 1638675 1726188 6300 benzoic acid 5499 5445 15620 6385 14290 5763 6385 13910 5619 5565 14780 17140 5438 5558 5584 2399 8320 6255 6138 6190 5935 5827 14990 6238 7507 6721 5688 18190 15520 20150 11080 6292 21650 20470 16620 13950 6796 14500 4982 6805 7237 5087 6060 5734 6925 5991 6605 7347 5983 5851 5246 5741 8830 6310 5996 5735 5740 5653 5827 5509 6322 5482 5935 4958 6050 5916 6864 5874 5639 5173 6939 6006 6083 6647 6120 5849 5560 5637 6668 6486 5128 6153 5822 6101 6234 6794 7367 7594 6561 6789 6523 6383 7371 6844 5752 6019 6559 3710 aspartic acid 12107 26314 66430 2921 31950 11807 5954 43650 7066 7676 45810 52520 9733 7394 3436 1915 35770 18114 5388 15726 11243 4411 46120 6313 62534 25635 7303 85860 188260 81280 109040 68 135150 137760 136740 174920 5278 144390 521 15587 26755 490 23085 26991 941 18273 19458 24734 294149 8869 5305 10686 2833 6389 16666 8429 6239 1060 5743 7958 11748 6147 7282 3913 1442 7417 12118 13511 10037 11090 5130 10806 2325 31092 23259 39056 28867 2931 43897 22611 24864 31508 1206 1941 2201 33155 19724 28607 2701 49607 25585 32433 31278 31010 896 67412 34740 527360 asparagine 12802 32609 102060 2791 92640 35129 3860 102600 5808 5751 110170 156530 2971 11048 10512 3340 93380 18335 5306 8891 10516 3140 119920 6222 42110 27038 14944 126880 79890 183640 100900 108 186870 154140 142290 168540 9386 185800 624 33331 26221 405 31612 30319 21491 20127 24966 24080 59362 7597 5407 7117 977 5332 7485 8855 5762 185 2640 3545 9559 4043 6902 1902 126 8209 8792 14481 8581 9816 1031 7253 206 34304 15399 13677 2785 736 45239 25843 14818 13158 241 581 725 49714 16469 40869 663 29528 33459 41652 33270 35579 286 23370 49313 82450 arachidic acid 6618 2829 28050 4753 2730 2535 6574 25450 3183 2905 19310 18640 5720 3899 6515 5487 22520 3401 15967 3279 3586 5729 19240 3370 5037 4866 2450 45690 25710 22140 21270 574 36620 12180 21520 26570 1911 29780 1366 5741 2730 1003 15013 4931 7426 4389 3279 3869 844 10786 5590 9793 3992 4304 14200 8644 7960 2344 6539 8092 7691 7355 7221 3681 1866 9170 6995 10390 6584 7882 2772 7676 3784 1582 2920 5030 4363 1849 5586 6241 5079 6116 1152 1469 1321 6404 4679 7210 1080 7478 4580 9255 4553 5044 589 8275 5823 650 aminomalonate 8906 9082 42870 14196 47780 22260 10317 30420 13748 15748 39640 50930 20305 11094 17764 10143 49610 10198 9761 14344 13937 8660 58520 8506 28433 15320 4649 35600 48610 64420 54240 35 63420 42310 42230 68210 6912 40330 1045 21557 9852 1082 27999 13386 17535 13718 8295 9607 3124 15655 9420 22869 7773 10170 33523 16748 19282 459 576 15386 26423 18435 14678 4853 945 17685 16859 16656 9325 14332 8412 16323 858 18391 18937 8821 5695 484 20819 15436 22944 25225 162 363 388 20342 12988 22676 463 13214 18348 20348 16778 15130 145 31563 14743 4130 alpha-ketoglutarate 30142 42694 80490 589 82430 29788 8799 57880 6797 1772 90820 78870 5867 9340 9247 2353 104840 29899 2884 20234 28883 606 93420 980 28029 30546 11353 21690 128240 46970 101620 15 114600 11260 84250 67450 13234 108410 1756 19754 23058 136 35627 26445 20435 12774 22374 16316 337 1984 1293 1073 258 2267 1189 2547 1408 117 442 2791 1229 2276 1829 1354 141 3887 1362 4320 2020 7690 335 2097 111 23099 25695 12375 3191 1405 34296 27081 24164 24172 320 1320 933 38442 27184 42185 842 35338 31595 37301 28466 36169 259 25254 25901 830 allantoic acid 60 33 16700 153 7100 54 186 2180 107 74 2270 2910 99 63 511 554 7220 226 239 129 104 164 6760 118 679 252 1509 1760 1070 1950 1170 17 2930 2180 1750 1730 92 1840 129 1200 330 52 373 202 879 237 233 491 50 501 124 511 53 607 569 434 144 23 333 155 420 552 775 286 110 510 311 1598 378 890 147 195 250 2045 406 829 201 329 3830 3630 872 1356 32 132 37 1043 2257 835 49 2020 241 5159 1311 3083 21 363 3292 420 alanine 4803068 5244139 31610300 2566652 26933190 3993806 5393536 31926840 4358179 3962613 28656020 25039530 5615701 1817077 3234232 1607509 29763930 2474973 4016889 5391751 4097171 3341903 29221830 1984029 6587174 2385812 2938494 41655220 36298440 38518890 33666010 5064 20240890 28617190 33151920 33730670 3010581 38384980 1544564 4957382 746909 2057128 2608162 4099102 3296039 2036412 3149931 3203755 1302544 2051271 5367557 3130085 2011864 4805318 3256296 2882874 2677740 1026532 5694789 4619216 3406668 1743674 2168830 4594924 1311566 3863883 2292887 4041113 3958579 4243122 2480497 4821774 1160946 2606857 2551877 3239701 3250983 501584 1075846 2457254 4433336 1872237 330560 394669 500240 707900 2542920 3458279 666423 2362360 4453587 1820672 1988000 4646268 268452 2273823 3759244 4714670 adipic acid 918 416 13090 863 8530 495 1768 2880 556 930 8830 12770 798 936 1354 660 6390 790 1459 717 532 916 6520 545 1092 401 1349 2480 3820 5310 3460 144 3920 2300 3390 2590 567 2830 289 2913 564 328 631 427 560 468 456 270 5367 2845 1201 2195 578 1190 3576 2569 946 344 2038 1969 2036 1331 1505 512 288 1403 912 2709 1066 1925 715 1275 618 3535 2178 2148 650 409 6866 2945 1488 2491 334 409 352 2886 1476 1493 372 1938 1701 3278 2369 1982 448 1488 5494 12100 adenosine-5-monophosphate 62317 47035 19830 9659 56060 50658 27938 49180 45528 45034 49090 108360 43295 46112 41675 20972 123610 29019 13148 14565 61416 24570 112520 25012 20334 32298 12704 138620 127510 164950 50710 44 127740 138040 72040 145270 3066 113930 6655 46732 30852 2837 35439 28152 11073 29252 32769 38045 57 45205 29225 22184 6999 17522 41753 32892 31523 3377 17397 21439 26541 44381 36611 5340 644 43210 24352 44850 26829 28310 3689 45382 2496 32623 17479 16577 15719 62 31836 17786 31931 33163 40 1414 49 20240 29093 20424 1953 33285 13729 48181 10987 41338 471 19517 45646 420 adenosine 3794 3952 113200 2251 36220 7081 4741 461240 5927 6447 47560 45090 7171 7787 5850 5050 50520 5206 537 4413 6273 4272 51690 5838 99411 131408 12020 609380 639840 89590 464090 41 702920 426260 588290 571210 16940 538050 630 20220 117455 817 84276 104942 22886 68755 56652 75116 2256 5418 4991 5088 2104 3108 6112 4373 6479 558 4941 4088 3741 3850 4073 2533 748 5012 4961 4442 4372 3742 1567 4909 694 38185 51582 78237 72345 5971 29298 35759 50905 58040 4849 5860 6297 64522 37317 30043 8633 65338 25212 51820 20787 102319 3617 69035 29465 35330 adenine 1297 800 49380 1087 35380 1026 1325 53350 1327 1658 40290 47820 1670 1333 1702 1209 34850 1043 1218 1838 1896 1595 39260 1104 18123 13545 4729 79890 69410 73440 46680 60 68550 102190 57400 59430 3892 75760 217 16440 11393 291 17021 12958 15376 13263 9354 9734 2285 2134 1020 2147 523 1178 1971 1759 1871 159 1446 1688 1208 1574 1511 697 234 1991 1741 2178 1253 1775 795 1992 1783 13291 14839 10309 9209 804 17652 13359 16042 16854 402 612 614 15817 13354 11775 908 15637 15402 13975 15600 14177 2545 20594 21040 4610 acetophenone NIST 663 477 1810 696 2050 619 504 1420 32128 456 1530 1320 752 508 485 593 1460 569 24977 690 453 30091 1860 474 41298 395 342 2460 1250 3120 1650 254 2480 2080 2150 2360 359 2840 297 29081 276 309 568 468 607 29122 447 362 428 592 607 613 754 608 2616 2643 3217 1593 1676 2712 3264 1740 2529 1691 2534 2078 2888 2426 1432 2400 2480 2017 1822 1615 1508 1775 1270 1103 1062 1385 1756 2212 901 866 1017 2086 1240 2192 1396 1456 1405 1777 2694 1275 1115 1366 1615 2130 4-hydroxyhippuric acid NIST 32 28 9170 101 3090 51 96 1820 224 58 2020 5170 157 77 407 215 1490 113 208 114 92 97 3560 59 533 181 878 1630 1810 1490 1020 44 3390 1450 970 470 246 2020 53 950 294 40 685 355 259 277 69 223 31 588 75 370 63 217 1315 256 68 22 234 221 245 199 222 107 27 251 73 495 340 284 56 211 80 1473 691 1634 101 39 5892 1766 1101 1691 66 19 43 1574 899 738 57 1153 697 2866 1205 1370 38 1231 5336 210 4-hydroxybutyric acid 214 226 2960 264 2850 225 264 5380 272 261 2260 4090 340 285 247 223 2960 229 266 296 311 209 4190 273 562 1673 429 10000 3130 7500 6030 95 8810 10820 2430 3180 662 5840 139 1299 387 143 1604 1274 2948 1891 573 588 329 261 267 203 162 217 222 231 294 98 199 248 235 267 275 102 136 197 326 253 257 196 172 339 142 1221 1167 586 698 129 569 1116 1230 1253 128 135 139 1301 1314 1250 157 581 630 802 1599 1083 158 1046 661 1150 4-hydroxybenzoate 7538 6156 157970 7212 97420 6380 8892 53360 701 5707 11190 159690 12711 18130 14925 9210 67180 9769 9186 18841 15885 25883 126330 7005 31977 20615 17820 116800 122430 177860 72950 26 71430 70580 59390 87330 6579 120260 1575 39186 14071 4791 31451 22917 23483 15027 15015 13113 391 28110 14206 30213 3147 8086 72539 26830 9637 1039 24223 26058 24112 11386 9536 4189 2675 14088 36219 46813 16224 23457 13288 20168 4412 43555 32784 26559 12922 1709 79016 31483 23610 35897 1168 1081 1761 31944 25879 30290 1902 22671 47660 42757 45751 28200 1042 42884 77174 1230 4-aminobutyric acid 58817 38639 89230 59364 64380 66641 57558 41350 53915 48734 70090 102990 68176 50713 81895 42960 85400 63977 36341 78650 61171 49569 91920 53406 36436 19416 10999 40880 104500 142850 96950 35 141090 139460 86930 67090 9059 82780 3014 28338 10476 9227 38753 23032 33070 24063 11225 12957 3738 91230 61754 91957 26742 49684 81506 73381 78680 4958 66518 70625 78588 56023 58027 23439 4840 68444 84622 80562 41559 79681 28735 75171 6506 23221 27568 17355 9869 1008 31090 27473 31744 28954 565 881 1215 31950 19146 45991 1471 28977 24099 27365 33528 8112 550 30446 24030 3610 3-phosphoglycerate 533 234 1300 207 6590 235 401 3720 153 306 6160 6830 387 341 330 95 6970 219 156 356 160 190 4920 86 492 46 130 9200 16520 7420 9090 28 4900 5670 6300 10380 54 12650 63 910 2 66 207 53 193 333 57 22 27 161 116 445 99 170 503 280 200 59 193 269 207 106 158 55 46 173 232 390 110 228 86 90 47 101 65 0 26 29 145 122 53 103 18 48 15 51 45 60 31 0 53 144 587 82 24 347 78 320 3-hydroxypropionic acid 42912 40154 411740 55497 315040 27509 69407 226830 51507 27018 331750 362840 58557 40251 99340 40348 299130 51867 32402 47979 30790 90861 388430 29652 80940 78994 57343 378070 491930 457440 229420 219 363070 331620 220230 264760 28512 307760 9329 103160 46846 12374 97948 55474 85946 58889 57506 45784 3510 206468 51194 165091 27361 90590 177567 137559 72513 6631 83759 137169 122990 73753 72365 35988 6368 109403 93380 209801 98409 134894 42347 82762 11157 157271 73275 74659 38943 6024 172652 119770 78002 124471 2811 5177 5813 107509 93906 106640 7247 95026 91154 168045 161508 127716 2382 144925 137441 9510 3-hydroxy-3-methylglutaric acid 121 163 820 127 1010 158 151 780 137 213 1100 1210 206 182 300 176 1330 246 116 243 164 167 900 185 441 112 131 740 880 1180 380 21 910 1010 450 1030 45 920 56 236 151 60 182 147 112 111 90 75 203 350 191 286 86 184 408 215 226 57 207 256 88 239 241 139 52 237 238 356 166 346 79 227 64 170 220 174 88 38 356 298 254 336 39 52 75 318 229 375 27 317 252 183 355 368 44 187 416 820 3-aminoisobutyric acid 3415 3185 8710 4285 9830 2808 2739 10140 1840 3567 12920 9160 2956 1891 2208 1954 15550 1724 2899 4386 3097 3092 12430 1196 7964 5682 1735 13550 14980 10090 13150 261 16010 7540 14170 12130 2751 11130 615 7419 3649 733 4685 5648 2490 4409 4243 4073 187 5190 2636 4379 1745 2001 5394 3816 3465 410 3251 3633 4003 4684 2380 1181 739 3520 3095 5002 3754 2496 2803 3933 492 6928 4267 2718 2087 476 5987 2383 4661 5081 487 542 571 5350 4191 1971 810 4938 4849 6337 6143 5524 257 5996 6368 1960 3,6-anhydro-D-galactose 278 215 15250 500 13750 316 461 11830 334 248 9210 22440 334 391 533 430 11140 295 297 369 307 449 14200 361 2329 1532 724 31050 20600 37940 12190 73 28100 41550 13970 17590 287 26520 66 1956 1170 83 1919 1220 1985 1300 957 1056 9899 827 453 740 236 353 2109 1764 1047 174 1376 1361 1891 914 1078 574 115 942 1800 1771 901 1179 402 1479 173 4867 6014 4686 6138 218 8470 5840 5309 4341 143 210 273 7492 6484 6949 350 9575 5980 7426 9924 1187 97 11225 10262 16110 2-monopalmitin 4779 5498 15260 1326 10760 4948 1316 8980 1599 1323 7190 13550 1354 5513 5082 4900 46050 4469 2623 1352 1660 2062 42240 4423 5337 6592 1578 53030 47940 43560 7330 4062 48780 45530 10840 48900 3123 48070 4575 6050 5486 3909 6192 5450 3742 5868 5686 5979 1919 3039 4998 3582 4436 1694 3326 3018 5298 4535 2856 3763 2846 5281 6009 842 4355 2564 2832 2856 1237 2222 891 3785 413 4512 5798 2912 1787 4592 3822 5671 5802 5411 4234 4387 4340 2199 6051 4799 280 3685 2774 5744 3834 6046 4273 3633 4723 4400 2-methylglyceric acid NIST 684 3200 2590 708 6970 2970 452 2400 383 458 5560 11770 645 1004 493 328 4450 3485 245 1136 663 706 6210 431 2630 1422 1086 6620 8660 13660 4110 73 5370 5500 3600 6290 309 5870 74 2446 753 136 1088 614 946 843 796 979 17409 878 500 414 280 434 1378 748 404 45 553 576 984 513 442 102 82 526 1141 1091 280 751 380 456 149 3563 2450 1612 1273 138 5698 1787 1510 1561 100 149 161 165 1334 1658 144 1644 3967 2778 1994 1715 80 2796 6308 32070 2-ketoisocaproic acid 2628 3813 26500 5017 25830 2450 2946 31500 2873 3108 29460 25150 2576 3123 2185 3258 29660 2289 3530 5337 2990 2636 24020 2150 5717 5077 2418 33200 32900 30230 27950 1311 34200 38930 25870 26370 3647 28480 2594 9057 3611 1709 7006 5073 6588 3745 3380 3354 4077 2972 2971 2849 2356 2253 3506 3528 3276 1673 3266 4012 3759 3520 3186 2181 2338 2565 2578 3022 4401 2120 4262 2599 1516 5436 3903 2516 2774 2111 4735 5544 3812 5597 2125 1749 2139 6351 3508 6043 2133 4837 5269 6022 6139 4889 1170 5847 5065 28570 2-hydroxyglutaric acid 16489 19696 93080 2342 77580 15628 8644 143620 5186 3602 70220 84260 6910 6885 8816 4533 97990 11491 4550 7197 11948 2567 78350 4499 65072 46045 10972 145750 178980 153700 150990 27 240780 213750 137320 159350 16875 230530 910 34107 24646 395 47054 47539 40697 35652 27098 33533 867 2929 4221 3981 1189 4299 4636 5418 4256 402 1477 5449 3255 5156 6289 2700 288 7886 4447 8064 5155 8826 1472 5540 340 33179 31203 17830 12693 986 28963 33969 38610 32925 707 866 1142 43639 35923 44243 1353 30386 22058 31781 41584 39362 587 25330 26688 1990 2-aminobutyric acid 6763 7979 24270 6619 22810 8309 8303 27980 6957 9450 29960 29380 9333 7594 7471 5758 28950 8448 4711 11245 9305 4215 30070 6758 10478 7043 2515 34640 34900 37080 34970 269 34450 48450 39260 43140 3951 42520 1269 9722 5844 1576 8490 6020 7449 6039 5209 6632 3445 7406 6497 7263 2668 5839 8732 8061 7320 897 8164 6721 6952 4012 8174 4055 1039 8114 8758 8932 5963 7254 3653 9169 1126 7560 5845 4400 3294 658 7370 6651 7392 6507 543 364 816 8458 6808 8405 759 7878 6958 4348 8313 8482 665 7208 8672 12380 2,5-dihydroxypyrazine NIST 3589 5245 1050 119 940 4985 2756 890 2319 1155 360 670 4480 6187 2733 3342 310 5813 792 1566 2106 326 570 2649 186 103 86 840 510 1160 1630 22 720 390 1060 960 41 770 226 263 80 13 118 103 102 74 120 83 299 568 681 307 84 478 266 778 674 46 216 609 276 617 825 410 15 653 298 958 592 985 67 457 20 148 143 138 40 48 166 117 106 104 20 56 26 187 113 167 37 138 160 155 158 116 58 159 237 1670 1-monostearin 2053 366 50210 45401 52060 111534 117352 62040 109742 82420 53820 37410 149594 112563 160669 107983 54570 98633 118229 45920 91704 92889 43730 86804 4100 6608 5442 67280 38100 86760 35790 43 58790 34390 33220 35320 2397 29800 16582 10067 4355 11195 14094 6821 4353 5448 2593 5454 2318 169233 86886 139834 36334 96850 121644 121221 120889 7983 87396 128283 86688 117665 88779 46821 5977 189221 111680 148591 72379 129416 17612 158122 5746 7841 5882 880 8230 259 5026 9712 7735 7587 217 300 419 10678 6975 5919 625 1787 6005 10948 2443 8430 172 538 6310 2710 1-monopalmitin 591 298 23700 8902 12750 16198 15865 15290 16265 13862 11190 20680 20020 15564 21373 15252 12780 15621 16787 9531 13706 13987 7980 11703 1336 1383 440 12800 10500 31000 7670 26 11630 4650 8630 3230 664 8710 2870 4279 2345 1929 2093 1665 1340 1270 393 836 3518 21018 12784 20715 5975 13991 16931 18107 17217 1720 14574 18682 13636 17113 13176 6434 894 24984 15776 22315 12395 17238 4561 23801 1444 3555 304 1278 375 213 2239 3230 2343 688 151 231 251 3037 1391 1522 244 703 3395 2576 1921 2820 105 2872 2178 7420 1-kestose 10563 58566 3950 452 2860 15302 1617 3540 30991 31479 2750 2190 8219 24825 14114 8405 17430 11931 1802 2759 14322 2635 2420 6200 830 45755 5239 8430 2160 4490 3360 42 8930 4190 2510 4320 303 3070 6714 6426 30601 221 8857 9291 981 4099 32122 24007 2825 2618 11800 2058 1489 2771 1666 868 10673 616 2739 1326 731 7498 9252 6194 145 4875 1905 3481 11636 10300 154 3174 71 5348 3122 737 5585 55 2978 5209 5415 9417 23 103 53 3330 30592 3634 48 5444 2941 6366 539 29672 60 1036 16644 6530 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID InChI Key xylulose NIST 553450 173 439205 C00312 LQXVFWRQNMEDEE-PYHARJCCSA-N xylose 543267 103 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N xylitol 567437 217 6912 C00379 HEBKCHPVOIAQTA-NGQZWQHPSA-N xanthine 701688 353 1188 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N valine 313502 144 6287 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N uridine 861508 217 6029 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N uric acid 730691 441 1175 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N urea 328888 189 1176 C00086 XSQUKJJJFZCRTK-UHFFFAOYSA-N uracil 385816 241 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N UDP GlcNAc 627437 226 445675 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N tyrosine 671252 218 6057 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N tryptophan 780482 202 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N tocopherol gamma- 1026121 223 92729 C02483 QUEDXNHFTDJVIY-DQCZWYHMSA-N thymine 420133 255 1135 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N threonine 409568 218 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N threonic acid 497572 292 5460407 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N threitol 467595 217 169019 C16884 UNXHWFMMPAWVPI-QWWZWVQMSA-N taurine 558857 326 1123 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N sucrose 912704 271 5988 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N succinic acid 370608 247 1110 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N stearic acid 787622 117 5281 C01530 QIQXTHQIDYTFRH-UHFFFAOYSA-N spermidine 792924 144 1102 C00315 ATHGHQPFGPMSJY-UHFFFAOYSA-N sorbitol 667922 217 5780 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N sophorose 965726 307 441432 C08250 HIWPGCMGAMJNRG-BTLHAWITSA-N shikimic acid 608627 204 8742 C00493 JXOHGGNKMLTUBP-HSUXUTPPSA-N serine 395020 218 5951 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N sarcosine 266344 116 7311726 C00213 FSYKKLYZXJSNPZ-UHFFFAOYSA-N saccharic acid 699211 333 33037 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-N ribose 553135 217 5779 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N ribonic acid 597646 292 5460677 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N ribitol 575497 217 827 C00474 HEBKCHPVOIAQTA-ZXFHETKHSA-N raffinose 1120886 361 439242 C00492 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N pyruvic acid 211003 174 1060 C00022 LCTONWCANYUPML-UHFFFAOYSA-N pyrophosphate 327517 110 1023 C00013 XPPKVPWEQAFLFU-UHFFFAOYSA-N pseudo uridine 813899 217 15047 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N propane-1,3-diol NIST 214380 177 10442 C02457 YPFDHNVEDLHUCE-UHFFFAOYSA-N proline 364716 142 145742 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N pipecolinic acid 404121 156 6931662 HXEACLLIILLPRG-RXMQYKEDSA-N phosphoethanolamine 604335 299 1015 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N phosphate 345365 314 1004 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N phenylethylamine 510327 174 1001 C05332 BHHGXPLMPWCGHP-UHFFFAOYSA-N phenylalanine 537804 218 6140 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N pelargonic acid 399229 117 8158 C01601 FBUKVWPVBMHYJY-UHFFFAOYSA-N parabanic acid NIST 464991 100 67126 C00802 ZFLIKDUSUDBGCD-UHFFFAOYSA-N pantothenic acid 690887 291 6613 C12276 GHOKWGTUZJEAQD-ZETCQYMHSA-N palmitoleic acid 704511 311 445638 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N palmitic acid 713809 313 985 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N palatinitol 996670 204 88735 SERLAGPUMNYUCK-DCUALPFSSA-N oxoproline 485935 156 7405 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N oxalic acid 260513 190 971 C00209 MUBZPKHOEPUJKR-UHFFFAOYSA-N orotic acid 586317 254 967 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N ornithine 527113 142 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N oleic acid 779120 339 445639 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N octadecanol 755409 327 8221 GLDOVTGHNKAZLK-UHFFFAOYSA-N nicotinic acid 366992 180 938 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N nicotinamide 469827 179 936 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N N-acetylmannosamine 735323 319 439281 C00645 OVRNDRQMDRJTHS-ZTVVOAFPSA-N N-acetylglutamate 604748 216 70914 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N n-acetyl-d-hexosamine 746341 319 24139 C03878 OVRNDRQMDRJTHS-FMDGEEDCSA-N N-acetylaspartic acid 548028 158 65065 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N myristic acid 634414 285 11005 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N myo-inositol 730022 305 892 C00137 CDAISMWEOUEBRE-UHFFFAOYSA-N monomyristin 838305 343 79050 DCBSHORRWZKAKO-UHFFFAOYSA-N methylmalonic acid 311617 147 487 C02170 ZIYVHBGGAOATLY-UHFFFAOYSA-N methionine sulfoxide 637588 128 158980 C02989 QEFRNWWLZKMPFJ-YGVKFDHGSA-N methionine 483560 176 6137 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N methanolphosphate 289520 241 13130 CAAULPUQFIIOTL-UHFFFAOYSA-N melezitose 1146704 361 92817 C08243 QWIZNVHXZXRPDR-WSCXOGSTSA-N mannose 645856 205 18950 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N maltotriose 1176044 361 439586 C01835 FYGDTMLNYKFZSV-DZOUCCHMSA-N maltose 946601 204 439186 C00208 GUBGYTABKSRVRQ-PICCSMPSSA-N maltitol 976828 361 493591 D04845 VQHSOMBJVWLPSR-WUJBLJFYSA-N malic acid 463180 233 525 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N maleimide 245118 154 10935 C07272 PEEHTFAAVSWFBL-UHFFFAOYSA-N lyxitol 573587 217 439255 C00532 HEBKCHPVOIAQTA-IMJSIDKUSA-N lysine 663483 156 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N linolenic acid 780376 108 5280934 C06427 DTOSIQBPPRVQHS-PDBXOOCHSA-N linoleic acid 777414 150 5280450 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N lignoceric acid 978597 132 11197 C08320 QZZGJDVWLFXDLK-UHFFFAOYSA-N leucine 345845 158 6106 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N L-DOPA 722149 267 lauric acid 547906 117 3893 C02679 POULHZVOKOAJMA-UHFFFAOYSA-N lactose 935640 191 440995 C00243 GUBGYTABKSRVRQ-QKKXKWKRSA-N lactic acid 217657 191 612 C01432 JVTAAEKCZFNVCJ-UHFFFAOYSA-N isothreonic acid 489385 292 151152 C00639 JPIJQSOTBSSVTP-GBXIJSLDSA-N isomaltose 993307 204 439193 C00252 DLRVVLDZNNYCBX-RTPHMHGBSA-N isoleucine 359251 158 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N isohexonic acid 698302 333 604 RGHNJXZEOKUKBD-UHFFFAOYSA-N inulotriose 1131821 361 22833608 C01355 AIHDCSAXVMAMJH-GFBKWZILSA-N inositol-4-monophosphate 845976 315 440043 C03546 INAPMGSXUVUWAF-GFWFORPUSA-N inosine 5'-monophosphate 1016811 169 8582 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N inosine 897434 230 6021 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N hypoxanthine 619128 265 790 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N hydroxylamine 255241 146 787 C00192 AVXURJPOCDRRFD-UHFFFAOYSA-N hydroxycarbamate NIST 325318 278 16639161 DRAJWRKLRBNJRQ-UHFFFAOYSA-M homoserine 443878 218 12647 C00263 UKAUYVFTDYCKQA-VKHMYHEASA-N histidine 663790 154 6274 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N hexuronic acid 667373 160 152867 IAJILQKETJEXLJ-UHFFFAOYSA-N hexose-6-phosphate 806282 387 208 C02965 NBSCHQHZLSJFNQ-UHFFFAOYSA-N hexadecane 525964 85 11006 DCAYPVUWAIABOU-UHFFFAOYSA-N guanosine 954962 324 6802 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N glycolic acid 227636 177 757 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N glycine 368707 248 750 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N glycerol-alpha-phosphate 590747 357 754 C03189 AWUCVROLDVIAJX-UHFFFAOYSA-N glycerol-3-galactoside 800205 204 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 344466 205 753 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N glyceric acid 377495 189 439194 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N glutaric acid 421596 261 743 C00489 JFCQEDHGNNZCLN-UHFFFAOYSA-N glutamine 600315 156 5961 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N glutamic acid 529100 246 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N glucose-6-phosphate 818275 387 5958 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N glucose 659798 319 64689 C00221 WQZGKKKJIJFFOK-VFUOTHLCSA-N gluconic acid lactone 645815 220 7027 C00198 PHOQVHQSTUBQQK-SQOUGZDYSA-N gluconic acid 693148 333 6857417 C00800 RGHNJXZEOKUKBD-QTBDOELSSA-N glucoheptulose 828606 217 5459879 C02076 HSNZZMHEPUFJNZ-SHUUEZRQSA-N galactinol 998425 204 11727586 C01235 VCWMRQDBPZKXKG-ZNVDUFQESA-N fumaric acid 392338 245 444972 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N fructose-6-phosphate 804279 315 440641 C05345 BGWGXPAPYGQALX-ARQDHWQXSA-N fructose 639442 307 439709 C02336 RFSUNEUAIZKAJO-ARQDHWQXSA-N ethanolamine 343800 174 700 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N erythritol 471922 217 222285 C00503 UNXHWFMMPAWVPI-ZXZARUISSA-N ergosterol 1100305 363 444679 C01694 DNVPQKQSNYMLRS-APGDWVJJSA-N enolpyruvate NIST 234394 217 1005 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N dehydroascorbic acid 633423 173 440667 C05422 SBJKKFFYIZUCET-JLAZNSOCSA-N cytidine-5-monophosphate 700635 243 6131 C00055 IERHLVCPSMICTF-XVFCMESISA-N cysteine-glycine 715335 220 439498 C01419 ZUKPVRWZDMRIEO-VKHMYHEASA-N cysteine 500158 220 5862 C00097 XUJNEKJLAYXESH-REOHCLBHSA-N citrulline 621404 157 9750 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N citric acid 617342 273 311 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N cholic acid 1110266 253 221493 C05463 BHQCQFFYRZLCQQ-OELDTZBJSA-N cellobiose 942758 361 6255 C01971 GUBGYTABKSRVRQ-QUYVBRFLSA-N capric acid 452386 229 2969 C01571 GHVNFZFCNZKVNT-UHFFFAOYSA-N butyrolactam NIST 277199 142 12025 HNJBEVLQSNELDL-UHFFFAOYSA-N beta-sitosterol 1128225 129 222284 C01753 KZJWDPNRJALLNS-VJSFXXLFSA-N beta-glycerolphosphate 574470 243 2526 C02979 DHCLVCXQIBBOPH-UHFFFAOYSA-N beta-alanine 435564 248 239 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N benzoic acid 339067 179 243 C00180 WPYMKLBDIGXBTP-UHFFFAOYSA-N aspartic acid 480387 232 5960 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N asparagine 553078 188 6267 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N arachidic acid 856421 117 10467 C06425 VKOBVWXKNCXXDE-UHFFFAOYSA-N aminomalonate 455754 218 100714 C00872 JINBYESILADKFW-UHFFFAOYSA-N alpha-ketoglutarate 507392 198 51 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N allantoic acid 726050 259 203 C00499 NUCLJNSWZCHRKL-UHFFFAOYSA-N alanine 244189 116 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N adipic acid 474435 111 196 C06104 WNLRTRBMVRJNCN-UHFFFAOYSA-N adenosine-5-monophosphate 1038688 169 6083 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N adenosine 918039 236 60961 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N adenine 646701 264 190 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N acetophenone NIST 238615 105 7410 C07113 KWOLFJPFCHCOCG-UHFFFAOYSA-N 4-hydroxyhippuric acid NIST 784581 294 151012 ZMHLUFWWWPBTIU-UHFFFAOYSA-N 4-hydroxybutyric acid 325027 233 10413 C00989 SJZRECIVHVDYJC-UHFFFAOYSA-N 4-hydroxybenzoate 537925 223 135 C00156 FJKROLUGYXJWQN-UHFFFAOYSA-N 4-aminobutyric acid 488730 304 119 C00334 BTCSSZJGUNDROE-UHFFFAOYSA-N 3-phosphoglycerate 610734 227 724 C00597 OSJPPGNTCRNQQC-UHFFFAOYSA-N 3-hydroxypropionic acid 269265 177 68152 C01013 ALRHLSYJTWAHJZ-UHFFFAOYSA-N 3-hydroxy-3-methylglutaric acid 521554 247 1662 C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N 3-aminoisobutyric acid 309837 102 64956 C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N 3,6-anhydro-D-galactose 588886 231 16069996 C06474 WZYRMLAWNVOIEX-BGPJRJDNSA-N 2-monopalmitin 890356 129 123409 BBNYCLAREVXOSG-UHFFFAOYSA-N 2-methylglyceric acid NIST 372491 219 560781 DGADNPLBVRLJGD-UHFFFAOYSA-N 2-ketoisocaproic acid 310761 89 70 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N 2-hydroxyglutaric acid 506306 247 43 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N 2-aminobutyric acid 286855 130 6657 C02721 QWCKQJZIFLGMSD-UHFFFAOYSA-N 2,5-dihydroxypyrazine NIST 397526 241 23368901 USHRADXTTYICIJ-UHFFFAOYSA-N 1-monostearin 959214 203 24699 D01947 VBICKXHEKHSIBG-UHFFFAOYSA-N 1-monopalmitin 901749 129 14900 C01885 QHZLMUACJMDIAE-UHFFFAOYSA-N 1-kestose 1123027 361 440080 C03661 VAWYEUIPHLMNNF-OESPXIITSA-N METABOLITES_END #END