#METABOLOMICS WORKBENCH westcoastmetabolomics_20231031_095502 DATATRACK_ID:4431 STUDY_ID:ST002952 ANALYSIS_ID:AN004849 PROJECT_ID:PR001835 VERSION 1 CREATED_ON October 31, 2023, 10:31 am #PROJECT PR:PROJECT_TITLE Investigate the impact of feeding time on the hexosamine biosynthetic pathway PR:PROJECT_TITLE (HBP) in the mouse liver and heart using targeted metabolomics: primary PR:PROJECT_TITLE metabolism PR:PROJECT_SUMMARY The overall goal of this project is to advance our understanding of PR:PROJECT_SUMMARY post-translational mechanisms that mediate metabolic regulation of PR:PROJECT_SUMMARY time-of-day-specific protein functions to orchestrate daily rhythms and maintain PR:PROJECT_SUMMARY homeostasis in animals. Robust daily biological rhythms over the 24-hour (h) PR:PROJECT_SUMMARY day-night cycles are key hallmarks of animal health span and are strongly PR:PROJECT_SUMMARY regulated by circadian clocks. Circadian clocks are cell autonomous molecular PR:PROJECT_SUMMARY timers present in the brain and in peripheral organs that enable animals to PR:PROJECT_SUMMARY adapt to predictable daily changes in environment and regulate rhythmic PR:PROJECT_SUMMARY processes such as sleep-wake cycles, feeding-fasting cycles, metabolism, PR:PROJECT_SUMMARY hormonal signaling and neuronal excitability. Besides light, the dominant time PR:PROJECT_SUMMARY cue for the brain clock, metabolic signals from clock-controlled feeding-fasting PR:PROJECT_SUMMARY cycles represent the most potent time cue to entrain and synchronize peripheral PR:PROJECT_SUMMARY clocks in key organs. Much effort has been dedicated to understanding the PR:PROJECT_SUMMARY metabolic regulation of daily biological rhythms, but many important mechanisms PR:PROJECT_SUMMARY are only just emerging. We recently established that metabolic signals from PR:PROJECT_SUMMARY feeding-fasting cycles regulate daily biological rhythms in Drosophila through PR:PROJECT_SUMMARY rhythmic O-linked-N-acetylglucosaminylation (O-GlcNAcylation). Protein PR:PROJECT_SUMMARY O-GlcNAcylation is a nutrient sensitive posttranslational modification (PTM) PR:PROJECT_SUMMARY that is tightly linked to metabolic status, as UDP-GlcNAc, the substrate of PR:PROJECT_SUMMARY O-GlcNAcylation, is produced from hexosamine biosynthetic pathway (HBP), which PR:PROJECT_SUMMARY integrates the metabolites from glucose, amino acid, lipid and nucleotide PR:PROJECT_SUMMARY metabolism. We now propose to investigate whether feeding activity can regulate PR:PROJECT_SUMMARY daily O-GlcNAcylation rhythm in mouse liver and heart and whether the levels of PR:PROJECT_SUMMARY HBP metabolites in mouse liver and heart are affected by different feeding time PR:PROJECT_SUMMARY within a day/night cycle. Here, we restricted the feeding time of C57BL/6 male PR:PROJECT_SUMMARY mice to ZT12-24 (RF12-24. ZT, zeitgeber time; ZT0 indicates light on, while ZT12 PR:PROJECT_SUMMARY indicates light off) v.s. ZT0-12 (RF0-12) for 3 weeks and collected liver and PR:PROJECT_SUMMARY heart tissues every 4 hours over a 24-hour period. The liver and heart samples PR:PROJECT_SUMMARY were subjected to targeted metabolomic analysis for HBP metabolites. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Department of Entomology and Nematology PR:LABORATORY Chiu lab PR:LAST_NAME Chiu PR:FIRST_NAME Joanna PR:ADDRESS 6352 Storer Hall, One Shields Avenue, Davis, CA 95616, USA PR:EMAIL jcchiu@ucdavis.edu PR:PHONE (530) 752-1643 #STUDY ST:STUDY_TITLE Investigate the impact of feeding time on the hexosamine biosynthetic pathway ST:STUDY_TITLE (HBP) in the mouse liver and heart using targeted metabolomics: primary ST:STUDY_TITLE metabolism ST:STUDY_SUMMARY The overall goal of this project is to advance our understanding of ST:STUDY_SUMMARY post-translational mechanisms that mediate metabolic regulation of ST:STUDY_SUMMARY time-of-day-specific protein functions to orchestrate daily rhythms and maintain ST:STUDY_SUMMARY homeostasis in animals. Robust daily biological rhythms over the 24-hour (h) ST:STUDY_SUMMARY day-night cycles are key hallmarks of animal health span and are strongly ST:STUDY_SUMMARY regulated by circadian clocks. Circadian clocks are cell autonomous molecular ST:STUDY_SUMMARY timers present in the brain and in peripheral organs that enable animals to ST:STUDY_SUMMARY adapt to predictable daily changes in environment and regulate rhythmic ST:STUDY_SUMMARY processes such as sleep-wake cycles, feeding-fasting cycles, metabolism, ST:STUDY_SUMMARY hormonal signaling and neuronal excitability. Besides light, the dominant time ST:STUDY_SUMMARY cue for the brain clock, metabolic signals from clock-controlled feeding-fasting ST:STUDY_SUMMARY cycles represent the most potent time cue to entrain and synchronize peripheral ST:STUDY_SUMMARY clocks in key organs. Much effort has been dedicated to understanding the ST:STUDY_SUMMARY metabolic regulation of daily biological rhythms, but many important mechanisms ST:STUDY_SUMMARY are only just emerging. We recently established that metabolic signals from ST:STUDY_SUMMARY feeding-fasting cycles regulate daily biological rhythms in Drosophila through ST:STUDY_SUMMARY rhythmic O-linked-N-acetylglucosaminylation (O-GlcNAcylation). Protein ST:STUDY_SUMMARY O-GlcNAcylation is a nutrient sensitive posttranslational modification (PTM) ST:STUDY_SUMMARY that is tightly linked to metabolic status, as UDP-GlcNAc, the substrate of ST:STUDY_SUMMARY O-GlcNAcylation, is produced from hexosamine biosynthetic pathway (HBP), which ST:STUDY_SUMMARY integrates the metabolites from glucose, amino acid, lipid and nucleotide ST:STUDY_SUMMARY metabolism. We now propose to investigate whether feeding activity can regulate ST:STUDY_SUMMARY daily O-GlcNAcylation rhythm in mouse liver and heart and whether the levels of ST:STUDY_SUMMARY HBP metabolites in mouse liver and heart are affected by different feeding time ST:STUDY_SUMMARY within a day/night cycle. Here, we restricted the feeding time of C57BL/6 male ST:STUDY_SUMMARY mice to ZT12-24 (RF12-24. ZT, zeitgeber time; ZT0 indicates light on, while ZT12 ST:STUDY_SUMMARY indicates light off) v.s. ZT0-12 (RF0-12) for 3 weeks and collected liver and ST:STUDY_SUMMARY heart tissues every 4 hours over a 24-hour period. The liver and heart samples ST:STUDY_SUMMARY were subjected to targeted metabolomic analysis for HBP metabolites. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Department of Entomology and Nematology ST:LABORATORY Chiu lab ST:LAST_NAME Chiu ST:FIRST_NAME Joanna ST:ADDRESS 6352 Storer Hall, One Shields Avenue, Davis, CA 95616, USA ST:EMAIL jcchiu@ucdavis.edu ST:PHONE (530) 752-1643 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Heart ZT11-rep1_043 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa01_1 SUBJECT_SAMPLE_FACTORS - Heart ZT11-rep2_044 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa02_1 SUBJECT_SAMPLE_FACTORS - Heart ZT11-rep3_045 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa03_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep1_046 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa04_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep2_047 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa05_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep3_048 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa06_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep1_049 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa07_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep2_050 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa08_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep3_051 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa09_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep1_052 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa10_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep2_053 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa11_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep3_054 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa12_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep1_037 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa13_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep2_038 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa14_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep3_039 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa15_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep1_040 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa16_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep2_041 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa17_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep3_042 organ:Heart | Treatment:Control RAW_FILE_NAME=211227aZTsa18_1 SUBJECT_SAMPLE_FACTORS - Heart ZT11-rep1_061 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa19_1 SUBJECT_SAMPLE_FACTORS - Heart ZT11-rep2_062 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa20_1 SUBJECT_SAMPLE_FACTORS - Heart ZT11rep3_063 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa21_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep1_064 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa22_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep2_065 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa23_1 SUBJECT_SAMPLE_FACTORS - Heart ZT15-rep3_066 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa24_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep1_067 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa25_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep2_068 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa26_1 SUBJECT_SAMPLE_FACTORS - Heart ZT19-rep3_069 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa27_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep1_070 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa28_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep2_071 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa29_1 SUBJECT_SAMPLE_FACTORS - Heart ZT23-rep3_072 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa30_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep1_055 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa31_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep2_056 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa32_1 SUBJECT_SAMPLE_FACTORS - Heart ZT3-rep3_057 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa33_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep1_058 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa34_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep2_059 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa35_1 SUBJECT_SAMPLE_FACTORS - Heart ZT7-rep3_060 organ:Heart | Treatment:Expt RAW_FILE_NAME=211227aZTsa36_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep1_007 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa37_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep2_008 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa38_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep3_009 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa39_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep1_010 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa40_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep2_011 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa41_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep3_012 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa42_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep1_013 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa43_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep2_014 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa44_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep3_015 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa45_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep1_016 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa46_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep2_017 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa47_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep3_018 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa48_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep1_001 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa49_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep2_002 organ:Liver | Treatment:Control RAW_FILE_NAME=211227aZTsa50_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep3_003 organ:Liver | Treatment:Control RAW_FILE_NAME=211228aZTsa01_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep1_004 organ:Liver | Treatment:Control RAW_FILE_NAME=211228aZTsa02_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep2_005 organ:Liver | Treatment:Control RAW_FILE_NAME=211228aZTsa03_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep3_006 organ:Liver | Treatment:Control RAW_FILE_NAME=211228aZTsa04_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep1_025 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa05_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep2_026 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa06_1 SUBJECT_SAMPLE_FACTORS - Liver ZT11-rep3_027 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa07_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep1_028 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa08_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep2_029 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa09_1 SUBJECT_SAMPLE_FACTORS - Liver ZT15-rep3_030 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa10_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep1_031 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa11_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep2_032 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa12_1 SUBJECT_SAMPLE_FACTORS - Liver ZT19-rep3_033 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa13_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep1_034 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa14_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep2_035 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa15_1 SUBJECT_SAMPLE_FACTORS - Liver ZT23-rep3_036 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa16_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep1_019 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa17_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep2_020 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa18_1 SUBJECT_SAMPLE_FACTORS - Liver ZT3-rep3_021 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa19_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep1_022 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa20_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep2_023 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa21_1 SUBJECT_SAMPLE_FACTORS - Liver ZT7-rep3_024 organ:Liver | Treatment:Expt RAW_FILE_NAME=211228aZTsa22_1 SUBJECT_SAMPLE_FACTORS - Pool_001-H organ:Heart | Treatment:Heart Pool QC RAW_FILE_NAME=211228aZTsa23_1 SUBJECT_SAMPLE_FACTORS - Pool_002-H organ:Heart | Treatment:Heart Pool QC RAW_FILE_NAME=211228aZTsa24_1 SUBJECT_SAMPLE_FACTORS - Pool_003-H organ:Heart | Treatment:Heart Pool QC RAW_FILE_NAME=211228aZTsa25_1 SUBJECT_SAMPLE_FACTORS - Pool_001-L organ:Liver | Treatment:Liver Pool QC RAW_FILE_NAME=211228aZTsa26_1 SUBJECT_SAMPLE_FACTORS - Pool_005-L organ:Liver | Treatment:Liver Pool QC RAW_FILE_NAME=211228aZTsa27_1 SUBJECT_SAMPLE_FACTORS - Pool_006-L organ:Liver | Treatment:Liver Pool QC RAW_FILE_NAME=211228aZTsa28_1 #COLLECTION CO:COLLECTION_SUMMARY Mice were anesthetized using isoflurane. The liver or heart are dissected out CO:COLLECTION_SUMMARY and rinsed with PBS. Then samples were flash frozen in liquid nitrogen and CO:COLLECTION_SUMMARY stored at -80C. Samples were weight on dry ice before sending out for CO:COLLECTION_SUMMARY metabolomics analysis. CO:SAMPLE_TYPE Heart and Liver #TREATMENT TR:TREATMENT_SUMMARY The mice were either fed at natural feeding time (during nighttime, Control TR:TREATMENT_SUMMARY group) or at unnatural feeding time (during daytime, Expt group). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY SOP -GCMS-02252019 #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890 CH:COLUMN_NAME Restek Rtx-5Sil MS (30m x 0.25mm, 0.25um) CH:SOLVENT_A NA CH:SOLVENT_B NA CH:FLOW_GRADIENT NA CH:FLOW_RATE 1 mL/min CH:COLUMN_TEMPERATURE NA #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass spectrometer settings: A Leco Pegasus IV time of flight mass spectrometer MS:MS_COMMENTS is controlled by the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The MS:MS_COMMENTS transfer line temperature between gas chromatograph and mass spectrometer is set MS:MS_COMMENTS to 280°C. Electron impact ionization at 70V is employed with an ion source MS:MS_COMMENTS temperature of 250°C. Acquisition rate is 17 spectra/second, with a scan mass MS:MS_COMMENTS range of 85-500 Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak heights MS_METABOLITE_DATA_START Samples Heart ZT11-rep1_043 Heart ZT11-rep2_044 Heart ZT11-rep3_045 Heart ZT15-rep1_046 Heart ZT15-rep2_047 Heart ZT15-rep3_048 Heart ZT19-rep1_049 Heart ZT19-rep2_050 Heart ZT19-rep3_051 Heart ZT23-rep1_052 Heart ZT23-rep2_053 Heart ZT23-rep3_054 Heart ZT3-rep1_037 Heart ZT3-rep2_038 Heart ZT3-rep3_039 Heart ZT7-rep1_040 Heart ZT7-rep2_041 Heart ZT7-rep3_042 Heart ZT11-rep1_061 Heart ZT11-rep2_062 Heart ZT11rep3_063 Heart ZT15-rep1_064 Heart ZT15-rep2_065 Heart ZT15-rep3_066 Heart ZT19-rep1_067 Heart ZT19-rep2_068 Heart ZT19-rep3_069 Heart ZT23-rep1_070 Heart ZT23-rep2_071 Heart ZT23-rep3_072 Heart ZT3-rep1_055 Heart ZT3-rep2_056 Heart ZT3-rep3_057 Heart ZT7-rep1_058 Heart ZT7-rep2_059 Heart ZT7-rep3_060 Liver ZT11-rep1_007 Liver ZT11-rep2_008 Liver ZT11-rep3_009 Liver ZT15-rep1_010 Liver ZT15-rep2_011 Liver ZT15-rep3_012 Liver ZT19-rep1_013 Liver ZT19-rep2_014 Liver ZT19-rep3_015 Liver ZT23-rep1_016 Liver ZT23-rep2_017 Liver ZT23-rep3_018 Liver ZT3-rep1_001 Liver ZT3-rep2_002 Liver ZT3-rep3_003 Liver ZT7-rep1_004 Liver ZT7-rep2_005 Liver ZT7-rep3_006 Liver ZT11-rep1_025 Liver ZT11-rep2_026 Liver ZT11-rep3_027 Liver ZT15-rep1_028 Liver ZT15-rep2_029 Liver ZT15-rep3_030 Liver ZT19-rep1_031 Liver ZT19-rep2_032 Liver ZT19-rep3_033 Liver ZT23-rep1_034 Liver ZT23-rep2_035 Liver ZT23-rep3_036 Liver ZT3-rep1_019 Liver ZT3-rep2_020 Liver ZT3-rep3_021 Liver ZT7-rep1_022 Liver ZT7-rep2_023 Liver ZT7-rep3_024 Pool_001-H Pool_002-H Pool_003-H Pool_001-L Pool_005-L Pool_006-L Factors organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Control organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Heart | Treatment:Expt organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Control organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Liver | Treatment:Expt organ:Heart | Treatment:Heart Pool QC organ:Heart | Treatment:Heart Pool QC organ:Heart | Treatment:Heart Pool QC organ:Liver | Treatment:Liver Pool QC organ:Liver | Treatment:Liver Pool QC organ:Liver | Treatment:Liver Pool QC xylulose 2086 2093 1185 1662 1536 1789 1217 998 1935 1552 1482 1874 1068 987 1827 823 1817 637 2680 1650 2813 1145 1158 1102 1613 1149 3849 1344 1258 1582 1024 1353 1760 1501 2463 1219 2472 1675 3712 1986 5222 1216 3468 2713 2493 2905 2610 2054 3884 4045 3586 2459 3693 2668 2873 2124 3507 1693 2480 2259 2891 2112 2986 2920 2736 2477 4131 2569 3788 2506 3674 2164 2083 2928 2562 582 2586 2557 xylose 4141 3464 3208 4059 3148 4406 4433 3735 3493 2500 3073 3846 2937 3118 5193 3951 4358 2784 2304 3596 4140 4559 2676 4491 4402 3387 4886 3808 3489 3340 2487 2347 3210 2479 3286 4195 4046 4649 3619 3826 3956 2844 4260 5901 6302 4207 4286 5191 5281 4904 3708 4903 3389 5548 4507 5779 6743 5989 11037 7580 6502 5628 5142 3901 3478 5438 5945 4076 3732 4245 4041 4054 3748 4755 3873 17558 42690 25607 xylonolactone 2974 2343 2261 1773 2443 2238 1584 1398 3152 2219 2375 4023 882 2823 2162 1870 2196 1447 2328 2441 3648 1954 2780 1894 2677 2207 4705 2452 2225 2050 1313 2349 2774 1719 2907 2907 5405 6302 4166 2813 4696 5147 2798 5246 5456 4509 2090 3654 1303 5973 3398 6449 6687 521 6540 5843 6608 5868 5323 3983 3166 2921 7733 4004 3675 7017 6394 3801 5900 4840 4641 5571 2311 2492 2299 4474 2607 1143 xylonic acid isomer 3188 2704 2546 2216 3518 3796 2751 2335 5401 2095 1238 1438 2957 2035 2196 1371 1522 1539 3113 1111 1974 1781 1374 2090 2311 930 2059 1410 814 1590 1634 928 2205 1783 3013 1064 3337 3549 6153 5050 4873 3805 6897 5536 4847 4211 7969 6044 4884 6806 4152 4050 3773 4661 5597 4812 3632 4692 5645 4505 4441 3544 4813 4798 3322 6734 8120 3145 5089 4370 5475 5409 3098 3263 3270 26745 23837 21944 xylitol 4173 3826 5307 4990 4238 5213 4971 4428 4736 5024 4656 5432 4525 5024 8040 4710 5911 4404 4422 5484 6742 7045 9281 8784 6180 8020 8146 4533 5667 4258 3614 3625 3150 4225 3867 4431 28655 30035 34122 28744 39592 24471 20214 44446 29371 22906 19594 23241 32289 30723 28002 34528 47968 28402 21076 25790 38729 23004 30735 23142 28449 26802 32601 37019 25549 17234 38014 29713 29207 21213 28548 25321 4552 4738 5325 32515 28725 28544 xanthosine 278 227 141 312 241 342 210 167 270 177 226 299 186 242 338 204 168 239 187 183 210 125 136 171 171 155 288 218 220 163 195 162 164 147 269 146 627 7096 4547 410 7824 2931 4182 9126 10389 7161 8942 7463 7299 10899 8095 10883 10040 5451 3115 4608 6310 4366 5611 2034 4184 3872 4507 1007 5129 3455 6684 3272 4286 2166 5651 3468 238 217 198 7092 4889 4447 xanthine 13076 13438 14846 14150 13825 14557 9630 10316 17263 14163 14600 17835 9923 14105 12406 13928 8850 7725 12179 16985 18435 10899 14852 16716 14248 16266 19673 13475 17712 12956 11274 12423 12850 14253 10205 15114 46871 30610 37050 60007 48612 26397 37305 33573 32701 48382 29620 31338 43361 58089 43957 60424 34441 44110 28669 29083 45962 35026 31455 22310 28260 27069 35193 40554 30940 52513 59025 36192 32070 32993 33821 35924 13201 13301 12499 42673 35473 32567 valine 151523 139160 135840 182809 127267 147015 103963 198175 184754 163011 211751 182593 172142 90660 101798 157247 161795 137760 167329 169162 96327 99582 132926 141048 160389 153857 138832 134151 149735 131660 150093 100142 167781 178499 174437 152065 209602 137480 150360 221837 165893 125014 181366 155113 148150 139487 117911 99836 119628 128492 177923 118944 101478 113468 145251 154400 174915 130155 156828 280742 278826 107086 116940 136403 229807 153850 168107 107144 159490 471916 180792 185446 130190 112807 64833 93329 103397 100410 uridine 23284 24795 33673 22334 17268 23739 25048 23761 23921 25243 19403 26994 23642 32387 32638 28202 35394 28092 24054 21943 31019 24010 24021 25737 31919 21044 28514 30082 29827 26389 18431 23163 17122 24705 19487 17695 35290 33996 38239 58161 68608 36018 51877 49579 56062 44214 23493 31324 32082 47551 24944 37975 48495 33052 39932 42997 47119 42970 43667 33631 25666 32688 34291 25318 27420 35450 57828 41908 44049 45266 58516 45492 20731 24298 28321 53867 32772 30394 uric acid 1347 839 2359 1486 2418 1078 77 1639 2607 2311 2034 2270 1493 3170 1574 2578 1001 1376 1063 2711 1561 3042 3213 2790 2265 2897 1772 1988 2998 2938 2426 2406 1603 2202 194 2872 1840 3197 2966 1254 819 6943 1372 5455 2599 4360 9696 6703 3630 3321 3226 4265 4606 1739 1889 4024 21123 4725 6099 1303 3109 1559 3388 1994 5347 7824 2826 2470 1297 1955 1458 2133 3753 3905 3703 7083 3823 3664 urea 1073430 1491068 1254944 1875162 1917027 2452759 2871901 2360576 2660540 1707234 1824462 2317869 2033060 2617626 2820337 1447198 1958431 1910194 1184882 1886057 3288065 2828045 2554757 2031207 1681917 1946733 2111688 1042372 1307381 1491814 1945931 2677310 2600184 1928662 1148014 2181865 2325298 2701324 3038157 2073573 2116406 2373021 2303243 2791116 2595939 1374670 1227693 1289739 1182126 1431426 1486922 2054634 2581428 2593421 1686087 1408756 3334567 3150039 2381208 1433439 1688859 2016266 2450644 1531968 1419826 1528267 3391631 2447890 3349318 2916124 2104025 1366932 1786370 1847208 2098121 1636842 1509208 1350739 uracil 30428 16846 17737 13993 13726 8740 14759 10694 17374 13052 16024 14072 14561 8525 14876 17592 15501 9813 15275 20988 19115 15779 15539 15366 18359 15030 20151 15309 20055 16894 5861 10635 12424 15652 19522 17924 16510 12837 20728 13902 13639 5178 11552 4260 6084 5481 2960 2981 9888 18482 9069 29051 22978 11319 8803 8112 19968 7037 6671 5950 6636 4396 5992 8989 6412 17402 30835 19856 12436 18971 14408 19091 7430 12963 12996 13227 10964 7003 UDP-N-acetylglucosamine 3714 3255 1830 3878 3386 3226 2747 1505 1903 2325 2416 3455 1861 3219 3095 1500 2727 2091 2814 2312 3209 2330 1897 2674 3545 1943 4398 2241 2476 890 2747 3134 1412 2216 4018 1664 8443 21293 22722 9818 16808 23366 16597 27285 21183 23583 14221 19604 19012 18524 7308 20066 21968 24119 23569 22520 32407 20074 27990 25088 18364 21149 22961 22004 17309 22209 19831 21520 18056 15399 20392 24767 3229 3752 2955 27666 20543 19463 tyrosine 43616 50814 34152 72935 45036 52097 46866 30234 56164 66405 49584 54813 46887 40252 37723 44824 22810 31110 59790 41555 29532 48469 44444 44539 48159 46806 52234 32294 46139 59622 46321 38666 43074 38202 52250 34708 202568 163817 142557 231116 205292 168626 184601 161795 130304 144929 134900 127472 155850 211851 211680 193458 155337 197462 162648 150392 172991 146154 160153 148007 171984 116292 191858 176037 168404 215289 226056 162200 163259 181125 178963 197824 56534 56558 48972 109653 130238 120497 tryptophan 4622 7382 5903 7229 7315 6454 3414 4818 8564 8414 4915 5448 9172 7237 5128 7656 2269 5901 7173 8032 4324 6592 9511 9106 8826 9482 5758 4466 6186 8702 7449 4559 6085 8854 6891 6601 19734 24058 21031 32009 29647 21369 31223 32109 29659 29277 22742 22159 26898 27034 31926 27551 26201 26643 23393 27389 37712 22811 34238 26102 30487 20518 31400 27793 27256 38122 34322 26460 22129 28280 28312 30856 8754 8135 5888 24082 13938 24741 triethanolamine 6577 6102 3573 7685 4439 3357 7398 3260 7437 1753 13719 4444 10274 12448 5849 18243 6559 4561 3440 1798 1821 1537 8435 6309 2454 5945 3971 4158 16983 1339 4936 3949 1677 3494 13674 1924 16598 15984 10009 6829 3326 9308 6298 7586 7284 10923 3404 90966 4523 7663 5521 3885 8516 15983 8626 5760 16171 9594 7546 8157 8998 6838 26866 10669 6207 9272 9566 19734 16345 15429 26836 26032 3454 2685 3678 18166 13004 13758 trans-4-hydroxyproline 4892 4029 2991 3731 2865 3354 2505 2491 2947 2515 2936 2594 3459 4391 3286 3487 3238 3864 3998 3557 4665 1790 1820 2256 3324 1527 4686 2979 2670 1555 3108 3399 4830 2220 5832 3216 16328 17998 24134 10630 14908 9065 16920 14907 8248 11243 2926 9147 9950 10468 11428 15034 8833 15959 17082 11616 15787 14251 18770 6217 8958 11322 14024 7889 9308 5603 11932 16096 17933 8395 11238 9168 2072 2419 2904 11747 14529 13861 tocopherol alpha- 1744 1582 1953 1379 2156 4585 4958 2476 1783 3202 2162 1004 4514 4488 1520 3236 3344 1602 1663 3854 1834 3697 2195 5230 1776 3426 1683 1397 1793 3764 3598 2386 1878 4170 1796 2735 2428 1020 1260 1633 1369 1174 1140 1353 733 2064 1502 1266 1341 1595 1666 2608 1094 4376 1419 1291 700 1421 1377 1886 1731 1412 1020 1242 884 798 1422 1465 1310 1453 1487 1173 3852 2733 3754 2227 3082 3001 threonine 70853 60692 61295 57285 65951 72851 55260 84929 81484 68399 95393 66345 76394 61058 58508 79058 74432 65921 84572 82042 77918 68777 59806 73666 69639 83971 78247 70069 62951 76981 98852 76678 100581 86192 83510 72843 30084 43905 54805 61562 53325 40559 44827 39568 40301 33942 21913 19044 32073 30233 36756 26348 39149 33557 52638 49281 47668 42752 49611 76854 46390 22515 38751 37666 46156 43313 64376 46169 51293 96900 53163 52879 65562 66773 56850 30851 25422 22716 threonic acid 17174 16292 12462 17724 12935 20347 15828 10441 9580 8501 14064 16240 8146 7671 13757 16472 15959 11497 13125 9092 16832 9905 9277 8706 14011 11529 15693 15894 13452 12850 12246 14192 16686 13924 16881 9644 3918 3802 6210 3552 4293 4826 5248 4654 5852 4231 6892 5772 4524 5690 452 4633 6432 5351 6669 6306 8521 5563 7254 4927 3826 4952 5377 5157 5321 6586 5140 4197 7221 5192 314 6977 26195 25246 29531 49739 60694 52149 terephthalic acid 89447 29375 17279 18390 17013 33776 21606 24619 40066 23170 22293 22677 19517 22238 30136 19743 35195 19895 33250 28664 27613 11178 22852 17992 23052 28442 22669 19073 21965 34124 30523 18842 25237 31115 37714 17978 55761 26774 34425 17380 13217 24427 49801 57244 33946 22845 24845 29107 35319 27949 37886 23170 12755 59857 13910 21849 55840 22788 44345 26338 16918 51003 17109 24377 16269 24900 25851 24155 43781 26307 29439 23677 17569 14009 16048 1841 67792 85936 taurine 2805780 3083492 3298897 2207225 2610955 1886660 2454409 3334850 2703785 2366210 3317254 1941292 2738563 2292422 2074377 2870580 3490045 2394596 3170377 3176702 1970750 3100399 2864290 2961480 2391739 2026341 2898089 3339629 2810310 2324484 3376045 3059525 2094495 3078041 1841903 3565953 167133 216266 126509 253296 127737 439625 126448 189767 178962 122839 43227 73734 68815 88749 71149 90706 234295 157176 649850 522201 433421 425168 253588 809433 36559 124664 238887 91491 172128 118473 1335549 95639 250080 772577 339662 387070 2437592 2513328 2680704 64233 34140 13827 sucrose 1085 911 712 2710 2170 2044 1483 924 953 795 1389 859 2625 2254 1234 3696 750 1488 869 867 1262 710 537 2168 908 3899 1258 1829 974 359 1560 1094 172 757 4760 785 4206 7757 3299 14859 2483 3698 7671 2638 9227 17958 2454 17982 5869 8242 4063 3814 32898 5650 2172 1675 2069 1769 2533 2141 1561 2338 245 4155 1101 3746 3394 2664 1811 4213 3476 3480 2272 1253 2133 6492 94393 89551 succinic acid 10246 8670 7478 8663 7711 10346 29347 10512 8874 7270 8070 10519 10422 10324 11364 9840 9539 11626 10167 4959 8897 8925 5511 7669 4824 5290 7644 6566 6713 9252 8505 6411 8273 9175 13701 9367 8574 13046 6309 19752 16626 10053 13799 18525 7640 5361 16481 15103 12805 4599 8144 11577 10717 20940 25121 52855 21280 17878 10014 4562 5480 18199 9816 16176 4660 21111 18957 21767 14587 15931 10811 3704 7181 8366 9397 11098 7724 8368 succinate semialdehyde 6911 6407 5524 4563 2528 1994 6373 4360 7324 8582 7675 11308 7904 8664 2374 5425 7378 5135 9333 2646 8669 2534 9393 9791 5510 11210 10689 9066 12720 6647 4244 6560 5323 4910 4769 7023 1817 2412 2589 2523 3096 2043 3102 2654 2625 2129 2136 2525 2616 2308 3151 1977 1754 2534 1593 1640 2725 1266 3622 818 2067 1541 1724 1858 2059 3260 3015 2572 2641 2259 1911 1558 1958 2805 2680 2396 3230 4408 suberic acid 1766 1265 1037 1594 1160 1392 1360 1053 1484 899 1327 1587 1171 1180 1203 1183 1145 843 1528 1091 2006 667 602 1340 1262 914 1939 1054 1155 1065 888 936 1312 1266 1661 683 1328 1256 1332 1204 1015 938 1618 1480 1552 1425 1038 1776 1080 1270 1402 1128 1204 1292 868 964 1246 731 3063 985 1008 1135 1108 1122 1116 1075 925 1148 1902 1579 1313 1389 834 738 829 1491 2162 2134 squalene 22970 13552 19154 15826 63440 11531 9990 7753 11048 15426 13306 5862 23571 33604 10674 20354 10114 328861 7890 14241 19904 13530 14105 16300 22267 12114 8081 22793 13411 14970 18908 18640 10455 12642 8957 10388 6934 4933 4635 2111 3507 4388 4924 7387 6819 5656 6318 9738 1703 7551 5401 4731 5470 6895 4615 3726 4608 5250 5070 5665 7283 3508 7688 6956 3095 5251 7500 6342 6515 4476 4951 808 30807 31222 38391 5796 8562 7863 sorbitol 6350 6195 3308 20697 49127 17750 29895 19963 22392 13284 9843 11112 13715 9802 16568 6045 5150 455087 10767 9749 12849 9776 11317 10625 7099 8513 8847 4381 11547 6000 11051 15904 20655 9840 17529 14543 38290 26260 17261 25504 48807 30303 9197 54762 59305 37409 22452 76954 35346 10540 45388 26154 30498 40755 18822 25535 32509 6410 17983 32135 28660 21998 36254 37912 22274 30438 37794 10734 39108 22705 29400 15842 12577 13151 14129 45998 44636 39400 sophorose 169 99 100 191 60 149 140 79 204 99 104 163 117 163 165 120 148 101 115 168 178 101 53 78 103 134 128 108 143 100 97 103 158 154 145 140 1827 3662 5368 8557 7289 3366 6671 1303 4295 4231 2242 3910 5118 2427 3397 1852 3322 2902 3665 2624 4276 4418 904 2870 2489 1998 5302 3575 2438 7059 8778 2403 2926 1723 3147 3399 90 128 114 6958 3033 2920 shikimic acid 1478 1770 1281 1726 1319 1752 1361 1465 1803 1387 1672 2893 1394 1486 1622 2001 1274 1438 2438 1246 2583 1049 210 1326 1290 1558 2798 1179 1691 1445 1800 1062 1745 1505 2496 1205 4368 10740 22227 23711 22750 14338 4355 5028 3445 4277 3322 20206 15087 18027 11581 14676 20221 11681 5348 11243 5747 4432 7340 2587 8286 39940 12890 9093 4715 21279 9405 3382 4748 6273 3177 22018 878 1070 882 2101 1751 2093 serotonin 573 2249 568 1107 1811 917 558 755 1214 1010 708 415 1025 1422 530 904 448 944 549 896 438 653 786 956 716 1876 731 443 502 694 917 768 711 1239 344 910 2581 3013 4065 1885 3020 2521 2059 2672 3751 2849 2998 3078 3316 2922 2582 2575 3100 3296 2354 2645 3413 3341 3741 1577 2447 3031 2666 2123 2033 2967 2488 3054 3388 2288 2382 2910 694 658 525 3518 3424 3672 serine 275767 244556 185894 318286 216324 344976 307174 240765 224712 227073 257516 220449 311969 297952 365677 317807 257579 287669 296553 325108 400002 271554 195678 263397 280919 311124 292145 261863 295993 275955 350885 284484 322587 296445 275319 215463 298117 448696 495076 449055 486695 398249 445667 354473 310054 299056 214567 327114 312729 342651 329850 218094 317769 356161 472584 382219 421286 326352 535070 268408 301543 330847 444763 346628 309670 389492 414374 372461 418733 465820 359762 424578 235315 273955 335752 349146 312443 307411 sedoheptulose 7-phosphate 1485 589 614 1005 620 1104 218 423 2118 669 672 1223 927 2101 861 312 713 206 1102 931 1251 303 489 675 1084 373 909 393 393 340 693 448 971 606 1088 491 9011 8225 10054 4698 9931 10849 10633 21629 7189 12459 15998 24578 21726 5176 18448 5276 9037 9170 13521 12658 9868 14214 19753 13608 20807 20231 13177 22319 16618 6218 7539 8714 12364 7734 9287 12235 972 867 372 10726 2351 9900 ribulose-5-phosphate 3829 2280 1399 2449 518 1184 383 448 6863 1979 1155 2035 1045 1709 694 1005 665 853 1982 1726 1113 329 691 1208 1830 925 3702 1005 1135 1294 640 1344 1687 886 3621 1106 455 482 735 229 575 509 460 724 567 821 759 1438 1449 608 1025 314 807 320 470 597 1136 760 996 621 1691 812 528 967 1096 437 297 860 684 322 644 1387 457 350 331 110 200 190 ribose-5-phosphate 4049 2370 1209 1945 846 1256 823 893 8241 1922 960 2081 1404 3172 1547 1110 1038 736 1924 1151 927 742 1205 1525 2645 995 3572 1678 964 930 854 1469 1985 1228 3375 1189 777 1028 1138 479 1212 1123 1060 2359 1499 1333 955 1648 2117 909 1255 1039 1580 1246 915 1003 1429 1457 1333 1009 888 1465 951 1800 1539 1277 1217 1874 1735 865 1272 1113 852 770 822 1210 1127 1055 ribose 7270 5439 5534 8253 4239 5644 4275 3512 2932 1182 5333 6640 4629 6788 1797 4995 7044 1788 5006 7050 7909 4424 5514 5424 6551 5753 10045 5324 3781 5842 3421 5022 4870 4927 6166 6260 34513 26972 62711 60602 61695 30124 61967 39985 43115 56341 36878 37514 65926 64063 58938 51691 49117 44944 33196 32139 48142 38276 34372 27464 38586 33481 41866 50289 39855 57564 59356 39153 48037 38596 39370 41593 5228 6213 7195 6239 6292 5522 ribonic acid 499 486 438 313 529 355 610 247 682 541 242 351 306 904 473 347 459 403 599 556 506 294 379 260 413 268 735 285 356 240 280 375 319 241 763 502 6697 8728 12197 12870 12309 879 15218 8990 8439 9199 6705 7540 10766 13645 9988 9483 9415 10520 12849 10643 14906 10106 10568 8294 7540 6985 11235 7285 6808 17553 22626 7395 9204 9078 11057 10910 1794 1922 1898 87815 99548 95679 ribitol 11952 7826 13919 5663 1049 926 1681 1355 11117 9468 1399 8627 1650 12957 2043 935 2145 1693 9172 7639 10059 1009 1501 10705 10732 790 21402 806 1856 1959 1266 8703 6654 6274 12004 1479 4958 5212 10657 19029 11077 3947 4255 4694 5652 6386 3466 4038 305 6666 6643 6888 5825 6400 5526 3946 4813 4595 3909 2083 3043 3205 6579 5336 3740 7534 10223 4451 5711 5561 3643 3917 8021 8755 9266 7382 5265 5098 raffinose 912 803 374 386 356 246 287 118 2364 309 348 333 475 618 296 271 261 158 1154 584 318 114 172 573 794 123 260 182 159 176 512 273 753 336 797 254 5524 20144 9162 21773 97890 28338 11740 11097 26671 16646 9947 23157 8944 3915 23593 3270 33820 11240 50523 22827 10265 40425 22480 61537 64105 12145 52636 38101 60803 10532 10431 19676 46581 38285 57091 41845 525 294 283 41576 12489 3590 pyrophosphate 223163 267848 323931 322267 326312 282352 271368 201652 190637 250310 158802 255107 189624 430818 296010 244771 262169 223174 278135 228594 422990 220155 237551 258411 220185 175784 296473 266287 176620 235368 254632 324417 247411 158897 427080 344190 456596 517190 557363 161677 229882 366108 452573 931669 556826 590165 979125 784230 942426 553275 623637 619168 386371 532283 381095 447078 650166 544341 908869 376494 334054 1058504 500419 635996 402920 784386 524242 626273 412881 239101 274475 341448 309318 494098 571543 582220 702251 769022 putrescine 4466 5132 4906 5440 7744 5166 6116 5941 5138 5242 5103 5782 4659 3970 5156 6027 6530 11757 4534 5289 4922 7096 6763 5779 4390 5175 4597 4726 4928 6516 5384 4499 4622 6911 5911 6715 2453 1506 12906 1119 667 1754 2366 2698 3061 2061 1419 2362 1500 2889 1997 1517 1376 1763 1542 1753 2166 1558 1797 1238 3570 1251 1025 1354 1544 1308 3031 1922 2657 1913 956 2392 4059 4874 4585 1759 1896 1613 pseudo uridine 1494 3287 1545 2421 2383 1785 1637 844 5851 2703 1624 2901 1920 2618 2356 1165 1702 1635 3073 1919 2865 2216 2447 1841 3376 1966 2244 1838 2009 2039 1800 1535 2931 1532 2110 2204 2078 2961 2739 1965 2877 1998 2641 2499 2993 2535 2623 1888 1655 2533 3524 2060 3635 2135 2904 2332 3567 2609 3266 2556 2523 3139 2478 2137 2039 2529 2532 1779 3270 2144 1652 3750 1715 2350 2723 4064 2988 3250 proline 26546 13460 13875 44000 27534 41973 27886 53515 28957 20276 40594 27147 31099 20140 17963 20946 22683 19830 29059 31132 14721 19773 13473 15977 16828 19002 5765 12368 14754 16108 34832 17276 27235 31287 23192 25589 138547 95395 93421 112231 79225 120615 64798 58533 56508 46143 24410 27128 38120 47124 58304 102715 70673 114904 93678 79344 104588 76264 70729 212673 94669 45358 66347 42276 81037 69184 126023 59591 105000 301219 98208 121510 17486 11951 13195 57998 55423 45803 pipecolinic acid 2279 2352 1196 1196 1455 1246 1009 1773 1498 1281 1548 1374 1496 987 946 1914 2211 1462 2347 1829 1685 868 979 889 1343 1110 2120 1193 1126 807 1856 775 1882 1619 2344 2488 956 599 851 540 581 612 916 851 676 757 1083 941 787 814 843 844 612 980 697 647 837 616 976 1363 2113 689 631 725 1015 622 723 634 954 1746 778 848 999 971 777 2285 2204 1978 pinitol 1332 1261 1226 1455 1039 1402 1866 1590 1404 1484 1401 1319 1438 1797 1941 4686 1681 1194 970 1244 1281 1031 1156 1304 766 775 1246 895 830 275 803 967 1222 1168 1237 1693 2548 2415 2983 1732 2234 1691 6155 3214 2955 2539 1616 2047 1695 1758 1428 1474 1465 1713 2909 1902 2812 1742 2160 1610 1162 1214 1481 919 767 1255 2894 854 2700 3326 2283 3132 627 1325 1454 2491 1497 1445 phosphogluconic acid 2657 2215 1658 1811 1848 1580 1013 745 2908 1266 993 1598 921 1650 710 1153 1176 960 2602 1342 2417 1312 1825 1508 2334 1192 3328 1521 1519 1804 1381 1678 1281 1158 2767 1268 2739 475 2913 1962 2178 3843 4117 1828 2798 2430 5862 2328 404 3458 3176 3271 470 3393 2334 1696 3419 2155 2852 1726 2987 3309 3338 3933 5335 1313 2348 1672 4076 3083 1137 1132 2640 2575 2369 4408 4673 4584 phosphoethanolamine 23559 22747 22515 25919 22709 21421 13006 12421 23131 13654 10662 27583 13264 29680 18005 14473 20041 9059 19709 12443 23546 11174 14158 7125 26907 14581 24847 19349 18414 18281 15019 17304 18303 12543 27349 12129 23532 30955 30417 7570 10809 13087 22624 22073 19354 18254 20805 19166 29510 38025 22467 29123 19189 26234 15110 16485 31745 10608 29119 13308 15341 18417 19918 21920 7438 30712 36725 84031 25703 15034 14850 26032 14904 12220 20351 13549 23418 24577 phosphoenolpyruvate 2733 3148 2216 2260 5252 2023 1714 1424 9892 8243 632 3562 2436 1345 1530 2531 887 12536 5503 3694 4026 10723 14073 770 7510 14182 7028 1631 3320 9864 2614 1090 2101 5553 3946 1986 2020 1794 1868 720 1495 566 2351 2674 1525 4097 3469 3133 2187 4672 1625 2047 1016 4000 2818 3536 5012 1550 7497 677 2358 2255 3633 1730 3838 3686 640 1804 2337 2530 1032 990 684 8148 812 3238 1901 1629 phosphate 1475882 1404780 1474216 1267800 1258515 1314344 984372 897683 1353377 1186449 983503 1042553 987803 1513237 1242099 960448 1209554 788462 1268162 1367231 1669820 1016295 1058964 1182653 1063860 983047 1399677 1218283 1217409 1252086 1099301 1402508 1441034 1094242 1788125 1254044 1253428 1127739 1310822 833550 1196806 1175251 1263761 1313730 1290327 1220070 1036644 1172414 1347991 1362830 1267500 1380684 1417954 1391912 1204366 1175327 1270736 1273163 1542726 1138409 1026074 1298752 1185996 1349477 1131137 942526 1304892 1324124 1476015 857247 1213669 1340306 1151437 1211325 1278916 1409720 1384798 1399062 phenylalanine 21092 3991 13192 33164 14717 23454 17971 23278 14160 16923 22827 14930 22352 10695 19703 21575 16782 15988 13936 23830 11830 17630 16217 15620 7871 19593 12683 12526 10322 15796 18496 9852 21459 23108 14088 18434 64662 66552 82069 73707 93100 53865 90240 56827 62835 78036 79809 73479 90838 73474 94344 75102 66329 77526 58976 68392 49539 55793 77783 58878 74398 46799 68583 86748 72653 67954 86985 72564 65706 72571 67316 76174 17611 17638 13932 47992 58578 52383 phenol 39438 44478 41014 49364 42227 58263 59386 43680 45322 40509 42126 48578 39841 48771 59179 41115 44945 35694 46928 42138 70294 38223 33473 43625 39745 38281 59440 47143 45334 37460 41134 47992 44254 39370 55709 47111 41723 38483 43321 47133 41099 38005 35793 48723 46665 44348 47242 49679 51847 44415 55810 48638 49410 60676 39175 41729 51552 46385 58251 32630 37113 47130 40249 46320 45902 40769 39998 40288 47922 40512 45130 35610 34773 37351 45261 39401 32307 46420 pentono-gamma-lactone 1113 603 634 474 681 735 779 519 641 598 381 1019 523 477 648 645 400 985 578 666 778 637 588 508 547 562 1132 752 716 607 496 727 644 599 681 480 902 667 886 473 588 383 645 858 603 605 521 312 375 431 518 402 644 378 800 487 973 528 451 328 426 421 531 340 387 997 802 440 739 436 417 498 428 645 561 517 1028 1015 pentadecanoic acid isomer 340744 557500 356252 848222 422170 337048 434396 536412 645962 289566 458010 682917 632192 791315 928578 431605 593515 176761 644222 396210 435094 451185 456205 394058 913890 380075 466652 401470 551348 609679 477084 411844 552842 487104 671990 318005 4485328 3683339 4656576 4169918 3690146 3849411 4403023 5111860 5155199 5272384 5856240 3720556 5223329 4900764 5237527 4378048 4346937 5672213 3808540 4156099 601294 3986691 971586 3740523 4795276 4435142 1526824 4731887 4808313 3345985 3420489 3990414 6004309 5087132 4978389 4466803 508232 550820 592564 3903127 5901383 5310661 pentadecanoic acid 80231 62327 31309 44086 204908 36498 33165 29391 43185 23548 48288 41600 56592 58561 34996 49318 25080 918955 40880 27890 91024 23122 25642 42175 50228 32336 44506 45282 43248 27692 37692 37533 30735 33869 88382 24549 120233 186218 132019 136335 158528 120471 131143 207810 202723 186480 156268 207536 171959 165032 180876 130744 198012 181240 116776 127894 145425 137611 180222 130871 140852 155666 179368 159546 144199 138177 189955 158563 159595 150832 144981 126129 37278 40078 42246 152507 147854 135693 parabanic acid 10692 7869 6980 9085 7130 10144 9204 7334 6944 4447 7373 8192 6852 7973 8945 9053 9154 9483 8873 7297 15397 5877 5148 6697 7076 5001 10814 8132 7042 6033 6232 8643 8657 7389 14596 8042 7696 7102 8225 5862 5925 6519 7305 8609 7385 6810 5602 5558 6078 9122 6498 8730 6780 8471 6782 6726 8792 6138 8401 5715 5135 6611 6370 5875 6197 6031 14064 5908 9748 8483 5991 6843 6432 7773 7750 6791 8706 7257 pantothenic acid 12160 11712 17332 11425 15912 15099 15483 10903 13918 10285 8641 11666 9870 8187 14317 10685 14210 9819 10875 10722 15208 11186 10686 10867 9822 11248 12286 15401 13132 11108 13551 15545 15073 9264 13050 13669 3208 3204 3073 1603 3056 2465 2684 2630 1185 2787 2299 2449 2708 1471 1903 3810 2347 4867 2339 2083 3914 1758 2629 2042 1555 2360 1322 1867 1812 2576 3307 2113 899 701 2762 1218 12649 13083 14381 2775 2918 2385 panose 909 1273 870 1847 839 1235 938 980 2470 1044 744 2121 669 4087 1906 906 1106 818 1524 876 1344 567 733 1003 1363 423 504 352 514 489 1387 976 1436 839 1672 872 13302 86229 60524 40151 63649 17547 77498 55281 68184 42735 21075 46863 66916 24208 58823 14904 21445 14597 48129 44255 36251 55054 33879 44407 43418 41821 52949 60198 31320 32881 55210 72840 54540 27862 26213 48308 1035 1273 1272 39183 21213 24543 palmitoleic acid 1124 800 591 874 10925 649 943 630 1000 1027 1230 721 1016 2723 1319 1738 740 38685 841 1454 2730 1973 1032 1501 1344 2121 995 1733 1697 1424 991 1168 770 1144 1848 1048 1665 9455 2221 8735 8611 1692 4127 4636 8519 6248 2015 5242 6500 2553 4691 3695 2233 4429 4878 3578 4674 7369 1804 2814 2301 2714 10072 5353 4872 10345 3961 29449 2548 3725 4311 1556 947 1476 1640 19468 8915 8787 palmitic acid overloaded 260884 173781 159836 188159 238261 253107 211622 173653 232383 174688 228794 185620 245799 289986 228424 252868 206076 798798 203186 236032 280806 167679 146340 199769 172099 179919 197429 174670 193027 155591 201083 182747 203770 184715 288072 141562 238771 326805 224210 235633 260427 212188 324970 265526 333207 267687 226326 290799 298384 295625 281488 241400 229378 311049 219455 177394 233087 196023 209840 181422 167492 178644 272635 216737 223517 352906 252548 686307 286134 263857 248862 195734 190148 193771 198849 669038 618011 605468 oxoproline 4961403 4593252 4789668 5388128 4687444 6511747 6840630 4357963 4377402 5342035 4445108 4846289 4988345 4491398 7347975 5506278 5776880 4176207 4980071 5139968 4840004 5359355 5058523 5125196 4852595 5432784 5761022 5205932 4753837 5145123 4543545 4907184 5276377 5040367 4726604 5026947 1813976 2979116 2989033 2576038 2532115 3348739 2739894 3791065 3269217 2459054 1961704 2579813 2531442 2543010 2377121 1649975 3273371 2259318 3398281 3049504 4426175 2721383 3842085 3799783 2226616 2795768 4224732 2329411 2576130 3739335 3361178 1992336 2852498 2712158 2623792 3146834 4972483 5449376 5750874 2358235 1622348 1580038 ornithine 15077 11523 10834 11685 8525 10921 8033 11671 10148 13362 12919 11456 15170 11745 12173 14088 12804 11175 14324 2851 7432 14727 17117 16337 13814 15834 12319 12410 12550 15257 13440 11053 11767 11778 11010 9500 59600 43671 37368 11381 32365 38479 25267 33592 25794 11877 22016 20449 18087 13716 26501 24255 24737 25422 44028 31175 31848 29153 22930 17876 41304 23653 28175 23638 22289 17088 36281 16177 29893 12434 19788 20657 13887 13281 10808 13716 10279 9962 oleic acid 11447 10686 17056 26389 22505 29949 18661 22471 23771 29698 36180 19316 22297 46088 23543 24188 25910 57464 18582 36186 35398 31435 25648 28893 22409 40278 23403 27154 32425 32615 24413 23062 17884 33287 15756 21087 18579 45872 15390 33965 39304 12091 29885 21467 41257 37947 15340 28259 39826 19610 25619 19575 11253 25652 26202 13927 21966 26209 11233 14912 13189 13318 37529 20929 25033 55368 23150 151063 14494 21880 24053 14755 32513 33782 35300 98083 55886 49220 oleamide 23034 1793 18190 17152 29001 12494 3252 4212 16202 21022 18605 8219 12667 17975 15679 13905 17650 11906 11205 15817 17177 21805 18592 11815 13883 10846 18542 12423 19560 16753 22724 12999 14424 10872 24561 4225 46551 20591 36483 15276 19788 26705 29698 24451 35293 25488 3727 34343 25243 33454 8365 31322 27167 32611 32802 20388 23663 23286 34633 24765 26763 15728 35270 31782 19199 19285 23113 32063 34832 23976 21072 26856 20219 15608 22445 37375 14265 14311 noradrenaline 806 819 2315 2884 1464 2598 2607 3303 2156 2663 1790 1723 1770 6186 2853 2435 2206 2220 629 1587 1204 3740 3853 2073 1393 2324 994 1647 1544 2702 2246 3226 1291 1830 424 2523 4941 614 1101 267 1002 216 2379 402 3677 685 259 299 288 373 402 338 358 596 168 478 1587 1080 3052 127 492 489 3258 803 149 646 444 1878 5226 1547 286 576 175 113 163 27263 19310 18242 nonadecanoic acid 7651 5944 958 4736 9953 5585 4546 4074 6513 4721 5682 6704 6509 7246 1991 5093 4795 34177 9025 7837 9465 5542 4902 7069 6940 6777 6624 4720 6153 6133 7687 5789 5118 7144 4819 3607 3299 5295 4336 4122 4714 3513 3286 5167 3633 4930 2953 5095 3261 4614 4383 3417 3987 4929 3289 2685 3777 3120 4604 3962 2542 3347 3444 3656 3056 4000 5414 6178 4143 5084 4972 2203 6244 5815 6543 29842 32104 31698 N-methyl-UMP 20469 14499 10746 3239 17716 20861 13398 5699 19740 8801 6510 9217 7991 6971 15685 8849 9396 4721 11367 4423 11337 345 7853 4170 12935 6213 979 7748 7220 3026 11754 10578 12969 4599 13614 7314 38704 28328 35752 9079 46905 37997 41317 54339 59445 59462 61323 65448 60109 40463 60331 40476 67998 44125 51423 49442 52041 58437 77981 61397 53194 59603 82363 83700 78171 88936 48378 59339 55634 26667 59653 50286 15693 16035 14558 125001 117432 105004 nicotinic acid 3175 3093 2004 1949 2317 1910 1777 1579 1587 1585 1488 2799 1485 1977 1703 1087 1737 1467 2779 1474 1941 1130 826 1447 1720 1075 3856 2034 1642 1331 1560 2170 2619 1347 3579 1618 1622 705 1368 970 1066 1157 824 1461 1601 1556 1612 1441 1815 1845 1346 1514 1142 1452 701 1357 1697 1108 1808 1035 1415 1547 768 1558 1500 1730 1199 1383 1723 1085 931 987 978 1312 1701 1845 2051 1641 nicotinamide 289758 276730 356114 293998 261297 365274 328388 284417 338207 330105 285877 343111 287706 332166 459350 306906 335659 312481 344079 326605 417531 358486 350766 356466 309022 345974 358207 352310 324325 260662 235876 332889 274340 312677 305581 292702 200349 250687 203966 336515 361972 237521 167760 269769 244158 183285 107850 144387 178150 150738 169082 238312 310989 274418 277676 211775 282565 274939 230740 257267 173616 209451 319044 217636 188904 318415 419275 203680 222484 268518 242365 240476 289743 338405 384646 168390 161643 129491 N-alpha-acetyllysine 275 225 334 250 160 277 275 150 250 235 154 293 146 569 359 163 436 360 287 223 394 147 293 245 199 158 152 123 112 333 224 244 189 210 103 164 3617 3554 3476 1993 2474 2363 2562 3190 2662 3269 2370 1895 1898 2379 1907 3248 2697 2754 2827 1291 3598 3367 3096 2287 2395 2638 3514 2579 1766 2395 5655 3636 3488 1612 2155 2637 144 133 193 3206 2924 2731 N-acetylneuraminic acid 684 627 704 839 858 628 641 520 809 685 464 798 481 697 825 498 646 521 390 452 962 611 622 572 625 531 670 642 549 620 613 587 136 478 849 673 1325 1484 770 1049 1125 1062 1583 1315 1323 2147 1616 1636 1327 1551 1289 1831 314 2015 1140 1043 2204 717 1473 1462 1015 975 1482 1733 683 511 1929 1619 1427 1196 1285 2048 951 1191 1334 1613 6494 6177 N-acetylmethionine 2358 1435 2541 2524 2732 3151 1645 1346 3062 2564 1100 3120 2855 955 1264 2989 3513 2588 2835 3162 3132 2350 2038 2948 2578 2481 2789 2590 3037 3114 2573 1040 3614 3408 3130 2358 1983 2115 2274 2699 2589 2035 2415 1596 1445 2282 1255 1088 1972 3063 2358 2640 2198 2658 2465 2001 2764 2035 1888 2031 1425 1343 2355 1490 1503 2490 3291 2158 2456 2642 1891 2531 1443 1481 1521 1193 1433 1304 N-acetylmannosamine 308 437 310 398 453 364 303 331 276 351 328 409 345 409 329 593 289 378 295 409 565 310 293 309 330 270 422 416 707 823 277 226 176 394 383 315 2529 1825 2085 3752 3103 1703 3781 1734 6931 2327 1195 1328 1855 2949 2177 3516 1868 3026 1874 2125 2539 2086 1704 1546 933 1376 2279 1759 1481 1983 4180 1766 2224 2568 1852 2713 558 637 565 4045 1367 1926 N-acetylglycine 1201 2247 1625 1074 2704 821 471 576 791 693 548 2605 570 343 485 808 624 544 985 559 3400 475 375 540 1802 399 4419 1776 1980 384 707 2010 2978 426 4068 738 801 450 1221 1020 1201 266 917 1083 489 1193 785 1383 858 1135 967 1109 846 1069 1077 1010 761 1096 1339 800 687 1307 1451 1377 1037 1297 948 944 870 990 633 970 398 425 607 1321 1204 1273 N-acetylaspartic acid 1054 5274 5941 14823 3826 5119 5685 13353 6948 5017 14283 12664 1662 6267 1767 5880 4616 3496 7242 4245 5795 8261 11119 7291 11234 3480 6735 4491 9643 6746 5468 7052 2373 6835 6442 4422 1204 1773 988 407 840 820 1761 836 717 1147 777 908 680 1248 605 1001 669 1899 901 979 4129 930 937 718 1056 1348 1045 760 862 2578 1176 1458 543 1305 1153 1167 7862 8031 8529 1115 3466 3129 myristic acid 12123 10729 5698 7141 39562 7416 8187 3082 7567 3194 8816 6114 8871 14264 7401 9766 6428 144024 6513 6671 15293 5335 5511 8400 9038 6683 7909 8295 7483 5496 5647 7215 4990 6902 10713 5037 10093 18805 8151 7087 8226 6073 10565 12412 11834 15281 7883 18592 10081 12034 9594 8534 10864 15529 7229 6864 8435 7570 11567 8224 6274 9767 12244 9459 7769 11227 14823 21749 9666 12879 10387 8651 7750 7415 8551 22776 22331 21258 myo-inositol 273486 271353 256712 252337 195617 216749 148980 181757 244978 164472 220268 235320 174412 499419 323898 201518 219080 176381 236808 170246 263821 225771 284626 218039 307242 194513 249134 243820 220830 244469 196450 210677 224142 230671 241050 195341 200912 225693 193306 151174 244163 177579 190257 169020 183335 209153 158772 171069 199957 232423 233435 260315 259930 305795 201672 156755 347240 238196 233509 191661 262559 209038 219563 203925 236070 275650 343917 215489 215320 296165 228669 241141 233567 258981 271032 269764 294312 283353 montanic acid 43056 1726 1444 1218 1244 1187 1278 1227 12145 817 1633 1420 2208 1528 1300 1611 1393 3274 8164 3936 1710 693 773 1763 2089 936 1518 1073 1190 938 1354 986 2482 4633 2987 980 1129 712 1265 1251 1344 1176 989 961 1002 1699 865 1344 950 756 870 570 1219 1179 1108 1031 1119 1021 810 746 964 763 680 1112 1279 520 728 1091 1412 1315 1268 1355 922 1237 1053 1459 2131 3304 methylmalonic acid 42428 30418 31614 5388 27356 34157 25728 43264 39563 37798 46083 39494 36288 19189 10994 33170 44389 29693 36617 38955 17318 23569 27540 30686 35554 32971 29459 30306 31474 30032 35457 24246 40994 52539 41821 34759 37154 24019 28129 40309 29150 23369 31888 29029 26566 26958 30274 22854 25287 24239 33601 23859 30159 36724 25964 27864 32292 24106 27390 57261 57932 20700 21645 25200 47980 27383 29747 20773 27304 96804 32786 34234 29126 24257 13306 22439 30582 22739 methionine sulfoxide 27766 21044 12055 17453 22912 16481 9523 12064 23530 12994 12747 25244 7527 9499 9753 12856 8918 12402 31477 6805 16233 16155 14974 11804 8486 15232 32334 15076 10680 12262 25023 18194 25765 11599 35207 10235 23750 20642 24839 9525 17072 15660 17559 16463 16316 7556 11515 11598 4187 12008 17547 15621 15555 16228 16509 15459 15919 14910 17815 10523 16690 15507 5472 16473 16701 13237 18682 12490 21195 11708 16413 18305 12190 28217 13297 18667 12759 14455 methionine 4503 6296 13013 23417 23030 28599 25034 47297 28581 30426 31314 15172 35708 21834 25065 23069 19153 17241 18374 40655 12652 33615 27809 27189 19856 32026 7865 8961 14202 24309 40721 26189 23637 31328 3177 25425 52664 55915 74310 59250 68243 50007 69335 48231 40357 42069 25075 27385 44707 52533 48675 56538 56484 56306 57542 52237 71821 51885 52354 52139 43932 34906 58617 44303 40604 54119 95284 56464 42371 63399 52721 64406 20853 18370 17093 22076 12020 10907 methanolphosphate 4455 10798 7713 6068 7755 7270 9685 3899 6401 6183 9180 5004 8556 9495 7052 2987 8405 7497 9689 9961 9205 4897 5322 7927 8253 4974 10191 6259 7516 6302 8778 8459 10757 5336 14400 5360 6148 3904 7219 3238 4538 4182 6134 6308 58939 6948 6233 6268 5352 5245 1172 4918 5983 4329 5020 5190 3292 4109 8933 5229 6138 6868 5053 6294 6031 3761 4596 5641 7767 5437 6017 6063 7167 7360 8096 10615 155554 146769 melibiose 246 132 130 112 107 133 150 105 121 93 118 101 87 137 130 139 125 112 103 83 233 53 70 92 108 109 164 138 147 95 86 66 114 128 215 119 1335 732 627 1024 1099 747 553 758 766 1323 800 982 1342 894 1492 1277 1329 1359 1655 1246 1318 2152 2043 1511 1779 2135 1488 1919 1111 1115 1402 922 1318 849 865 868 108 114 105 1901 1324 1100 melezitose 195 210 232 230 173 378 225 157 202 209 206 271 170 451 208 225 243 184 305 222 336 153 155 182 194 141 297 148 160 123 230 175 308 178 306 202 928 7537 5233 3692 7759 2532 7426 5103 5202 3061 2357 2932 5623 1940 5469 1472 2267 1646 5063 3893 2910 6068 3252 5436 4703 3677 5196 5050 4416 2638 5687 5341 5375 3027 3278 4746 161 224 197 3926 2235 2476 mannose 983 7929 3205 6495 5361 4317 4862 7137 5426 7237 4877 8052 7954 5051 12449 5709 6197 3991 7166 5536 7242 5994 6117 3373 9869 3538 3849 4939 5352 5234 5305 3768 3321 3598 5949 4401 213229 354529 618365 630058 736918 344082 484065 508828 412199 503160 315227 370948 684229 308647 704375 237133 406726 351635 390297 441487 513021 456646 436733 466344 470009 397955 627849 503460 379331 336518 495752 300826 464684 365045 353713 414167 9424 6884 7314 279873 263518 251500 maltotriose 1438 1582 1133 3060 1459 1437 1143 1223 3791 1475 853 3385 1078 6609 2886 408 1660 313 1681 785 2011 826 1094 1460 1946 549 716 322 878 370 1892 1209 2238 1060 2531 1368 24481 167818 125489 73724 112761 40461 150469 111732 117831 72330 45267 77074 120659 42288 107165 25361 39902 25242 85752 79307 72026 113721 72150 78682 70269 82612 92324 117239 53641 58228 119199 137583 118736 49575 43421 85268 920 2168 1633 67620 37215 47594 maltose 20108 18312 13731 41553 15768 18758 16831 17403 43197 19132 20914 42825 15998 49650 37259 18801 24731 16388 22342 23555 28244 14817 16542 20722 22253 18060 14816 9929 15369 13499 19783 20646 28321 17197 22013 18924 322806 2280191 1087036 1391106 1536246 538723 1184663 777604 774518 714211 315969 666146 919109 677889 1016250 452910 562570 439274 766571 626724 774585 1006125 560653 695853 616738 545087 1114219 923121 642952 998117 1476856 2713088 1025638 643140 662674 741521 41234 31808 34308 1871137 783843 716592 malonic acid 1555 1545 576 1154 776 471 256 169 879 221 441 663 392 403 344 232 355 251 1361 247 1221 187 255 353 723 286 1674 527 74 252 370 363 912 290 1604 219 511 264 534 421 318 23 1191 318 495 257 566 202 608 497 417 348 390 217 379 180 309 161 368 34 263 353 332 569 526 315 153 218 592 24 412 477 392 382 173 579 355 631 malic acid 157682 140754 130230 167946 163045 152838 169179 134348 200786 146756 153301 199422 110792 129237 159368 126939 160738 104089 119922 113116 171081 105040 113987 145159 156680 111268 159826 111642 127026 152681 90780 133992 112581 95653 109130 107934 204802 273310 229280 35060 154641 300987 213554 231140 228320 106076 296852 174064 74552 155910 143782 322700 167421 234830 267080 228257 275544 132614 235910 151290 123951 137520 219596 68865 124739 90407 177138 122211 94707 174013 115990 161994 126736 140129 149541 187388 162060 158069 maleimide 7848 3611 5514 5543 17996 2286 2704 2741 4845 2873 3254 2988 2298 6316 3666 1738 3445 2761 7439 8879 6320 2314 2380 2298 4123 1724 5560 3282 3357 2272 2447 3414 3483 1891 8468 3724 1155 1340 1777 2154 980 2120 3169 7350 1776 1828 1325 1685 1894 2462 920 674 1868 692 2831 4116 3473 3218 6287 8513 7402 2358 2527 2264 6153 1819 5231 641 3889 4279 7976 7832 2349 2758 3126 796 3193 3887 maleic acid 631 490 375 406 471 446 532 336 468 303 331 468 338 315 470 299 532 392 520 320 838 331 221 264 434 209 752 426 375 303 184 364 513 272 997 411 2026 775 881 435 420 872 523 577 532 388 452 336 375 348 403 2453 777 4047 692 404 589 731 725 521 558 511 482 262 390 416 698 468 681 649 408 541 40 222 332 773 793 701 lyxose 3233 2701 3019 3197 2710 3177 1823 1548 3646 3089 2214 4180 1837 3456 2942 2314 3384 1710 2322 3193 4157 2747 3226 2961 3788 3164 5178 2605 3623 2901 2018 3152 2985 2492 2636 3668 6917 7051 5680 3253 6111 6433 4485 6566 7287 6322 2549 5154 6237 7156 4571 7903 8701 8474 8384 7482 8623 7273 6743 5912 4114 6224 9157 5221 3968 8635 9415 4687 6896 5539 5576 7021 2983 3589 3585 5779 11162 6391 lysine 16838 12350 9108 9226 4983 4838 4684 3489 12038 9903 5937 4775 6636 12691 5704 10930 3832 8739 8852 4371 5271 6475 10913 6409 13628 9578 20206 8411 4359 7420 6332 3678 7539 1857 14192 6925 278708 237823 279962 102790 187752 192769 183155 189680 184993 73327 92013 98672 120179 112156 211584 172755 171486 170240 186341 171622 159370 169402 185412 111584 189853 182924 164477 171993 175188 124484 192881 134951 246664 123694 182027 187549 9659 8689 7644 130548 80354 81032 linolenic acid 129 117 193 506 356 724 454 523 254 357 568 206 272 448 336 313 262 396 167 1063 420 468 344 619 297 631 211 282 178 215 501 364 315 464 147 310 301 571 323 479 509 360 664 561 832 707 358 392 734 342 589 505 287 529 425 276 336 478 257 561 275 305 670 480 395 1276 436 1903 308 395 401 189 545 550 443 1610 922 903 linoleic acid 3925 2750 13534 21019 10095 28684 14446 17403 10762 16970 26224 6571 13587 23460 16537 16645 18732 19002 6031 30691 19081 23868 21981 29664 11298 32911 4776 13163 15284 23954 19010 17135 9905 24449 3621 14632 7475 16376 7462 10613 17890 6869 13897 9629 17400 17632 5916 7893 19718 11765 13190 12471 6067 13840 12075 6075 10815 10221 4841 9202 6151 4641 14977 10010 9243 36340 13824 51014 7913 8675 9318 5258 25154 25261 27948 35920 20933 23081 lignoceric acid 16770 2247 1253 1218 4283 1197 2259 818 6354 1157 2024 1688 3204 1869 603 1557 1878 31738 3682 2161 2751 1065 1059 1448 2391 1385 1679 1581 1988 859 849 1398 721 2592 2879 824 2000 354 1475 943 1146 919 1548 1949 1654 1167 1761 2332 1385 1690 911 1095 1735 1822 1120 1143 1303 401 1831 1459 562 1462 219 1470 1657 1589 1304 1642 1741 996 917 1316 1225 1714 1234 2823 4004 3873 levoglucosan 1201 852 751 1227 970 944 1060 1076 2517 1119 827 1077 1309 962 1237 804 846 630 1823 940 1157 176 809 877 1201 483 947 662 653 516 974 804 1277 835 999 694 702 843 1161 1313 1040 1444 1499 1791 1405 1581 1179 1639 470 1209 2089 743 1469 1295 1534 1209 1522 1377 2020 2463 1349 1662 1712 1731 1078 1390 1034 4279 1311 1718 1143 1673 1028 845 906 1277 1602 1234 leucine 64514 218741 241026 402418 317719 296355 323176 395994 386048 290153 317636 405077 248028 276174 268663 183338 214503 170117 329923 292986 320235 296830 234554 228081 268716 263243 272646 221566 235467 186036 270735 274536 325563 339398 282215 284365 735331 628842 745448 841257 779728 672908 740099 638552 611462 554367 444289 417534 545071 645301 717327 681569 642080 662888 613381 643469 829545 616723 581592 716039 605303 457858 615619 612988 595837 642062 843909 555135 698294 966848 670999 763491 245165 271652 265345 415879 431411 419666 lauric acid 1629 2746 3336 3188 6181 2389 2290 3267 2246 2019 2517 2126 410 3104 2481 3380 2275 11648 2494 1650 3626 2786 1552 3367 2899 2514 1676 4025 2852 2239 2147 2517 780 1773 2252 2786 3710 2085 1305 1811 1510 1071 2440 4369 3324 3670 3764 3800 2694 3505 2705 2439 3284 2432 2376 1822 2588 1668 3867 1641 2950 2058 2423 2466 2111 1898 2567 2173 3093 1772 2627 1809 3729 3367 3822 5029 8169 8132 lactose 1914 3255 1247 3465 1600 2874 2148 2157 7468 1644 5007 2595 2479 3829 2982 6435 2959 3111 3720 1804 1211 659 1841 2607 2913 1506 2966 1052 2112 1275 6780 3849 5466 1905 3942 1428 28960 149988 100111 136858 106680 53590 50699 29321 24820 28837 14988 107345 62661 68391 33334 57704 85303 42057 63470 41178 27315 30159 36194 11266 36152 107293 51870 72688 29111 89632 77816 114407 31002 15422 31865 100100 1055 752 1105 31276 7371 11059 lactitol 135 102 79 216 70 145 103 106 100 89 115 188 131 199 138 127 152 105 5139 179 162 139 101 151 93 191 104 72 163 82 103 89 159 4335 103 115 2885 5852 7449 10652 9754 4243 9130 5324 5121 1594 2622 1614 6408 2002 3771 5361 4559 3680 4343 3935 6583 5046 1864 2336 3478 3354 6694 5045 3855 8552 12442 5970 6212 2672 4290 4113 86 131 98 7889 4127 3539 lactic acid 1872741 2519498 1983715 829234 2858474 1199720 3062012 2727121 561911 2617486 2426778 2796650 2246194 2135718 295960 2329713 372918 1881479 1152755 1128077 3222537 2555930 2456527 1431232 1381821 2696824 356828 2472900 2787989 2263315 2409524 2727566 2343753 2415558 2370483 2844681 1809718 1892926 1818367 2667447 2064915 1921726 1442842 2428016 2204320 1990013 1941716 2133668 2377630 2408950 2869626 2519554 2725275 3058221 1491999 2053693 2707444 2193566 2680928 1753794 1835499 2458653 2332273 2485513 2360907 2457991 2378409 2019039 2049233 300258 2108277 1674255 2070673 2059123 1592075 1901321 1487466 456774 lactamide 2976 3397 2675 4127 3680 3999 5143 3662 3453 3392 3439 3814 3124 3556 5417 3249 3560 2549 3821 3093 3740 3962 1349 3334 3098 3718 3566 3384 3661 2777 3086 4737 3433 3048 3845 3600 3356 4140 3289 3856 3808 2942 2729 3553 3334 3162 3117 3530 4133 4178 4818 4373 4523 4504 3424 3521 4866 4006 3683 2356 2630 3915 789 4017 2896 4062 4375 3412 3984 2307 3918 2876 2437 1527 4035 2543 2924 2640 isothreonic acid 848 694 588 996 805 877 806 716 648 533 658 887 568 742 822 799 616 605 793 529 919 691 649 711 689 590 935 608 609 486 624 703 804 539 921 710 1475 1499 1639 1645 1470 1026 1547 991 1688 1236 1424 1529 2018 1714 1909 1780 1567 1705 1853 919 1651 1984 2238 1182 936 2026 1807 1563 1727 1454 2301 1348 1585 1389 1511 1502 704 920 732 11992 19585 17437 isopalmitic acid 9743 11530 5422 7568 58140 6505 6032 4026 23383 3939 6198 6658 7827 10579 6593 8415 4852 177799 25480 24953 17493 4286 4618 7211 8537 5622 7105 8812 6741 4271 5734 7197 4588 23750 11590 4924 21658 26855 4387 20260 23779 30851 26865 25397 27012 7663 21523 13368 22078 32418 24499 25596 35471 30417 33998 30247 42423 31416 39913 39006 24068 25951 28596 20012 19070 25289 10807 26897 30423 30962 33478 35228 7175 5506 8329 10874 13670 10701 isomaltose 182 226 152 312 141 274 262 137 267 165 207 232 230 250 308 270 211 165 183 181 257 153 186 218 202 245 250 127 200 202 244 234 234 144 313 148 1833 2399 2614 3139 3235 1966 2864 2643 2324 3115 1768 1966 3086 2446 3108 2402 2446 2521 2687 1084 2798 2497 2309 2269 1756 1774 3238 2572 2102 3315 4035 1962 2984 814 2359 1921 196 232 226 2111 1496 1578 isoleucine 77470 81203 99548 108556 69819 76074 98398 115283 108751 101102 138082 112238 117237 117354 120481 87515 96349 82525 87050 87826 83907 93809 77346 86044 116040 115658 103571 91173 100358 72196 85760 73330 90249 121453 105364 99293 272155 226025 277347 413469 333125 229479 329283 278321 279195 247341 221636 193120 242368 266280 347495 197422 176283 194891 231005 273001 288360 229963 282858 250822 273337 208943 231184 266268 268948 285127 298930 149041 287359 408040 319717 329560 58676 89989 95556 163846 190682 179234 inositol-4-monophosphate 1376 790 1065 636 820 854 419 352 1125 761 495 769 346 1034 441 547 525 517 685 923 814 738 943 259 1224 591 1860 587 104 255 834 976 942 404 507 357 454 258 1675 1571 3254 2193 1499 661 1639 1960 2976 3071 359 988 837 2146 876 2851 2610 843 1952 1041 3233 2338 669 1467 1267 475 1535 1520 3306 1222 2568 1772 333 2373 1158 1863 1777 1508 981 2651 inosine 5-monophosphate 298863 267151 277457 160128 216894 201471 89704 69892 467117 191919 142026 210067 193000 236726 132107 200736 199764 122150 335674 334355 265779 120234 148518 278339 307819 155681 238012 158578 262818 258611 255806 201954 433017 332011 359324 171134 14000 12753 16089 14816 18405 12384 15789 16567 30396 33192 29080 39679 50089 28312 48647 15244 19235 32714 21089 18138 15079 24108 20205 14493 27030 47533 31314 37818 30633 100316 17942 15618 16517 24358 31435 16640 271312 212860 177879 37557 26610 23441 inosine 119661 134846 149701 174259 133290 166237 112452 95576 170755 138248 142084 198293 98064 148916 134108 133371 124964 86903 120826 148715 207876 130362 151335 155643 142724 184461 206766 136053 182693 160975 100188 105600 102682 127116 125188 128062 128320 118738 121829 98621 198757 79788 107502 136733 113128 145678 119982 159808 190011 270447 168044 167978 170916 129405 99250 105540 124734 120746 118884 72550 118598 102412 141548 183411 124309 149317 136933 118628 102958 96798 113228 150576 161944 167679 184904 167413 151738 142944 indole-3-propionic acid 4987 7742 6060 9307 8077 5327 4332 5106 9026 8782 6764 6175 8376 7721 5338 7743 2980 5708 7342 9127 4324 7321 9708 5228 10063 9828 6755 5474 6213 8825 7335 4015 6274 8033 7128 7340 20576 24170 21752 31659 26646 20917 30992 32461 30144 30897 20824 20123 22726 28144 33802 27392 26531 28584 24428 27055 37944 24535 35958 27895 30817 20904 30872 28377 27094 38575 34982 26460 22504 29605 29777 31050 9030 8260 5950 13011 6018 23686 indole-3-lactate 724 783 708 1077 1030 1118 1339 898 1294 900 875 1177 873 1435 1141 894 660 755 1160 1005 1153 994 1080 850 947 775 959 726 662 719 934 858 1251 984 1144 959 1305 1240 1102 1122 977 996 1117 1126 1254 1942 1109 1138 1343 1352 1370 1666 1494 1518 1128 1177 1601 1010 1512 1358 1029 1091 819 1417 1083 1271 1797 1288 1195 895 1364 1471 903 809 973 1069 1404 1305 icosenoic acid -to check 3669 2160 3799 3480 3369 4303 2657 3250 3064 1731 5752 2586 4415 7288 4542 4529 2594 2350 3190 5298 4152 1710 2604 4817 3679 2131 7133 4705 5572 6961 3104 3222 3314 4339 2674 2853 4450 5189 2814 3144 3755 2665 4081 2714 5089 4663 3324 4147 4621 2980 3768 3124 4346 4447 4504 2545 3218 3015 3739 3738 2773 3411 4583 2519 2999 2745 3035 9293 5077 3102 2946 3286 6993 6049 6423 9290 4925 4490 hypoxanthine 65840 60073 85393 94099 61600 84328 49577 47609 75835 60483 66171 87088 52450 90380 80030 74502 80706 49634 48380 70706 95006 50764 66703 55963 65899 76093 90895 57456 76109 58555 44970 54881 57188 59605 65189 78732 83021 61030 80951 78841 105265 48685 92021 65618 47505 67815 47391 60609 66628 114467 78456 87911 91944 70876 60028 64759 73553 58841 67159 47955 56903 55823 69440 81481 56442 77099 111451 86391 71013 68844 77396 103788 53960 59813 61582 69670 79810 73698 hypotaurine 11377 17425 49943 75420 47462 73970 150087 92118 35115 75579 41400 26311 53094 78827 148706 52828 79973 46300 17062 63985 39492 79783 76353 57228 42511 57428 16700 40697 53617 75264 41444 50021 27312 47389 9085 66468 227908 318182 941254 108923 65906 110483 279313 235220 191327 51771 23386 19679 45239 50434 25155 171622 117851 95548 261663 239451 304212 189029 154654 179520 40723 176096 58594 57793 19248 53409 557545 334527 649707 107315 46380 101059 56683 60362 79608 52142 18665 22645 hydroxycarbamate 470 527 365 1356 396 11513 5045 9608 507 3494 6933 517 6730 10259 9282 11286 11424 8602 415 5336 578 5194 735 4486 270 4133 1084 501 356 3626 6048 1272 433 4804 505 7331 3268 1281 3161 2941 555 1705 3693 3511 3296 2703 2130 1895 3155 3032 2648 816 1390 2221 1492 1892 3058 2248 2716 3728 2432 1845 1406 1607 844 1579 3592 2330 3670 4722 2310 3661 5106 6243 6391 1702 1824 3769 homoserine 1041 710 712 838 661 1119 539 1046 702 667 992 779 959 700 629 1106 957 857 1072 823 806 860 859 935 894 1110 808 824 723 511 1056 900 885 977 817 752 474 591 577 452 411 719 556 541 556 267 254 312 265 250 325 349 570 544 873 689 880 796 835 1610 924 575 720 271 805 606 861 367 616 1288 467 654 1261 1357 915 961 758 653 heptanoic acid 3233 3024 1788 2528 1805 1839 3033 1555 2486 1141 2278 2501 2275 2286 1728 2005 2130 2169 3745 1603 4143 1322 881 1440 1726 1234 4252 2476 1646 1061 1714 1742 2150 1864 3183 1551 2724 1609 2712 1675 1691 1559 2057 2568 2516 2477 2195 3203 2656 1336 2639 2165 1696 2786 1686 1418 2708 1435 1937 1410 1815 1697 1671 1877 2389 1397 1341 1268 2287 2127 1823 2422 1294 1440 1485 2092 4261 3093 heptadecanoic acid 56048 26990 18152 21998 59907 24617 23481 17398 33066 16906 27397 20248 29794 28813 20517 24739 17694 280495 30580 27734 44234 16523 16874 23662 25083 19428 28744 21603 21537 17626 23284 20107 23482 25289 42179 15490 24071 38510 25595 21949 26594 21160 25575 27481 26690 26592 19446 32938 24439 29549 27579 24180 26553 31735 21250 17438 22921 19664 5369 19920 17461 22741 26866 20422 21281 24632 32344 36856 28340 27349 24882 20167 22136 23034 24150 89345 97353 93752 gulonolactone 185 159 160 218 276 208 240 120 217 188 114 159 261 201 195 162 148 596 177 163 228 125 211 129 116 123 317 128 182 189 195 152 137 79 269 169 3902 4141 3429 2714 3221 4106 1959 2514 4935 4014 3027 3429 3716 2637 3242 3609 5024 1289 2614 3841 4346 3879 2173 1488 3588 3061 2708 3668 3924 4057 5660 4391 1029 2196 4412 3464 111 137 244 3850 2711 3079 guanosine 977 948 1234 947 937 800 489 687 812 931 907 754 1177 551 632 842 665 759 622 899 1023 770 737 879 699 775 1094 961 966 1258 678 552 615 758 758 549 1804 2719 1971 1532 2453 1521 1948 1695 1249 2882 2890 2226 1977 2386 2407 2848 1403 6193 2390 1904 2018 1984 2599 1008 1364 1901 3829 1512 1462 3373 2017 2345 1702 1736 1372 1864 1295 1354 1265 5688 1614 1573 glycolic acid 12801 11686 6315 6544 7278 7263 9062 2699 8499 2020 6137 10441 4710 7266 9703 5097 6898 5036 13080 4566 21185 6039 5896 5417 6666 4469 18910 6833 6377 5077 6515 8028 9577 5336 20016 4822 8248 6745 7252 5677 6528 5668 8126 8839 7396 7733 7054 10341 8693 8813 8110 7558 687 8811 6765 7110 9645 7493 12929 3988 5226 8674 6764 8039 6825 6883 6755 8135 11616 5608 6844 6403 7264 8237 10907 13793 11637 13502 glycine 214432 190571 253636 228626 167081 279110 182982 297565 195301 217745 232455 315191 224096 209829 204117 226349 259083 228260 236381 199325 177732 222239 228464 207236 219492 300199 193752 330270 253093 256781 223718 260026 209823 250075 234761 165356 596722 815880 875963 1057322 988653 822702 702286 875524 567201 651719 410203 540632 674663 650571 789526 621258 727867 863310 935330 876337 1038533 946509 909674 1014830 557660 916441 1011857 891060 664066 1010487 972585 1079235 722392 1276770 791620 726715 190363 191394 137801 636094 591314 553481 glycerol-alpha-phosphate 72870 67934 57011 52577 81501 91280 63259 55794 127723 52407 30813 36017 74010 54492 48310 33720 32397 37026 72490 25731 47341 41371 30669 49425 52806 21796 50695 34862 20390 37452 40889 22301 45740 40342 80448 27226 35736 39973 15615 11454 29079 26756 30008 129674 123002 85060 179757 140136 83739 39832 108542 45672 52527 88134 48646 60625 42499 65224 98152 62192 105085 102797 128764 113304 76569 53050 27575 67916 37901 49984 28147 29285 48172 44458 40601 71537 96122 93877 glycerol-3-galactoside 4837 431 291 823 719 699 526 491 9582 495 725 1135 622 993 688 621 559 760 8313 5235 992 460 498 835 7954 1373 10049 387 776 621 5472 355 459 3865 896 400 1358 2612 1955 2038 2186 1114 2367 1507 2667 2287 1075 1555 2236 2047 2256 2703 2113 2390 2274 1425 3730 1647 1081 1000 1086 1118 2969 1480 1386 5827 3305 1925 1268 1517 1490 745 665 585 704 12178 11783 10711 glycerol 215789 213544 290153 372320 315182 280955 252423 227908 271331 223956 378209 456992 270108 467692 314755 374089 284807 644612 280643 288821 609218 266556 262393 372615 244827 399675 369688 290784 423783 266916 199010 250474 200950 258765 439407 201535 353326 528178 294321 233268 396646 205667 359829 418279 576647 506408 152060 420757 192255 441163 289365 438027 369514 482188 346645 344409 614888 334651 259072 241595 247814 108060 497461 313508 284843 647555 272736 413551 193044 279959 443372 342274 282231 276734 220738 247198 274657 69427 glyceric acid 6084 5560 3887 6460 6705 6409 6049 4463 2980 3205 3957 5204 3204 3336 4073 2936 5155 471 8624 4079 12827 4112 1323 4184 4125 2514 7409 5412 5588 4258 5502 4129 6655 4748 10898 3160 5007 4318 5771 4023 2955 2880 4352 3343 3445 6008 4782 4703 4682 5571 4538 5663 2240 7397 4063 4299 5798 3774 6142 2700 1350 3957 4995 4236 2795 5701 2801 3914 4778 4558 3062 3694 18289 19421 25800 49440 57646 57686 glutathione 1427 1756 2507 2005 1648 2946 2191 1820 2432 2295 1410 1453 3325 3839 3400 2710 2696 2668 1751 1217 1548 2106 3374 2885 2369 3122 1636 1876 1858 3085 2702 1944 1895 2028 2397 2541 37748 64892 34778 44286 30285 92690 63646 101772 63514 31509 20920 25273 34110 26874 29789 57535 66865 96578 91547 57239 83611 48455 57107 84908 52429 45090 69034 17596 17481 27323 96509 28145 44497 58319 47419 59039 2936 2713 3050 31492 12164 16458 glutaric acid 771 570 471 671 481 206 415 413 632 84 210 559 425 515 381 547 469 336 403 542 645 43 326 487 533 368 798 471 543 125 646 425 508 477 924 394 1689 1069 870 777 523 958 1510 964 1209 1745 1066 1445 1423 1783 1058 1214 1296 1409 1940 1006 2825 1135 1125 573 961 1328 1105 1368 728 1076 2165 565 1397 1078 820 385 451 401 34 1662 1417 634 glutamine 51435 28561 18322 43934 28018 33931 19812 26297 26821 33811 31124 26945 38038 25690 18899 52671 14869 17705 52191 30885 17850 30633 25904 24439 27596 24845 45460 18551 19207 21142 29278 12748 43229 25839 42343 32376 26948 33704 47750 41750 16829 34214 34888 51675 55899 45272 70763 58375 59396 52714 57697 18525 44601 33556 37908 44429 47021 39586 52538 43553 109767 44571 45730 42567 38768 39986 29902 24246 32656 38340 29756 46106 23978 18022 15455 26662 36664 32909 glutamic acid 838787 587974 581999 656794 433332 525380 390038 622229 561269 736771 772000 567234 946924 591003 722838 835162 771825 674146 815442 791872 386325 881386 1050533 976663 809230 959570 637285 717448 744382 883999 740081 586052 683276 687251 567878 436426 458345 449236 394337 124915 239338 455579 327551 358611 214268 174486 231700 306732 167465 150579 171901 315211 252616 410855 537066 402575 506910 223964 366411 218243 190609 175426 431264 95947 119959 282967 333785 408260 327039 279191 231636 278178 781687 698764 605458 263674 209486 182092 glucuronic acid 541 559 369 703 794 535 693 570 633 469 494 769 831 1062 976 551 603 4423 425 463 560 303 468 285 462 342 678 320 429 420 412 438 506 388 547 527 9982 14024 25786 14077 14198 24618 25831 13303 10905 18251 15801 18058 35076 19148 25259 19945 28774 46812 38560 24543 34752 30642 25038 37613 40108 26476 55416 23893 30654 56069 41295 20798 48113 45749 26750 24666 574 522 514 5434 4670 4106 glucose-6-phosphate 3090 51294 5730 65570 48305 45167 18182 66204 444538 115366 11784 84560 39988 52537 57553 2052 5953 712 138948 12957 109340 12075 23965 86286 205874 10288 9665 4727 7495 3205 72834 6558 97001 4040 25246 4749 11323 27170 60583 15784 45104 37388 44268 57732 54606 43995 38962 62476 84732 9789 90505 12212 40518 20519 51908 52491 52607 61532 55207 52283 73514 66685 61253 49030 47870 23097 26496 20698 46155 21419 21370 56345 35959 53047 20895 39762 20016 13393 glucose-1-phosphate 558 7797 2329 9320 9748 6757 6365 9108 4143 14822 2795 18049 5484 6991 10149 1706 2194 1355 21604 2364 12103 8294 9550 7234 16250 2050 2726 1404 3045 2931 9246 2677 11738 2163 4701 2423 8996 7885 10384 10994 9642 13987 10793 23698 14454 21516 11145 18629 26518 9609 25392 13104 12827 8909 18895 17507 29146 21662 24857 38860 22998 24523 33744 18228 25320 24789 21677 6097 8251 17643 7837 17672 9071 11114 11413 15894 127974 8716 glucose 37262 66625 39951 101315 46418 37605 47225 60757 76659 31862 51881 81313 73601 91313 104615 47580 65717 80487 73041 44587 47522 48327 49908 46012 111059 45042 53333 41575 63509 66844 54494 43854 64851 57038 76268 35392 3158477 1797212 1189335 3342971 2872294 3020937 3233924 320972 4204959 3808561 4508834 4245585 2530166 3717989 3108059 3253927 3464054 3638437 2625069 3227547 3797643 3233654 3988369 2916026 3847650 2753948 2636819 3339105 2958719 2756256 855122 2199625 3740939 3067934 3205326 2706332 57874 64975 66666 2181877 2325560 2264203 gluconolactone 209 191 124 324 313 298 285 235 229 317 131 217 294 262 307 171 228 180 190 185 322 156 160 246 279 211 206 180 200 115 291 186 170 145 238 255 3789 4444 3655 6089 7073 4677 2957 2238 4333 4538 3328 3331 4215 5201 6531 3784 7226 7310 3826 2916 4491 4140 6859 3166 4569 2350 6936 4931 2416 4646 7339 5286 5051 4391 5001 4863 191 297 276 5917 3875 3101 gluconic acid 515 282 485 464 329 283 195 242 208 211 232 337 494 260 325 225 236 325 334 113 271 320 184 519 280 158 327 215 194 159 350 219 621 190 468 426 1114 1249 1001 1396 2548 702 1611 890 1193 1518 1813 1617 483 1255 1133 1558 1602 1821 1422 1698 968 1115 1666 787 777 1519 1605 1329 1747 1015 1262 948 1267 1258 1086 1206 307 488 231 9151 4910 4983 glucoheptulose 358 2639 215 1284 912 1288 507 739 17646 1449 684 1825 1418 1417 1544 294 262 137 4891 569 493 556 592 1527 4218 299 683 219 385 288 5302 462 5134 282 1293 161 1898 2667 2250 4214 3892 2866 2663 4250 2737 4907 1951 3807 4722 2897 4885 3587 3482 4700 2942 2884 2904 4590 3083 2724 2773 7025 3922 3493 3549 3012 3646 2842 2793 1952 2372 2745 703 541 197 15214 15494 13915 gamma-aminobutyric acid 3896 3311 4391 4653 2157 3954 3027 3818 2837 2246 7423 4159 5050 4274 4408 5423 4788 3782 4137 1762 1863 5873 4548 3548 3155 3269 3609 5658 5596 855 4418 3000 3116 4354 3202 3898 4161 3377 4605 2616 3368 2531 4001 3743 3790 2136 3900 3690 3898 7936 3834 3137 3238 2744 2763 2613 2884 7955 4043 8200 3332 6579 2665 3691 8777 2797 2372 3731 5232 10673 2740 3755 4440 5547 417 3066 4614 4343 galactose-6-phosphate 580 2026 195 766 543 1002 406 799 14219 1188 175 1373 831 579 301 285 167 123 4165 79 559 217 403 1295 2965 145 274 106 60 232 3911 168 4624 283 610 224 161 241 339 329 694 576 182 303 120 122 186 1189 802 265 679 302 560 322 432 340 127 155 334 68 369 280 371 366 341 100 132 188 145 278 224 292 241 244 113 230 767 614 galactose 239843 423894 254027 665483 306889 235979 308155 410090 515179 208945 342371 545687 492947 614488 730529 305345 442694 537674 502555 287538 311534 342341 349576 292611 759490 287090 340327 284568 423357 472902 354329 299700 410702 367697 496445 224962 4409119 2897774 4215444 3262690 2825033 3200535 4039948 4009946 1746233 4401412 4921425 5141735 4269330 4255833 2425545 3667609 3460807 489673 3002492 3435103 2110728 3222258 4721150 3101900 3972355 3573987 2714462 3846679 4009354 2680886 2663346 3309896 772514 365530 4167120 3792968 399800 432051 466958 3678214 3210427 5888484 galactonic acid 2648 2723 3508 3156 3183 3484 3723 2385 3167 2208 2255 2692 2180 2504 3513 3281 2980 2262 2849 2866 3496 2310 2530 2969 2790 2452 2899 2918 2937 2450 3057 3309 3275 2647 2578 3037 1159 1234 1042 1932 2533 978 900 1153 1010 1193 1641 1420 1065 1140 1295 1228 489 1763 1233 1394 956 903 1473 792 1058 1288 1477 1487 1646 871 1676 971 1460 1087 1010 1103 2596 2724 3117 8430 4976 4484 galactinol 186 188 220 174 136 173 167 165 245 93 170 162 208 334 286 175 138 233 124 105 178 144 133 136 211 134 207 146 148 123 136 174 233 232 313 222 1267 1355 1935 1588 2076 2787 1843 2245 1591 2018 1925 1601 2056 1838 2270 1904 1812 2097 1814 1458 1688 1794 2121 1325 1483 2396 1881 2324 1051 1636 2397 1879 2227 1772 1555 888 134 162 150 2657 4167 4281 fumaric acid 166042 121154 146385 118044 153793 103849 145112 83699 185678 126370 71756 156303 92579 93793 113511 118885 151734 101460 110260 100276 155166 84092 95488 111728 155407 92900 180623 101902 114180 112836 73668 124473 103425 75246 123726 93917 166986 177926 147505 31079 115212 196017 162128 175154 163368 79846 224423 121881 61434 115045 103301 226010 147901 190811 208179 168749 188514 101845 209154 120088 105649 122371 152607 61005 121475 70791 135749 104329 79575 125481 104860 139662 98151 109066 116719 141416 139370 129233 fucose 736 1283 642 573 645 854 441 381 1197 780 727 1224 936 461 664 494 1107 509 1652 310 1484 676 947 873 820 901 1606 593 1141 715 253 358 550 359 1988 666 575 370 1080 771 770 598 838 1100 1049 554 900 1145 1104 884 986 588 767 658 934 627 314 971 507 649 1430 531 770 838 802 709 937 675 616 329 360 687 516 385 544 790 616 722 fructose-6-phosphate 1795 20238 2160 20308 15960 17496 7729 14137 95158 19490 4703 27253 14738 12838 24924 1200 3172 398 42141 6822 22547 3642 8455 17280 38103 161 5107 2276 4039 1656 26193 2657 30724 2338 9118 2343 8465 16675 31302 6522 23414 13910 21160 8327 27760 22082 11705 16546 37494 10178 43439 11635 26689 15474 23115 25022 32714 25737 22272 19848 34770 23855 23973 26148 19398 23371 13062 14203 22515 10922 14170 31668 18919 15303 7635 11467 9806 14902 fructose 6952 7831 4448 11767 14258 15117 12374 10093 13965 7456 5114 11758 14247 7707 13821 8406 6237 6063 13656 7424 5122 6216 8168 9190 7685 7088 6683 5723 7855 4779 6333 8907 9652 8005 7377 5801 19710 38284 51402 57271 115520 29925 58974 62059 66644 52827 19807 39816 66981 28140 56180 21491 92635 39739 31467 46526 41164 39988 34366 41030 48306 38775 73159 47916 37500 22688 51107 27802 47233 30740 32188 42493 10374 9501 15121 60814 77862 73656 flavin adenine degr. 1143 151 161 91 104 1405 145 43 623 150 944 1022 1390 265 124 1583 1381 93 1093 1048 228 71 132 1124 174 1078 181 163 129 85 97 136 96 863 208 152 1297 1681 2101 2138 2370 1924 2955 1860 1991 1937 1510 1548 2218 2859 1729 2044 2088 2149 376 2091 3389 2175 2021 1813 1687 1479 2189 1011 1043 2718 4550 1639 2038 1931 2291 2317 251 287 193 1066 661 916 ethanolamine 72834 68227 52349 74931 49709 51252 30203 35789 52905 40871 55600 63640 42954 43325 32593 66872 48407 49543 62094 41275 52432 31258 35774 36817 53402 33448 64163 50829 54360 51762 41496 38777 43450 44625 79486 43955 77809 99431 138174 134903 111834 80715 105408 60432 61472 115202 53144 80930 166996 187943 111128 115351 94161 113706 99796 88222 224653 89925 85914 54515 95229 58866 155320 85472 81492 382263 130134 92190 103453 119840 87139 107658 53552 51312 34255 61501 64049 68417 erythronic acid lactone isomer 4850 3310 3831 1905 2934 3395 2970 2549 2623 2002 2884 3828 638 3276 4319 2393 3073 1925 3818 2329 4864 1777 2002 2200 3549 2243 2855 3597 3383 2756 2065 3162 3902 2133 4819 1904 1277 1240 1567 1167 1302 1220 1458 1387 1538 1304 1311 798 1394 741 1155 1221 1483 1584 1536 1565 1958 1445 1922 1071 442 1457 1309 1531 1609 1400 1372 1287 1758 1136 1438 1542 403 637 1198 696 699 705 erythritol 2106 2220 1820 2516 1762 1919 1902 1639 1825 1323 2176 2720 2357 2453 1960 1911 2109 14513 1376 1746 20643 1912 2008 2044 2488 1123 2173 1022 712 1560 1744 1776 1765 1642 2994 1844 3666 3826 3971 3705 3815 1973 2838 4643 4958 2528 3256 4000 3198 4389 4617 4292 4197 3201 2550 2844 3229 3625 3606 2456 2329 3187 3484 3374 3288 4897 3747 3028 3381 3491 2941 2935 1544 1219 936 4399 6287 5327 dihydrocholesterol 2240 1367 1752 1472 1960 1423 989 1007 2153 1263 1309 1345 1098 1851 1100 779 777 3941 1435 1298 1712 278 1173 1062 1627 1140 1894 1156 1060 1075 753 1612 1494 1110 863 1070 1195 1023 1264 975 1162 1026 1034 1755 1501 1124 1563 1696 1376 1031 1431 770 1763 1328 387 1238 829 1457 1599 1025 1088 1280 785 1371 1221 981 1423 1547 1561 1152 1463 1114 1128 1694 1710 3218 2892 2232 digalacturonic acid 529 190 196 254 472 20861 609 309 344 319 257 150 200 139 253 212 268 221 12733 11885 636 148 7853 372 283 123 712 308 130 394 327 101 445 216 557 224 1199 671 1223 416 804 1153 1316 1275 1207 1003 1308 1149 1334 977 1082 1029 963 2195 1186 1337 895 1191 1340 774 1625 1335 1144 2320 1168 996 450 918 787 1246 1285 1508 550 481 218 852 1313 1950 diethanolamine 1609 1367 1536 3935 1851 3282 1663 1473 1955 1202 2821 1642 1983 1031 3230 1749 3163 400 3241 1904 2959 1555 1059 929 1649 1613 2922 1906 1526 1343 4516 2935 2111 1464 2330 1304 5493 4484 4426 3306 3854 4020 4086 4601 3756 3733 3263 68206 3719 4269 3574 5543 5340 6430 3731 3890 6494 4084 6257 3180 2918 3969 5462 4535 3197 5978 4679 3936 5742 4179 4185 4722 1846 1968 1941 7916 7953 8669 dehydroascorbic acid 31280 33378 41979 17558 13527 10695 10409 24827 80877 52999 9429 21231 30069 75631 18955 15211 9211 9275 33443 24454 8477 21495 50430 19762 38159 9784 50408 16039 13853 19064 8925 22316 14308 15464 23634 25998 222508 272122 232752 251528 246788 279877 230259 326595 267289 276210 229445 249602 308959 257673 276165 309740 349126 400218 310132 288118 414064 277447 348432 333539 286002 269583 406412 263327 231393 266071 316536 229004 265295 299335 252584 239684 544 700 451 15182 16350 14817 dehydroabietic acid 13475 8625 28909 2298 9159 44839 17284 12697 19585 515 9330 5076 10951 28152 8860 10680 11464 10480 5992 5738 5523 4142 3748 888 17961 3490 3954 4460 5293 8197 6039 4089 49816 481 4912 6557 27684 18186 6128 15662 22320 16726 18867 26034 17471 23289 21438 32203 23941 24163 23702 20266 37676 23662 18649 11292 3334 5176 14490 845 11302 22542 8002 4047 12055 7688 15082 17740 50955 21598 25223 20289 9778 9855 11116 3807 4061 3160 cysteine 1613 1603 1436 1967 2348 1768 13742 1821 1195 2701 1197 647 2364 522 451 1497 1250 1326 1459 2840 430 1687 2478 1337 2768 1549 556 1041 1033 2229 2185 1401 1516 2323 363 2351 939 1679 663 887 665 1834 783 892 1463 659 5639 248 512 414 664 537 1292 335 1833 1854 3375 989 888 4989 1813 504 1381 554 2031 1237 2216 7737 899 6158 1511 3287 1770 3336 759 550 48254 46849 creatinine 722062 822472 823743 665565 647529 830352 652269 605287 899471 816973 760662 632666 802721 1247082 908697 960216 769437 736576 779497 1047641 830677 864763 990294 987601 801154 1001438 764373 654198 611232 858832 864007 868662 665756 765694 790219 1119427 17216 19008 10933 15516 23142 13752 23870 13080 22185 18667 11378 54321 22905 35044 11065 22541 12610 3810 10655 10083 20423 1130 15380 12191 23813 69148 25874 23179 29276 331955 19543 94183 13716 18123 19708 14793 1352319 1280762 1264441 40783 73446 69800 conduritol-beta-epoxide 1129 911 513 1208 700 1056 963 1045 1555 1220 892 1180 923 946 1698 2348 1190 863 880 248 1071 960 1124 1402 1051 624 1247 979 1164 872 1170 1012 1210 1166 1294 2011 2704 2661 2872 1531 2140 1362 4453 2879 3415 2296 1943 1776 1609 1364 1553 1723 2051 1809 2004 2723 2562 2191 2991 2143 1561 1577 1846 1542 1368 1192 3687 1712 2825 2343 2139 3349 981 1208 1148 2134 1075 954 citrulline 3028 3960 3029 3182 3159 2443 2367 1748 4225 2328 2365 4886 2018 3678 2438 3481 2080 1622 3050 2361 2829 3490 5257 3845 4200 4670 6882 3257 3467 4784 1909 1919 2382 2355 4620 2859 7933 8330 8878 3756 6252 8511 7569 10616 7684 8848 6650 7156 7353 8047 6715 7526 8585 8520 8551 8377 12566 7626 10467 9309 6620 7527 7966 7308 6098 8095 7452 7788 7536 5879 7832 9006 3376 3990 3096 7701 7593 7259 citric acid 347972 430627 341105 220723 231985 215698 114634 195561 306115 250268 109473 195768 191515 294432 301081 214733 340748 220556 277899 171703 194229 183534 306973 162025 379518 116024 560102 257922 127567 279785 230397 187615 313234 168787 428013 199075 139133 102247 87028 77841 130725 104787 135308 55537 35238 51496 79216 49667 94109 36379 53807 88337 106954 127956 131949 128019 118234 163024 98801 72271 54284 140815 142951 58306 76719 143197 203647 172733 119371 113598 143071 151157 245072 262041 275356 106332 66660 60439 cis-gondoic acid 566 479 755 456 526 393 428 469 576 663 730 522 632 1143 732 760 1084 1165 587 1100 858 1588 572 881 673 1756 2016 928 1314 1510 612 684 563 941 491 423 533 997 284 613 53 241 490 382 659 811 348 549 751 378 445 437 313 618 539 301 484 549 282 333 339 298 651 410 494 1067 471 2930 393 349 455 327 1104 1126 1404 1589 765 846 cholesterone 18912 16869 3460 1230 8194 333 199 176 19899 960 240 18189 254 357 335 262 187 451 18490 228 12264 277 340 191 8236 194 33051 2931 4604 231 343 4888 7942 281 17167 219 332 260 376 236 268 322 406 353 326 339 405 959 324 396 231 274 860 341 444 415 305 276 4881 269 413 717 271 685 3626 315 311 246 856 249 347 739 358 526 317 485 1271 1203 cholesterol 1021444 737293 1142469 1171235 988876 1135966 784694 661051 1114476 1038780 919657 665919 863057 1450675 789315 621185 844200 621643 641367 1018056 882302 999103 848895 1018725 1098884 782113 888669 976627 862081 1023290 1049227 1155634 940803 822444 820883 856033 1029420 733199 858249 630010 835608 766463 819838 943146 940007 976824 981061 919660 1023998 999610 913880 1041217 949282 1274865 861694 784011 920140 894766 1123565 801774 880670 913726 805971 1037135 783034 853705 887299 976097 1081217 843116 915627 954685 1280872 1442865 1565496 1996792 2740193 2545145 cerotinic acid 14939 640 748 490 1143 1047 704 464 3462 222 224 784 1679 778 523 817 701 9125 3433 1385 976 360 273 215 1047 489 657 592 765 746 645 540 1210 1393 999 390 260 364 476 548 498 609 243 586 242 184 420 841 270 825 144 311 509 604 295 490 408 476 429 362 510 327 529 401 458 425 361 181 638 476 517 471 307 367 538 926 1416 1278 caproic acid 33617 37316 14899 7730 4760 4466 8299 2933 32806 4695 4192 40120 4842 7033 5619 3064 6351 4870 50451 3499 73170 2844 2676 4192 16588 2420 87022 16062 16532 3111 4169 16389 21522 2743 81056 4215 7159 4446 10113 4136 4436 5520 5777 8135 6565 7929 6304 9668 8133 8587 7736 7148 5617 6738 3898 4194 8139 5495 19887 2978 3221 6977 3841 5906 5369 3552 3751 6271 8214 4202 5218 5888 2374 3427 5569 5236 17336 6598 campesterol 9817 727 7836 9584 10476 10620 5752 6093 11746 7389 8531 4352 7303 11626 7367 7137 8083 5865 7587 10229 8045 9826 8430 10812 11187 5555 452 7492 7041 6991 9039 9866 4046 4345 7928 6501 9830 7707 8121 4635 4621 6270 6111 11264 13483 13216 8232 8071 11570 8848 6456 9877 11100 10341 11600 7648 9880 10342 3586 9241 11037 10914 9908 7681 8471 6708 6359 8031 6976 5008 6877 4615 12368 12377 12967 18718 29958 18984 beta-sitosterol 3233 1836 2426 2933 2993 2627 2014 2152 2673 1154 2414 1696 2021 2424 1965 2061 2395 1753 1598 1910 2500 2293 1913 2192 1157 1572 2484 2209 1886 2193 2221 2372 2387 1608 1900 2077 2678 2854 2633 2178 3491 1665 3909 3282 4205 3757 2836 3547 3285 2562 2213 3070 2835 3884 3591 2682 2485 4400 3588 2728 3753 3013 2283 3583 3391 2232 3153 2040 4477 2654 3108 3090 2178 3404 1125 6519 7284 8644 beta-glycerolphosphate 1009 1043 745 622 783 837 621 593 1494 634 585 797 927 608 685 580 647 548 1194 797 738 323 378 771 786 571 1275 590 520 503 1005 582 946 863 844 588 969 587 910 1149 735 598 660 858 781 558 598 733 764 446 1045 985 759 456 1829 699 446 668 931 658 936 1108 1350 1009 819 894 395 903 768 613 717 221 569 517 506 925 1278 1240 beta-gentiobiose 9795 18843 16319 40220 20297 47666 32297 12097 17637 13488 10772 16414 12051 16545 41197 20554 19067 11405 11731 13426 19752 11906 13854 17657 11429 2603 18537 14042 12530 18312 15448 13021 14066 14301 19750 21002 1198 2134 1299 1024 1569 1016 1190 1312 1347 1415 1245 1461 1456 2944 1488 1171 1102 1022 1275 875 1427 1800 1482 1418 1324 1232 1748 1584 1163 2906 1873 2384 1680 2171 1127 995 11416 19941 22207 2153 1503 1499 beta-alanine 2555 3160 1861 5072 3328 3621 3652 3305 1930 1578 2549 2035 2891 3071 4962 4993 3513 2605 2622 3032 4268 2024 2880 2500 2557 1426 2719 1527 2091 2498 4526 1604 3700 2868 3410 3170 92593 73312 87789 34786 35630 35571 53449 48725 48028 29458 35050 29175 40258 51175 34431 104672 35358 63559 43374 47580 40657 43279 42608 17025 27818 52452 42569 36723 23852 37391 58547 43454 40380 27356 15188 26725 2183 2468 2860 29595 30478 36147 benzoic acid 157304 46291 94836 89706 124171 226217 231959 99798 82248 58967 88334 49163 75366 51211 132582 73113 181527 76458 69369 74769 92486 85208 49976 104533 39094 31398 55604 134599 68457 64220 66246 45502 117616 90347 100064 73219 78180 44512 90785 77882 91083 36496 66187 43301 52424 56432 51971 47717 40263 112642 49031 36163 58408 44420 72735 49790 45153 28306 54824 56478 35831 107824 73091 58463 24410 47955 43836 30734 79502 39884 58015 76839 46549 46545 51453 10220 15961 12785 behenic acid 24932 15096 27747 11412 5411 13278 4225 2278 8333 16895 10602 2645 4282 3913 4036 10455 10415 27520 6781 4676 4548 14899 1741 12508 6004 3002 19526 16747 2882 16855 2182 3108 5453 5183 13897 2039 3301 4169 3575 5850 10316 5288 3989 4783 1214 3820 3441 6345 3790 3440 4637 5105 3070 13272 8071 3364 3292 2668 3828 3560 4743 4787 7644 4494 3122 4394 3897 4071 4316 3746 5902 7296 17475 15981 4964 11329 8037 10742 azelaic acid 1223 1133 1310 920 1103 1262 1063 1393 706 862 1278 327 1058 467 982 1134 997 260 1577 764 2640 402 136 600 1035 346 2733 747 385 1162 1276 797 1521 1403 1787 1048 1489 1299 4199 1069 286 1014 1680 1361 1084 1570 784 1904 1101 1723 1059 269 992 1443 1025 1207 1358 450 2526 848 1064 313 1018 665 847 749 692 1118 1469 1495 1012 1355 738 316 688 1737 1944 2196 aspartic acid 259629 232609 182051 289022 215327 192247 233693 318681 126770 211409 393415 229997 254729 206275 277910 280456 228819 225380 256368 283939 146761 240190 260492 340749 243312 334485 209313 230516 249906 316332 300271 229126 266883 386810 134880 178559 373744 271680 223274 83382 146433 450012 276979 234038 146564 127060 307278 202790 127577 120150 117184 213325 128294 305710 413000 218014 241264 171315 264067 184755 148137 211218 271543 98993 186536 129470 145364 170204 142262 288003 146951 189236 266388 302396 250712 219112 202611 184618 asparagine 4868 4105 4465 8626 4365 8046 7657 4156 4531 5965 4775 14415 5225 3257 7531 10097 2927 3638 5036 6182 3925 23377 26136 7202 4604 5636 5415 16731 4414 5945 8496 4608 6861 4127 4706 11524 11782 13807 19095 16564 21775 13600 25894 14726 13313 13026 10867 10494 16078 14645 18437 14624 8783 11873 14032 12978 19409 7471 6615 14714 18020 10380 16324 14689 15416 14184 23620 13634 13221 13645 15388 17574 21503 19406 5142 8881 6211 7866 ascorbic acid 291 690 492 271 342 246 121 243 844 484 186 243 339 1061 273 759 285 298 392 277 232 761 711 367 409 194 566 186 404 220 411 811 479 246 617 283 7878 2239 9366 3278 2035 2204 9043 16621 15968 13025 13224 3059 14161 3700 1424 5473 2902 3166 1867 2486 11795 11788 12687 9138 11954 7145 1824 13152 11319 4748 1407 9683 11909 9600 10043 2998 59 373 123 7820 6428 5625 arachidonic acid 7291 4909 22107 28028 10595 27418 15318 20252 11642 30617 35923 3379 28109 37739 29855 33349 39570 24976 6267 33076 12245 32856 30066 33716 19990 45592 6987 23792 21119 42367 23721 18582 14019 33660 2844 19913 37746 37301 37524 44697 61355 24533 31154 24019 39878 40002 16060 19155 51850 39407 39690 55374 5883 71099 46644 20885 46371 35804 18886 23271 21977 17087 40114 17180 2478 64175 43849 69299 32590 34700 32593 26115 35039 34393 34109 78805 53661 50759 arachidic acid 41997 11077 11549 11632 18806 14744 10987 10382 23562 12192 15271 13072 19529 19253 16064 17433 13584 68151 16326 14541 15566 11551 9493 13445 16802 13369 14266 10867 14474 10986 13661 10656 12971 12320 21651 9372 12930 19080 14764 11511 14194 14372 15261 17437 16318 14866 14708 19255 13693 15068 17913 1872 17401 19024 13624 12468 15754 7165 17695 13311 11664 11999 14325 9905 10897 2783 12630 24162 18145 14626 15076 13742 13981 13482 14894 22032 36363 33875 arabitol 18696 1020 12217 7587 9397 2422 11802 10645 14599 12784 12435 13226 17836 8491 19575 16775 26295 17833 13999 2295 8061 13612 17713 16718 17054 3448 27874 14766 15867 6223 8282 11104 9108 9580 17754 12245 10505 9170 13649 5072 6565 11379 9667 6379 6276 5755 3774 4826 4111 4506 3516 6844 8093 8451 30303 9745 23905 8536 10262 4394 4837 5966 9205 5131 5640 5519 13753 6531 10713 6015 6986 6267 11027 11901 12384 7741 8699 8576 aminomalonic acid 5279 3537 5742 5536 5054 1982 4100 4750 2950 2471 4992 5142 2497 6276 4886 3521 2231 3519 748 4214 6095 3582 4877 3199 5599 5205 3921 5863 5429 6083 4248 5724 5042 4952 5925 1872 16056 21231 23006 16141 18727 18760 16689 25034 17319 17472 8551 8722 14474 15793 25957 15150 16292 21200 23001 18240 27726 19943 26971 17987 12177 21258 27951 22274 8316 25988 24721 28279 14656 3898 11178 8123 4436 5349 6126 17469 8513 19388 alpha-ketoglutarate 606 696 1786 792 1412 783 1299 1841 1969 3046 887 622 1203 1022 2026 840 2059 1055 931 1565 865 528 1908 1701 1695 975 725 815 1024 1331 821 606 869 911 814 648 1670 2248 2118 1017 1277 1617 1486 2454 1349 1388 4640 2351 1341 1245 1824 1358 2211 2428 1569 488 2299 1332 2100 1087 1351 1311 1741 1083 1433 1998 1855 1600 2284 1966 1670 1465 384 611 601 1024 1226 1073 alpha-aminoadipic acid 653 542 573 693 431 661 515 835 776 795 695 785 1021 1283 840 712 468 524 621 477 534 629 899 639 668 661 663 502 455 658 709 427 585 617 501 532 65494 45697 74015 3255 23702 52232 65765 27339 24372 11578 6916 5501 5033 13492 4976 10327 16127 11947 304227 62553 201245 32340 17614 6509 12335 26294 50861 10443 6593 11574 92880 18097 57378 13694 17483 8491 804 817 610 20934 4546 3310 alloxanoic acid 685 684 455 997 1573 825 551 710 397 446 712 1398 940 494 1025 432 526 464 923 796 1191 1079 1127 968 695 1098 521 829 1034 649 581 1079 1264 861 784 884 237 138 356 103 172 118 215 169 245 224 175 107 164 210 238 198 127 176 83 55 260 131 207 41 96 239 234 192 152 182 117 253 135 119 124 141 46 86 50 234 1358 1488 allantoic acid 547 466 398 242 206 295 309 274 361 298 313 248 350 409 274 630 370 310 353 324 413 296 353 352 421 353 401 325 338 127 311 367 320 398 293 331 25077 15678 22318 24083 30572 19752 20358 21948 22850 29341 15890 18314 17772 14524 1076 20552 19829 26860 22077 21416 22952 20849 22340 19525 20832 19800 27634 26400 10760 20454 18388 18041 17535 13562 18062 18752 783 380 359 13159 2515 6436 alanine 2171593 2220498 2121773 2551488 2341453 2348497 1271630 3025684 2790029 2469883 2512075 2719820 2371370 893977 1304769 2182279 2570973 2253015 2419427 2595476 1308240 1839093 2124512 2421799 2191918 2595321 2550950 1859694 2365402 2208784 2257481 1976138 2274927 2190422 1869459 2078007 3286784 2929280 1500107 2857253 2896858 3608900 1767121 1534811 1685943 1283011 1508585 1317400 1392072 1308461 2079889 3287306 1316784 2343108 2688786 2561389 2089714 2876843 886059 3037664 3236890 2911799 3172295 1698768 3424314 2323741 2074903 1260107 1877324 5897517 1885505 2274752 2026964 916437 828836 1965695 2191879 2101357 adipic acid 14146 5713 4391 7445 6687 7578 7892 4060 7229 4284 8274 6939 4091 6471 5543 5625 5677 4666 6950 3554 9145 4588 3052 5160 5480 4252 6280 4955 5061 4508 7755 5233 6627 5471 11163 3813 12578 12431 12025 9109 4444 9356 14578 15469 17532 14308 9417 14365 11025 14375 12059 10917 13877 14103 8502 7982 14612 6916 32946 9257 9699 9723 9632 10901 6906 11226 8002 7891 15746 11481 10289 12681 4856 2765 3972 15265 17583 17955 adenosine-5-monophosphate 112176 100827 66297 53626 67495 84290 52573 51080 105953 60464 41973 42794 80442 46151 57038 37349 41720 37484 94088 80887 60426 45361 46496 60924 91183 37389 94242 52092 40870 41665 72779 48121 84097 53019 92202 46261 26250 28358 23227 19354 27305 34382 20926 38820 34128 23969 27320 30899 30540 23223 27744 28167 38916 33203 40067 32336 31706 35913 34986 41030 37962 38095 42395 47490 42167 33206 29080 28405 36978 29474 42283 32411 66081 61595 66254 48505 50437 47729 adenosine 178910 89343 173115 70665 107684 81992 22147 61013 119124 103826 64371 33246 139520 32102 36443 63915 64029 94694 45091 43992 17679 91675 68562 75357 183795 48952 120823 100716 14784 106137 43183 39566 29039 56906 77526 5434 22202 23266 19656 9698 16657 20212 23331 17559 16719 20295 24373 17231 19642 15640 19564 25270 25090 74027 40589 24628 21257 18562 5956 15722 16821 22769 35178 15771 13720 16009 18737 13313 29334 2471 23138 27641 108386 97082 59162 55653 25756 25434 adenine 20071 16897 19401 16796 21903 17809 12980 13311 19202 15407 12418 15224 13853 12092 14601 13128 13663 11039 14664 14673 17782 13727 15147 15479 18415 13552 25075 16691 13344 14946 10273 14105 15210 11160 17771 10534 3483 5630 6051 5659 8427 7342 9101 19584 14254 11282 16048 15456 15394 8790 13729 6879 10252 9640 7509 6614 8450 8601 11089 11881 17296 14996 12720 12356 17256 12412 6043 6060 6874 6842 6810 7816 17505 20663 21929 12570 10188 11466 aconitic acid 1214 1107 843 649 690 800 2291 679 1115 732 401 621 586 787 1722 934 2432 702 1114 803 810 731 1145 631 951 750 1466 619 542 974 757 460 771 873 1403 1480 559 681 705 447 651 648 843 504 462 373 512 334 545 255 282 363 523 712 821 486 923 737 604 398 311 730 691 305 357 565 701 713 573 646 598 684 1125 1220 1274 897 558 636 6-Oxopiperidine-2-carboxylic acid 662 795 605 901 648 690 740 959 274 684 1097 620 1004 607 815 825 746 845 775 817 395 704 856 989 749 961 442 788 746 860 924 667 754 1140 627 610 3829 2985 4082 438 1221 3772 4412 2331 1621 1126 755 659 661 1041 6480 837 1244 1008 18293 4804 13480 2842 1671 1005 1051 2052 3326 880 587 1132 7227 1516 4514 1641 1480 1043 768 648 693 1597 1318 891 5-methoxytryptamine 573 2080 568 1156 1730 917 558 680 1089 988 708 415 1025 1518 530 904 448 944 549 896 438 877 736 956 716 1822 731 443 502 694 917 808 711 1239 344 910 2581 3066 4065 1542 2796 2658 2142 2891 3374 2800 3195 3078 3032 2306 2725 2708 2699 3296 2653 2966 3066 3225 3528 1291 2447 3134 2505 2262 1679 2836 2631 2951 3388 2288 2502 2843 652 658 525 3518 3424 3672 5'-deoxy-5'-methylthioadenosine 1729 1338 1697 1700 2078 2066 1579 1169 701 1516 1488 1230 1529 1763 1520 1253 1715 1178 756 1704 1583 774 1435 993 1642 1004 1374 736 1469 1352 1723 1568 1542 1435 1659 1622 2842 7669 4268 4788 6212 3854 6090 6811 6282 5673 5687 4350 5954 4732 5387 3864 4274 3635 4164 2385 4758 2823 5362 4505 5880 4985 8136 6196 4600 7136 5857 10185 4622 3446 2219 4343 1914 1987 2186 9892 6837 7774 5-aminovaleric acid 1278 871 1084 845 800 640 1125 1105 1163 1119 817 801 1081 926 1506 646 1210 568 836 598 753 796 826 759 1081 859 1089 605 680 1039 559 1007 681 653 1256 1131 2833 2043 3639 910 1944 1520 8304 3116 6685 3494 1598 2218 1465 2284 1212 1353 1364 1345 3333 3685 4337 2665 3889 3525 4412 2588 2510 1308 797 910 2725 1106 2721 1282 1435 1827 906 775 1015 2553 1372 1503 4-hydroxybutyric acid 5553 5712 7336 4044 2332 4997 6443 1873 4367 6621 7274 6403 6057 5386 5060 6939 6487 6852 7088 8965 7445 6226 5929 5715 4787 8671 4791 9704 12265 6228 3182 4326 3848 6242 4521 7620 905 986 1065 2026 1951 624 1213 1953 1974 1835 1716 1641 1951 1696 1639 1698 3528 2044 1179 1247 2699 915 1396 679 1237 763 1448 1288 1211 2449 2314 1689 1609 1096 1302 849 5374 5908 4575 1081 1042 1183 4-aminobutyric acid 355 309 242 363 195 283 300 215 322 302 442 198 374 530 108 337 296 429 245 310 467 135 243 252 295 228 260 223 264 240 305 156 233 255 328 144 2825 3586 5569 1745 4452 2372 4237 3700 3307 3826 3646 3215 2946 4219 3122 4934 4800 4071 2824 2071 1293 1674 2509 463 2716 2204 3574 2541 1443 7432 5123 4268 3246 1113 469 1559 202 169 519 3082 2204 2311 3-phosphoglycerate 807 1721 788 2235 1499 1176 1006 2154 2721 2109 2824 2013 793 3586 1271 770 608 936 7744 1692 2351 2266 1139 2844 1991 1160 1505 1230 1204 3002 3720 436 950 4362 2189 941 5399 7521 3408 2689 2110 1441 4275 5119 2239 9635 7008 9317 6792 11020 7078 6167 2729 9377 1033 6998 9438 7254 11797 1491 4023 5064 3907 4342 6371 11594 4214 4478 3474 7376 2299 5493 3338 3592 3003 7401 5080 2462 3-hydroxybutyric acid 31730 24370 30296 35245 23708 23511 40739 37609 35129 27437 20535 18738 26575 34350 58452 7800 43105 26293 20658 26258 32886 20135 27050 13844 24048 18628 38822 12421 16258 16981 17904 27411 6894 2952 37387 13417 61479 44091 55498 30789 44758 42578 51677 51022 50045 50698 34078 77997 11285 7157 25179 70190 55725 54640 46923 43509 47426 36267 54293 19848 23061 35213 42159 20096 18155 28920 36390 31048 42308 37497 40520 38846 16987 30601 41896 46269 37480 33018 3-hydroxy-3-methylglutaric acid 1401 1386 111 216 151 176 154 145 1031 151 132 144 101 170 125 180 158 174 1837 142 194 226 178 109 627 267 2746 104 146 118 237 121 81 133 215 156 356 212 204 135 200 228 438 352 320 380 311 370 259 223 192 207 216 246 205 222 318 212 459 108 277 199 284 212 246 197 251 240 335 440 203 325 152 148 127 255 346 377 3-aminoisobutyric acid 112 695 357 734 563 124 83 535 741 628 743 767 48 101 739 48 607 405 67 58 111 675 573 88 642 677 902 128 81 66 458 121 722 80 725 438 842 333 786 2917 146 194 623 402 209 388 157 239 362 256 71 842 2616 388 322 300 581 371 296 74 235 566 334 299 156 393 375 4774 408 2427 2295 2369 56 49 813 3456 365 384 3,6-anhydro-D-galactose 807 637 694 565 679 646 688 671 546 628 678 593 586 878 939 745 919 560 485 635 791 699 689 602 613 518 832 558 502 623 572 637 519 676 723 689 4828 5898 4860 4184 5857 3987 1454 5091 5136 4621 3423 3320 4671 4382 4309 4768 6487 5392 5385 5528 5919 6049 6900 1293 4521 5856 6164 5821 4631 5003 9366 5271 6174 4385 5357 4950 941 955 1048 120841 217479 203617 2-picolinic acid 2600 1776 1184 1357 1494 1643 1756 1155 1814 1162 1318 1889 1135 896 1772 1048 1633 1302 1744 1429 2612 965 677 1084 1483 688 3039 1668 1441 848 1178 1361 2224 1065 3235 905 1095 984 1223 562 1131 679 907 820 820 866 907 929 1025 1272 894 829 785 843 687 795 1007 821 1042 741 848 790 633 841 856 657 772 921 1088 1113 1074 1561 590 755 1050 921 1037 1381 2-monoolein 6750 3661 13742 37408 8085 54625 20731 26739 7404 30629 41646 14094 24649 37698 22531 22725 18343 15847 11607 5609 21946 42284 36099 47183 14720 50725 7944 33626 36067 63815 31493 19774 8116 46310 3735 14908 17410 124633 8934 31158 37741 8534 20067 17974 30258 50163 14507 29894 27258 14416 24721 20859 9193 37820 18919 10587 10455 18536 8044 9060 5493 7728 22994 4614 10436 33960 8007 538900 11999 26984 12206 6880 33272 44531 48786 83885 31483 27789 2-hydroxyvaleric acid 2849 2577 2154 4114 2208 2725 4192 3000 2410 2013 3114 2887 2665 2884 4617 3833 4479 2724 2753 3334 3701 2436 2406 3279 3022 2058 2756 2752 2467 2363 2798 2325 3971 4271 3616 3455 3467 2249 2952 3013 2284 2075 3079 1883 1871 2569 1474 2039 2287 2326 2188 3421 2291 3302 2140 1972 2316 1382 1772 2183 1474 1938 1855 1753 1664 2317 2424 2415 3471 3216 1924 2682 3428 4125 4212 1932 1188 2141 2-hydroxyglutaric acid 5310 7445 5050 6931 7268 7725 7564 6255 7185 8694 4678 7510 5815 5608 6651 9086 8305 5936 7156 6983 9043 7362 8537 9388 6247 6783 5558 7055 6687 8958 6385 5416 6073 7367 7569 10049 4955 6506 5456 4786 5593 5178 6910 8611 7448 9032 5286 7913 8578 6230 1609 6860 10414 9746 6640 7760 12626 7889 10300 6473 5030 7115 7028 7040 4440 7699 13614 10654 10706 4056 6486 6568 10278 10733 11720 7491 5247 5585 2-deoxytetronic acid 948 739 794 1037 1098 1197 1629 938 620 676 951 615 824 715 1141 839 1681 830 415 728 1253 521 682 758 760 411 767 948 894 763 886 620 1016 979 1244 680 1446 775 1281 982 903 896 1401 1086 1232 879 1145 1145 993 1105 927 929 888 1015 1047 983 520 942 1040 1045 950 727 1257 1162 997 669 916 1098 1360 1177 846 828 753 257 879 2006 2057 934 2-deoxypentitol 157 284 229 415 295 512 493 375 388 399 414 416 306 366 346 293 241 328 223 320 309 387 321 337 261 342 472 313 167 389 249 319 194 331 190 331 872 695 765 677 960 565 874 970 845 686 602 696 608 909 724 1029 787 922 639 941 981 667 984 751 780 609 716 639 597 653 1018 726 813 848 719 875 302 292 271 1078 871 920 2-aminobutyric acid 4753 4514 3364 5844 4812 6478 3810 6575 6388 3965 5776 6063 6287 3154 3146 5340 5526 4523 8814 6238 4000 3368 4443 5117 4617 4872 4540 4072 3836 4452 5957 3963 7584 5471 5003 4973 20830 17351 20975 8791 10431 16596 21039 14517 14848 10253 5140 5425 5325 6024 5934 20336 7811 27584 23295 13655 14905 11535 10814 19651 9875 9631 10322 5313 11975 9689 13521 12378 18260 27430 9178 9803 4238 3293 1933 9666 8350 8624 2,5-dihydroxypyrazine 10896 10940 11152 9955 17958 6251 4683 4552 17499 12570 5408 6682 5432 12696 5282 5663 3486 5352 10741 9995 9303 7990 11041 10012 12086 7360 17039 8893 9183 10293 11888 14830 10379 7092 11394 12754 68430 104677 135465 42210 111464 110959 114359 165934 130553 99428 87393 120065 115185 76806 97149 86430 129526 68406 138312 140583 231097 119134 161913 136680 86247 94304 143062 141011 87435 148474 126138 98973 114245 72015 112911 103483 17254 18836 16814 227592 61994 75438 2,3-dihydroxypyridine 2702 2281 1667 1560 1366 1554 1405 1205 1742 1107 981 1970 1062 1401 1536 1221 1514 1350 2599 895 2770 767 783 790 1608 808 2872 1702 1477 1058 624 1312 1981 1011 4142 1054 1385 1126 1400 958 963 908 1193 1318 1098 1065 1174 1370 945 1382 1247 1378 1065 1455 959 1157 1456 974 1260 803 1137 1082 1147 1152 968 1001 1031 1097 1205 1359 1168 980 800 831 1018 814 1009 1230 1-monostearin 9160 1473 5859 1475 2033 1794 1564 431 12718 12977 1138 2074 712 1263 1717 907 978 664 1581 501 12472 729 575 463 6396 1083 3158 1242 1278 3070 1287 805 1165 736 2313 428 1589 7197 1927 809 2013 1349 1752 2674 2003 3358 1395 3105 2161 9657 4648 1797 7983 1839 871 1210 1444 2765 6238 5809 5129 1921 1603 2817 1284 1164 1053 2814 8512 1403 1349 3997 2121 2553 2623 5054 4098 4304 1-monopalmitin 2843 1071 2305 1613 3060 2089 1527 1306 3729 4224 1783 2013 1448 2140 1687 1739 1448 2807 1874 1534 4924 1576 1367 1940 2630 2260 2602 1675 2403 2326 1805 1517 1264 1765 2673 855 1834 5660 966 1983 2293 1257 2133 2882 1998 3328 1401 2493 2594 4056 2778 2044 2776 2898 1796 1474 1922 1563 2577 2651 1667 839 2133 2555 1925 2992 2037 20963 1796 2178 1881 2131 2635 1571 3057 12152 5602 4737 1-monoolein 8114 9278 9337 21287 5887 30212 12122 23567 1751 14734 34361 5390 9474 8991 15306 21397 17879 22101 1276 18249 18092 25435 18667 24270 10319 32676 7526 17533 22764 30890 16988 10072 5517 28097 9850 3621 6126 42201 218173 32249 7472 106063 21136 2303 39052 38016 4369 135481 36112 15083 23988 102405 110107 10589 11447 8010 3625 5242 7922 129198 116655 113960 200576 185170 4641 3838 9239 290030 22327 14757 117648 144050 17010 23302 9938 298521 67284 65367 1-kestose 912 707 374 386 356 246 287 118 2061 309 348 333 475 618 296 271 261 158 858 332 318 114 172 573 612 123 260 182 159 176 512 273 753 336 363 254 4891 19493 7354 21424 98836 24284 10256 9664 26325 16463 9220 22974 8406 3551 23279 3134 33584 10942 51678 22394 9572 39921 21795 62343 67585 11563 53833 36131 61022 10374 10229 18405 44760 37301 57755 41186 332 294 283 42349 9449 6617 1,5-anhydroglucitol 9226 9275 10856 6747 9145 7165 6428 8836 10089 9543 7488 9076 8841 9037 9506 8521 10058 9181 10441 11156 14454 9897 10048 11158 11979 10017 10987 9936 11771 9984 9422 9025 7818 10114 4976 10351 8346 13106 13511 14658 14852 13481 12597 16596 12628 13035 10723 11338 12954 12633 12179 11086 16435 12550 18586 17532 23355 15834 19331 17362 13921 12806 17594 11999 12671 14280 20632 11954 16246 17228 12496 15543 8373 7860 9127 10802 13414 11413 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name ret.index quant mz BB id mass spec PubChem KEGG InChI Key xylulose 553450 173 31632 85:1861.0 86:702.0 87:1148.0 88:324.0 89:10095.0 90:1041.0 91:452.0 94:60.0 95:96.0 96:155.0 97:114.0 98:195.0 99:528.0 100:1225.0 101:2618.0 102:774.0 103:9082.0 104:930.0 106:381.0 108:16.0 109:127.0 110:14.0 111:327.0 112:10.0 113:567.0 114:3170.0 115:1092.0 116:1102.0 117:15978.0 118:1867.0 119:1700.0 120:3.0 125:55.0 126:826.0 128:264.0 129:1798.0 130:91.0 131:1527.0 132:491.0 133:5046.0 134:701.0 135:702.0 136:6.0 138:23.0 139:35.0 140:117.0 141:192.0 142:1927.0 143:502.0 144:243.0 145:139.0 147:24713.0 148:5028.0 149:2526.0 150:315.0 151:220.0 152:65.0 153:26.0 154:550.0 155:126.0 156:229.0 157:190.0 158:134.0 159:489.0 163:1175.0 164:44.0 165:68.0 166:65.0 167:36.0 168:213.0 169:140.0 170:31.0 171:1546.0 172:1120.0 173:8785.0 174:1555.0 175:664.0 176:105.0 177:250.0 178:554.0 179:28.0 180:36.0 181:14.0 183:52.0 184:333.0 185:51.0 186:216.0 187:29.0 188:320.0 189:626.0 190:179.0 191:151.0 192:102.0 193:67.0 194:3.0 196:14.0 198:154.0 199:323.0 200:305.0 201:773.0 202:842.0 203:501.0 204:973.0 205:9917.0 206:2401.0 207:662.0 208:84.0 210:108.0 211:29.0 212:18.0 214:161.0 216:100.0 218:34.0 220:4.0 221:172.0 222:37.0 226:43.0 228:1.0 229:573.0 230:121.0 231:97.0 232:499.0 233:91.0 235:27.0 236:10.0 240:52.0 241:22.0 242:171.0 244:64.0 246:28.0 248:11.0 255:29.0 256:9.0 257:221.0 258:12.0 259:66.0 260:85.0 261:68.0 262:334.0 263:3974.0 264:1269.0 265:391.0 266:19.0 269:40.0 270:19.0 271:7.0 274:9.0 280:44.0 281:11.0 282:48.0 285:7.0 286:20.0 287:19.0 288:212.0 289:27.0 290:6.0 296:8.0 299:16.0 300:38.0 301:44.0 302:122.0 305:16.0 311:18.0 317:43.0 318:72.0 325:6.0 329:4.0 332:1.0 333:198.0 334:153.0 335:141.0 336:141.0 338:1.0 343:10.0 345:15.0 348:2.0 351:57.0 356:19.0 358:19.0 360:171.0 361:16.0 364:291.0 365:143.0 366:142.0 367:13.0 368:1.0 373:12.0 374:13.0 375:137.0 377:47.0 378:3.0 380:8.0 387:36.0 390:6.0 392:8.0 395:5.0 396:4.0 397:13.0 402:6.0 411:4.0 413:6.0 418:4.0 421:16.0 425:2.0 429:12.0 431:12.0 432:6.0 436:31.0 441:7.0 444:20.0 452:45.0 453:79.0 454:20.0 467:33.0 468:1.0 477:3.0 483:5.0 484:29.0 489:2.0 490:24.0 495:4.0 500:2.0 439205 C00312 LQXVFWRQNMEDEE-PYHARJCCSA-N xylose 543267 103 169 86:77.0 87:118.0 89:838.0 90:80.0 91:46.0 94:19.0 96:63.0 98:48.0 99:37.0 100:186.0 101:192.0 102:469.0 103:7719.0 104:659.0 105:379.0 106:26.0 112:23.0 114:254.0 115:75.0 117:652.0 118:60.0 119:80.0 120:23.0 121:17.0 124:30.0 127:70.0 128:49.0 129:515.0 130:102.0 131:344.0 133:894.0 134:104.0 135:66.0 137:49.0 142:48.0 143:43.0 144:51.0 145:65.0 147:2699.0 148:283.0 149:250.0 151:31.0 155:21.0 158:31.0 160:567.0 161:97.0 163:88.0 165:32.0 167:13.0 168:66.0 169:21.0 170:22.0 172:28.0 174:40.0 175:84.0 177:32.0 186:30.0 189:592.0 190:92.0 191:136.0 192:37.0 204:193.0 205:153.0 206:45.0 216:30.0 217:2261.0 218:416.0 219:145.0 221:41.0 232:19.0 233:86.0 234:53.0 259:39.0 262:45.0 263:19.0 277:127.0 278:31.0 280:13.0 306:12.0 307:531.0 308:161.0 309:44.0 319:27.0 320:22.0 322:17.0 323:30.0 333:14.0 339:12.0 343:39.0 345:16.0 360:15.0 367:17.0 368:19.0 378:21.0 383:16.0 387:17.0 389:16.0 396:18.0 411:17.0 430:14.0 432:13.0 477:18.0 487:15.0 488:20.0 490:30.0 497:21.0 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N xylonolactone 535176 217 1808 86:6.0 88:17.0 89:5.0 101:53.0 103:590.0 104:3.0 107:94.0 109:11.0 115:14.0 117:33.0 119:41.0 129:448.0 131:202.0 132:16.0 133:173.0 134:3.0 135:35.0 141:31.0 142:3.0 143:208.0 144:4.0 145:90.0 147:1035.0 148:163.0 149:112.0 159:13.0 169:60.0 177:13.0 183:7.0 184:36.0 185:1.0 189:245.0 190:54.0 191:253.0 194:11.0 199:18.0 207:671.0 208:114.0 209:52.0 215:200.0 217:4500.0 218:698.0 219:375.0 220:23.0 221:213.0 222:17.0 225:14.0 230:96.0 231:24.0 243:82.0 244:37.0 250:13.0 259:24.0 266:5.0 268:23.0 271:2.0 275:192.0 276:28.0 291:12.0 309:8.0 328:6.0 331:1.0 333:24.0 340:2.0 343:9.0 346:19.0 353:11.0 355:71.0 356:11.0 379:12.0 381:1.0 388:5.0 401:20.0 403:17.0 437:16.0 472:22.0 475:1.0 500:14.0 439692 C02266 XXBSUZSONOQQGK-FLRLBIABSA-N xylonic acid isomer 590775 189 17400 87:564.0 88:73.0 89:616.0 90:65.0 95:13.0 96:2.0 97:6.0 101:667.0 102:1905.0 103:13800.0 104:1125.0 105:419.0 106:2.0 107:48.0 108:15.0 109:19.0 111:17.0 115:299.0 116:152.0 117:3134.0 118:129.0 119:150.0 124:13.0 126:7.0 129:1533.0 130:1170.0 131:2059.0 132:266.0 133:2726.0 134:507.0 139:7.0 141:287.0 142:32.0 143:1791.0 144:294.0 145:198.0 147:14316.0 148:1620.0 149:1099.0 150:198.0 151:73.0 152:197.0 153:123.0 154:61.0 155:170.0 156:5.0 157:558.0 158:39.0 159:33.0 161:21.0 163:80.0 165:112.0 167:25.0 169:120.0 171:117.0 173:71.0 174:23.0 175:301.0 177:67.0 178:21.0 179:88.0 184:30.0 185:136.0 189:2497.0 190:512.0 191:882.0 192:150.0 193:126.0 197:501.0 204:1444.0 205:1599.0 206:264.0 207:781.0 208:53.0 211:5.0 212:142.0 213:10.0 214:61.0 215:114.0 216:1.0 217:5302.0 218:940.0 219:582.0 220:112.0 221:836.0 222:171.0 223:117.0 227:4.0 231:80.0 236:15.0 237:1.0 241:2.0 257:348.0 258:33.0 259:51.0 265:64.0 267:5.0 277:678.0 278:210.0 279:48.0 280:8.0 289:10.0 291:193.0 292:6234.0 293:1816.0 294:850.0 295:136.0 299:3.0 303:47.0 305:841.0 306:177.0 307:991.0 308:269.0 309:25.0 319:110.0 320:21.0 321:54.0 331:321.0 332:98.0 333:865.0 334:248.0 335:66.0 341:39.0 345:27.0 346:12.0 347:100.0 348:38.0 349:23.0 355:10.0 357:3.0 373:1.0 376:2.0 390:5.0 393:27.0 394:1.0 404:5.0 411:16.0 421:144.0 422:25.0 423:4.0 445:1.0 477:4.0 481:8.0 10264 C02341 QXKAIJAYHKCRRA-UHFFFAOYSA-N xylitol 567437 217 5857 85:22.0 87:53.0 88:95.0 89:312.0 94:15.0 99:38.0 101:376.0 103:3875.0 104:345.0 105:78.0 107:25.0 108:24.0 110:68.0 113:18.0 115:63.0 116:117.0 117:1418.0 118:103.0 119:73.0 129:1604.0 130:163.0 131:367.0 132:26.0 133:712.0 135:29.0 142:33.0 143:88.0 147:3295.0 148:560.0 149:319.0 155:12.0 157:214.0 159:20.0 163:58.0 169:22.0 171:40.0 175:99.0 182:58.0 189:476.0 190:74.0 191:333.0 192:19.0 193:15.0 203:146.0 204:368.0 205:1143.0 206:235.0 207:58.0 208:31.0 213:9.0 217:3381.0 218:764.0 219:285.0 220:63.0 221:24.0 222:29.0 229:15.0 230:5.0 243:159.0 244:12.0 254:42.0 273:1.0 277:63.0 278:38.0 279:15.0 284:7.0 288:7.0 290:3.0 291:26.0 295:20.0 307:483.0 308:139.0 309:50.0 310:29.0 317:31.0 318:23.0 319:361.0 320:75.0 332:39.0 340:1.0 366:24.0 418:5.0 423:1.0 424:12.0 449:5.0 456:24.0 465:15.0 467:3.0 472:7.0 499:3.0 6912 C00379 HEBKCHPVOIAQTA-NGQZWQHPSA-N xanthosine 926133 325 104466 85:67.0 86:155.0 87:150.0 88:146.0 89:671.0 93:64.0 95:58.0 97:44.0 98:90.0 99:197.0 100:550.0 101:133.0 103:3879.0 105:225.0 110:78.0 111:54.0 112:11.0 113:368.0 115:260.0 116:324.0 117:679.0 119:186.0 122:27.0 123:48.0 125:93.0 127:190.0 129:1315.0 131:290.0 133:738.0 134:188.0 135:75.0 141:43.0 142:136.0 143:165.0 144:243.0 145:138.0 146:15.0 147:4210.0 148:264.0 149:485.0 153:108.0 154:74.0 155:91.0 157:331.0 158:221.0 160:31.0 163:49.0 164:64.0 166:59.0 169:572.0 170:148.0 171:112.0 172:81.0 173:121.0 174:134.0 177:42.0 181:26.0 187:44.0 189:221.0 191:191.0 192:31.0 196:49.0 198:13.0 207:229.0 210:34.0 213:24.0 215:91.0 217:1856.0 218:564.0 219:240.0 220:65.0 221:150.0 224:42.0 225:18.0 226:15.0 227:25.0 229:111.0 230:2064.0 231:485.0 232:181.0 233:61.0 234:53.0 237:121.0 238:108.0 241:23.0 242:31.0 243:706.0 244:233.0 245:1741.0 246:354.0 247:308.0 248:28.0 252:61.0 253:32.0 258:211.0 259:330.0 260:166.0 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450:324.0 451:290.0 452:337.0 453:246.0 454:623.0 455:6840.0 456:37602.0 457:20048.0 458:9669.0 459:3246.0 460:997.0 461:251.0 462:73.0 463:33.0 464:38.0 465:35.0 466:44.0 467:7.0 478:3.0 482:18.0 483:3.0 499:8.0 1175 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N urea 326574 189 3256 85:859.0 86:1343.0 87:2349.0 88:432.0 90:43.0 91:99.0 92:36.0 98:133.0 99:5452.0 100:6216.0 101:1289.0 102:803.0 103:149.0 107:195.0 110:309.0 111:554.0 113:326.0 114:765.0 115:629.0 116:182.0 117:375.0 118:388.0 126:44.0 127:542.0 129:155.0 130:2178.0 131:1631.0 132:1249.0 133:328.0 134:319.0 136:55.0 137:40.0 138:7.0 139:106.0 140:86.0 141:220.0 143:208.0 144:172.0 146:1945.0 147:24448.0 148:4280.0 149:1831.0 151:119.0 155:378.0 157:483.0 160:72.0 166:59.0 169:38.0 171:16373.0 172:2633.0 173:2446.0 181:85.0 183:84.0 184:456.0 185:58.0 186:860.0 187:128.0 188:248.0 189:9229.0 190:1672.0 191:671.0 196:25.0 204:236.0 207:6.0 229:8.0 231:42.0 247:14.0 271:11.0 277:9.0 278:14.0 309:1.0 316:22.0 322:5.0 327:11.0 331:1.0 333:36.0 339:21.0 344:7.0 385:9.0 403:16.0 404:11.0 432:51.0 434:14.0 460:6.0 462:3.0 471:9.0 481:1.0 498:11.0 500:4.0 1176 C00086 XSQUKJJJFZCRTK-UHFFFAOYSA-N uracil 385735 241 1664 85:23877.0 86:6864.0 87:3486.0 88:1560.0 89:1505.0 91:506.0 92:1505.0 94:764.0 95:4144.0 96:5848.0 97:5576.0 98:15495.0 99:393975.0 100:73814.0 101:20186.0 102:4727.0 103:6833.0 104:172.0 105:13750.0 106:1345.0 107:925.0 108:1437.0 109:10645.0 110:283.0 111:5609.0 112:2648.0 113:93747.0 114:5531.0 115:7598.0 116:2368.0 117:12999.0 118:2279.0 119:775.0 120:2223.0 122:686.0 123:297.0 124:2309.0 125:971.0 126:96222.0 127:13714.0 128:5451.0 129:2788.0 130:3939.0 131:33059.0 132:5690.0 133:18339.0 135:366.0 137:864.0 138:343.0 139:1665.0 140:2521.0 141:2370.0 142:2334.0 143:1476.0 144:1706.0 145:304.0 146:1049.0 147:252735.0 148:32857.0 149:14766.0 150:1778.0 151:18.0 152:369.0 153:5915.0 154:824.0 155:695.0 156:3746.0 157:6363.0 158:6364.0 159:1198.0 160:739.0 161:753.0 162:172.0 163:268.0 166:2358.0 167:4506.0 168:1438.0 169:7714.0 170:878.0 171:1030.0 172:1931.0 174:2587.0 175:677.0 176:59.0 178:578.0 180:688.0 181:2139.0 182:1820.0 183:6219.0 185:7086.0 186:25.0 187:1541.0 188:44.0 189:56.0 190:42.0 193:469.0 194:368.0 195:569.0 196:220.0 197:1311.0 198:1059.0 199:1694.0 200:285.0 202:118.0 204:525.0 208:197.0 210:120.0 211:1533.0 212:1996.0 213:1135.0 214:112.0 215:152.0 216:1.0 223:363.0 224:68.0 225:2995.0 226:616.0 227:523.0 230:77.0 232:5.0 239:9407.0 240:2558.0 241:213550.0 242:40343.0 243:15350.0 244:2774.0 245:264.0 246:51.0 247:101.0 248:214.0 251:74.0 253:391.0 254:263.0 255:105159.0 256:84474.0 257:23160.0 258:7429.0 259:1088.0 260:33.0 261:33.0 262:103.0 280:113.0 285:511.0 288:17.0 299:81.0 300:490.0 312:217.0 345:56.0 405:62.0 419:77.0 421:15.0 445:98.0 460:62.0 490:5.0 499:21.0 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N UDP-N-acetylglucosamine 625003 226 62293 85:4594.0 86:2434.0 87:5676.0 88:2426.0 89:22785.0 90:2257.0 91:1405.0 92:340.0 94:1847.0 96:6574.0 97:93.0 99:8137.0 100:9605.0 101:16140.0 102:6431.0 103:46004.0 104:4259.0 105:3285.0 106:541.0 108:3269.0 109:1371.0 110:1904.0 111:2899.0 112:2358.0 113:15201.0 114:6085.0 115:11835.0 116:17008.0 117:69042.0 118:8172.0 119:7805.0 120:768.0 121:286.0 122:1242.0 123:330.0 124:1545.0 125:766.0 126:1977.0 127:2556.0 128:8930.0 129:35102.0 130:7586.0 131:19763.0 132:5571.0 133:33557.0 134:4824.0 135:4564.0 136:2960.0 138:316.0 139:820.0 140:1653.0 141:1580.0 142:2035.0 143:11712.0 144:3889.0 145:3103.0 146:753.0 147:115694.0 148:17607.0 149:20826.0 150:4640.0 151:2055.0 152:1001.0 153:262.0 154:1127.0 155:1474.0 157:10675.0 158:7034.0 159:12586.0 160:7126.0 161:1737.0 162:872.0 163:9151.0 164:1674.0 165:856.0 166:673.0 168:3777.0 169:2599.0 170:12522.0 171:2356.0 172:1934.0 173:13204.0 174:4234.0 175:4212.0 176:769.0 177:4620.0 178:929.0 179:560.0 180:513.0 181:649.0 182:4727.0 184:4743.0 185:1943.0 186:1855.0 187:964.0 188:634.0 189:22851.0 190:4710.0 191:35362.0 192:6731.0 193:3431.0 194:891.0 195:174.0 196:3059.0 197:2003.0 198:10420.0 199:1828.0 200:1435.0 201:1841.0 202:6632.0 203:18946.0 204:31637.0 205:11280.0 206:3545.0 207:481.0 208:243.0 210:3738.0 211:2606.0 212:487.0 213:621.0 214:511.0 215:3451.0 216:1356.0 217:43066.0 218:39953.0 219:10755.0 220:3472.0 224:2907.0 225:249.0 226:23168.0 227:2788.0 228:902.0 229:975.0 230:3788.0 231:19588.0 232:4142.0 233:10930.0 234:2279.0 235:947.0 237:8.0 239:2776.0 240:917.0 241:488.0 242:613.0 243:1054.0 244:812.0 245:701.0 246:3647.0 247:728.0 248:367.0 249:68.0 250:40.0 254:151.0 255:347.0 257:707.0 258:1635.0 259:540.0 260:112.0 261:80.0 264:12.0 268:247.0 269:80.0 270:703.0 271:290.0 272:1353.0 273:507.0 274:838.0 275:793.0 276:107.0 277:66.0 280:48.0 283:7.0 284:518.0 285:231.0 286:632.0 287:399.0 288:419.0 289:166.0 291:258.0 296:15.0 298:163.0 300:3427.0 301:1447.0 302:447.0 303:147.0 304:81.0 305:209.0 306:69.0 307:67.0 313:170.0 314:1865.0 315:391.0 316:2581.0 317:893.0 318:3376.0 319:2285.0 320:860.0 321:418.0 322:79.0 323:64.0 324:1.0 328:36.0 329:8150.0 330:2007.0 331:864.0 332:223.0 335:5.0 337:27.0 345:41.0 358:31.0 359:24.0 364:43.0 371:21.0 376:27.0 377:11.0 379:9.0 380:26.0 381:10.0 382:6.0 392:14.0 397:15.0 403:102.0 404:1718.0 405:730.0 406:336.0 407:16.0 408:14.0 409:10.0 410:10.0 414:9.0 419:172.0 422:11.0 423:1.0 424:9.0 426:3.0 430:104.0 431:34.0 432:16.0 439:6.0 443:13.0 448:4.0 457:8.0 467:17.0 469:4.0 470:5.0 479:13.0 480:8.0 481:15.0 486:2.0 489:3.0 492:8.0 493:14.0 495:9.0 497:1.0 498:4.0 499:3.0 445675 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N tyrosine 671252 218 16 85:101.0 86:1059.0 87:458.0 89:659.0 90:823.0 91:1849.0 92:215.0 93:210.0 94:46.0 95:258.0 97:226.0 100:19804.0 101:2641.0 102:1366.0 103:1633.0 104:401.0 105:1066.0 107:424.0 113:79.0 115:546.0 116:116.0 117:900.0 118:715.0 119:703.0 120:181.0 121:365.0 123:63.0 124:32.0 125:60.0 128:317.0 129:136.0 130:2787.0 131:1381.0 132:2378.0 133:2406.0 135:1073.0 136:172.0 137:139.0 138:33.0 143:94.0 144:252.0 145:158.0 146:529.0 147:10139.0 148:2430.0 149:2353.0 150:476.0 151:422.0 152:115.0 155:37.0 157:84.0 159:227.0 160:438.0 161:90.0 162:242.0 163:1331.0 164:643.0 165:825.0 166:96.0 169:32.0 172:179.0 174:587.0 175:359.0 176:348.0 177:396.0 178:202.0 179:5455.0 180:1140.0 181:342.0 182:138.0 185:45.0 187:17.0 188:124.0 189:122.0 190:402.0 191:190.0 192:1175.0 193:407.0 194:72.0 195:66.0 196:16.0 197:40.0 202:114.0 203:494.0 204:170.0 206:77.0 207:709.0 208:34.0 209:152.0 210:62.0 212:13.0 216:31.0 218:45967.0 219:8644.0 220:3534.0 221:583.0 222:132.0 223:194.0 227:27.0 233:17.0 234:99.0 235:57.0 237:39.0 243:15.0 245:27.0 249:65.0 250:37.0 252:41.0 254:38.0 257:12.0 259:17.0 261:29.0 263:25.0 264:89.0 265:437.0 266:152.0 270:23.0 274:34.0 278:11.0 279:159.0 280:3024.0 281:509.0 282:52.0 283:76.0 284:7.0 285:27.0 287:28.0 290:38.0 292:141.0 303:18.0 308:31.0 318:26.0 323:43.0 324:39.0 328:22.0 330:21.0 334:25.0 335:30.0 345:20.0 348:7.0 353:42.0 354:686.0 355:345.0 356:187.0 357:73.0 358:53.0 359:18.0 364:52.0 366:59.0 367:39.0 368:41.0 369:20.0 370:17.0 371:40.0 372:25.0 376:41.0 377:30.0 379:22.0 380:36.0 381:55.0 382:278.0 383:92.0 384:26.0 385:40.0 391:21.0 398:10.0 400:21.0 418:43.0 419:35.0 423:25.0 424:41.0 426:26.0 438:53.0 440:18.0 442:36.0 464:34.0 466:24.0 474:19.0 476:15.0 483:16.0 484:13.0 6057 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N tryptophan 780482 202 14 86:650.0 87:425.0 89:261.0 100:3562.0 101:1584.0 102:1611.0 103:773.0 104:190.0 113:59.0 114:89.0 115:489.0 118:184.0 119:183.0 127:218.0 130:2243.0 131:264.0 132:923.0 133:652.0 144:250.0 145:420.0 146:217.0 147:2097.0 148:245.0 149:212.0 154:44.0 156:266.0 157:161.0 158:212.0 159:339.0 160:439.0 161:112.0 162:7.0 170:343.0 171:149.0 172:244.0 173:187.0 174:182.0 175:114.0 177:48.0 182:53.0 183:28.0 184:219.0 186:457.0 187:53.0 188:390.0 189:222.0 190:515.0 191:181.0 198:133.0 199:225.0 200:1444.0 201:360.0 202:50950.0 203:10013.0 204:2891.0 205:325.0 206:74.0 215:80.0 218:1837.0 219:230.0 220:101.0 230:420.0 233:23.0 238:22.0 239:30.0 240:24.0 241:38.0 242:41.0 247:44.0 250:35.0 251:30.0 264:60.0 266:15.0 272:45.0 280:28.0 282:40.0 290:39.0 291:2652.0 292:727.0 293:366.0 294:18.0 296:23.0 302:20.0 303:194.0 304:23.0 322:37.0 332:33.0 338:45.0 340:22.0 342:26.0 348:42.0 350:28.0 351:27.0 357:27.0 364:22.0 365:15.0 367:18.0 371:17.0 377:107.0 378:56.0 394:26.0 400:29.0 405:86.0 406:64.0 419:24.0 424:18.0 429:27.0 433:18.0 438:28.0 442:26.0 449:17.0 451:25.0 459:35.0 465:14.0 494:23.0 495:13.0 496:19.0 500:23.0 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N triethanolamine 531892 262 360127 86:138.0 87:112.0 88:200.0 89:143.0 90:31.0 100:424.0 101:577.0 102:101.0 103:464.0 104:76.0 114:57.0 115:245.0 116:327.0 117:1604.0 118:113.0 130:1207.0 131:392.0 142:104.0 144:530.0 145:133.0 146:98.0 158:24.0 159:71.0 166:41.0 172:263.0 173:45.0 174:265.0 176:18.0 261:24.0 262:4646.0 263:840.0 264:302.0 276:32.0 350:147.0 351:85.0 352:27.0 403:13.0 419:17.0 429:25.0 7618 C06771 GSEJCLTVZPLZKY-UHFFFAOYSA-N trans-4-hydroxyproline 460662 158 43180 86:496.0 88:18.0 90:38.0 91:40.0 100:34.0 101:5.0 106:27.0 107:16.0 108:57.0 110:12.0 111:3.0 116:445.0 118:584.0 120:50.0 124:71.0 128:2.0 130:368.0 133:14.0 134:244.0 135:1.0 136:2.0 137:3.0 142:291.0 143:10.0 148:375.0 150:25.0 153:1.0 158:3885.0 159:532.0 160:154.0 170:138.0 171:41.0 180:2.0 181:4.0 183:3.0 184:35.0 185:30.0 186:36.0 195:2.0 199:2.0 212:1.0 213:2.0 225:8.0 237:2.0 239:1.0 241:1.0 246:9.0 250:45.0 253:1.0 254:65.0 256:4.0 257:1.0 260:170.0 261:11.0 270:1.0 285:2.0 291:8.0 303:5.0 319:4.0 320:1.0 339:10.0 352:4.0 362:1.0 364:3.0 370:1.0 377:3.0 379:6.0 382:27.0 388:1.0 394:15.0 397:13.0 422:23.0 440:16.0 447:14.0 448:2.0 452:7.0 454:3.0 464:7.0 468:3.0 469:9.0 478:4.0 481:6.0 495:6.0 496:13.0 5810 C01157 PMMYEEVYMWASQN-DMTCNVIQSA-N tocopherol alpha- 1067809 237 100 85:207.0 87:84.0 88:72.0 91:780.0 92:83.0 93:140.0 94:40.0 95:435.0 97:218.0 99:100.0 103:358.0 105:440.0 106:76.0 107:223.0 108:54.0 109:243.0 110:64.0 111:199.0 112:52.0 113:56.0 115:104.0 116:123.0 117:293.0 119:705.0 120:82.0 121:197.0 129:158.0 131:400.0 134:108.0 135:351.0 136:189.0 141:89.0 145:154.0 147:430.0 149:213.0 159:143.0 161:190.0 162:65.0 163:233.0 164:77.0 174:64.0 175:152.0 177:175.0 178:150.0 179:135.0 187:130.0 188:82.0 189:159.0 191:142.0 193:493.0 194:161.0 197:35.0 199:33.0 204:38.0 205:199.0 206:104.0 208:676.0 209:334.0 212:19.0 216:56.0 219:104.0 220:108.0 221:766.0 222:220.0 223:549.0 224:131.0 225:56.0 226:34.0 231:78.0 233:136.0 234:136.0 235:155.0 236:4753.0 237:8656.0 238:1427.0 239:294.0 240:83.0 245:59.0 246:60.0 248:107.0 249:161.0 258:21.0 261:104.0 262:144.0 263:50.0 268:51.0 270:30.0 274:30.0 275:121.0 276:56.0 277:443.0 278:93.0 283:83.0 284:14.0 287:26.0 290:24.0 291:53.0 295:45.0 316:19.0 338:24.0 343:37.0 355:33.0 359:26.0 360:19.0 361:39.0 369:24.0 390:30.0 391:27.0 398:20.0 406:32.0 420:28.0 429:14.0 445:18.0 451:21.0 455:21.0 465:20.0 478:21.0 490:25.0 500:43.0 14985 C02477 NCYCYZXNIZJOKI-OVSJKPMPSA-N threonine 408777 218 171298 85:3292.0 86:8314.0 87:9239.0 88:2146.0 89:1384.0 90:306.0 91:153.0 92:315.0 94:182.0 97:494.0 98:2338.0 100:29753.0 101:59367.0 102:12275.0 103:7014.0 104:972.0 105:1395.0 108:157.0 109:69.0 110:316.0 112:1534.0 113:915.0 114:5652.0 115:7842.0 116:2291.0 117:82641.0 118:9093.0 119:5575.0 120:42.0 121:295.0 122:99.0 125:29.0 128:17938.0 129:15821.0 130:16106.0 131:15835.0 132:12042.0 133:17512.0 134:3015.0 135:1861.0 136:223.0 139:106.0 141:125.0 142:589.0 143:453.0 144:1957.0 145:997.0 147:35599.0 148:6204.0 149:4547.0 150:415.0 151:404.0 153:72.0 156:188.0 157:440.0 158:2185.0 159:3215.0 160:1970.0 161:779.0 162:374.0 163:463.0 164:255.0 165:120.0 166:108.0 167:57.0 168:61.0 169:104.0 171:333.0 172:911.0 173:493.0 174:1437.0 175:500.0 176:861.0 177:1275.0 178:302.0 179:185.0 181:100.0 182:96.0 183:89.0 186:1460.0 187:457.0 188:670.0 189:592.0 191:1714.0 192:374.0 194:110.0 195:114.0 196:84.0 198:53.0 199:66.0 200:194.0 202:5773.0 203:7957.0 204:3261.0 205:1235.0 207:51.0 211:50.0 213:11.0 214:200.0 216:242.0 217:633.0 218:41522.0 219:49819.0 220:12103.0 221:5405.0 222:443.0 223:303.0 229:18.0 230:425.0 231:154.0 232:614.0 233:218.0 236:92.0 241:63.0 244:68.0 246:145.0 248:487.0 249:159.0 250:20.0 265:73.0 277:125.0 289:65.0 290:59.0 291:9404.0 292:7839.0 293:3479.0 294:896.0 295:353.0 296:95.0 316:28.0 320:1612.0 321:576.0 322:290.0 323:128.0 356:26.0 385:31.0 406:34.0 410:23.0 424:28.0 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N threonic acid 497572 292 172 86:78.0 87:500.0 88:136.0 89:1131.0 90:139.0 91:82.0 95:22.0 98:80.0 99:146.0 101:890.0 102:4177.0 103:5003.0 104:619.0 105:374.0 111:46.0 112:15.0 113:201.0 115:359.0 116:115.0 117:5872.0 118:496.0 119:430.0 121:39.0 128:64.0 129:1372.0 130:3055.0 131:1659.0 132:232.0 133:2893.0 134:460.0 135:237.0 136:30.0 141:29.0 143:619.0 144:80.0 145:104.0 147:16627.0 148:2848.0 149:2024.0 152:34.0 157:244.0 161:71.0 162:29.0 163:159.0 164:34.0 165:37.0 171:24.0 173:41.0 175:180.0 176:24.0 177:400.0 178:76.0 184:25.0 185:30.0 189:700.0 190:172.0 191:229.0 192:57.0 193:39.0 203:215.0 204:454.0 205:2260.0 206:388.0 207:395.0 208:72.0 209:29.0 214:15.0 217:2303.0 218:469.0 219:305.0 220:2310.0 221:932.0 222:293.0 223:98.0 224:18.0 229:33.0 231:44.0 234:15.0 242:24.0 243:17.0 245:385.0 246:72.0 254:22.0 265:16.0 277:34.0 279:33.0 281:18.0 290:15.0 291:317.0 292:2910.0 293:822.0 294:204.0 296:29.0 297:20.0 305:68.0 319:223.0 321:78.0 376:19.0 379:47.0 410:52.0 421:21.0 447:20.0 448:17.0 465:13.0 469:21.0 478:30.0 480:29.0 5460407 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N terephthalic acid 611213 295 344959 85:662.0 89:3774.0 90:439.0 91:747.0 92:285.0 96:222.0 99:709.0 102:177.0 103:12753.0 104:6766.0 105:1475.0 107:346.0 110:216.0 116:1514.0 117:3103.0 118:416.0 119:996.0 120:207.0 121:437.0 126:704.0 131:855.0 133:2545.0 134:1357.0 135:3325.0 136:364.0 140:2220.0 147:6433.0 148:1467.0 149:1155.0 150:325.0 151:319.0 157:291.0 158:646.0 160:1385.0 161:104.0 163:462.0 164:102.0 173:110.0 176:85.0 177:399.0 178:824.0 179:456.0 185:91.0 191:287.0 192:335.0 193:1039.0 195:105.0 201:167.0 203:1842.0 205:3763.0 206:620.0 207:1323.0 209:174.0 210:42.0 216:187.0 217:957.0 220:78.0 221:4675.0 222:695.0 223:280.0 228:77.0 229:41.0 230:81.0 231:3929.0 232:1069.0 233:433.0 234:153.0 235:82.0 247:59.0 250:86.0 251:3130.0 252:919.0 253:229.0 254:86.0 260:52.0 270:115.0 272:33.0 276:126.0 277:92.0 278:54.0 279:73.0 290:39.0 294:153.0 295:12094.0 296:2678.0 297:1194.0 298:189.0 302:34.0 310:636.0 311:145.0 321:142.0 322:84.0 340:26.0 360:44.0 22416364 C06337 KKEYFWRCBNTPAC-UHFFFAOYSA-N taurine 558857 326 52024 85:2200.0 86:489.0 88:22.0 92:9.0 96:30.0 97:14.0 98:123.0 99:686.0 100:873.0 101:49.0 102:24.0 105:91.0 106:415.0 109:86.0 113:365.0 114:216.0 115:39.0 117:123.0 130:500.0 131:150.0 133:773.0 135:3.0 140:8.0 146:5.0 147:1357.0 148:227.0 149:49.0 151:3.0 152:28.0 160:93.0 172:167.0 174:512.0 175:74.0 182:22.0 184:6.0 186:28.0 188:360.0 225:206.0 226:5.0 227:7.0 238:89.0 248:41.0 254:2.0 325:29.0 326:937.0 327:185.0 328:190.0 329:48.0 1123 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N sucrose 915139 271 173 85:319.0 87:314.0 88:197.0 89:406.0 91:85.0 92:24.0 94:41.0 97:89.0 99:203.0 100:65.0 101:688.0 102:331.0 103:8357.0 104:731.0 105:421.0 108:21.0 109:428.0 110:53.0 111:276.0 112:52.0 113:277.0 114:83.0 115:331.0 116:305.0 117:1934.0 118:199.0 119:119.0 122:42.0 124:17.0 125:110.0 127:383.0 128:152.0 129:5742.0 130:735.0 131:1008.0 132:97.0 133:1861.0 134:253.0 135:207.0 136:48.0 138:21.0 139:138.0 140:102.0 141:194.0 142:193.0 143:925.0 144:271.0 145:271.0 147:8307.0 148:1465.0 149:1065.0 150:111.0 151:89.0 153:177.0 155:783.0 156:91.0 157:923.0 158:111.0 159:110.0 161:83.0 163:184.0 164:57.0 167:39.0 168:16.0 169:4225.0 170:655.0 171:273.0 172:7.0 173:153.0 174:27.0 175:15.0 177:150.0 178:17.0 181:98.0 182:26.0 183:315.0 185:18.0 187:58.0 188:21.0 189:856.0 190:170.0 191:1130.0 192:155.0 194:24.0 198:24.0 199:78.0 200:51.0 201:109.0 202:38.0 203:218.0 204:709.0 205:552.0 206:174.0 207:148.0 208:52.0 211:21.0 213:20.0 215:248.0 216:95.0 217:6218.0 218:1363.0 219:511.0 220:115.0 221:298.0 222:38.0 223:44.0 224:28.0 226:28.0 227:98.0 228:40.0 229:326.0 230:381.0 231:248.0 232:78.0 233:106.0 234:45.0 235:50.0 238:17.0 239:51.0 241:91.0 243:1186.0 244:335.0 245:322.0 246:29.0 248:22.0 249:30.0 250:24.0 256:8.0 257:361.0 258:103.0 259:142.0 261:34.0 264:24.0 265:67.0 266:57.0 267:53.0 268:18.0 271:1336.0 272:302.0 273:247.0 275:18.0 277:46.0 278:31.0 281:34.0 284:17.0 286:15.0 287:49.0 288:47.0 291:151.0 292:77.0 293:78.0 301:46.0 303:49.0 305:110.0 306:31.0 307:33.0 308:14.0 309:20.0 312:22.0 317:41.0 318:44.0 319:300.0 320:155.0 321:81.0 324:17.0 326:22.0 327:22.0 328:36.0 331:213.0 332:99.0 333:81.0 336:31.0 337:27.0 345:74.0 346:47.0 347:29.0 352:21.0 354:19.0 358:26.0 360:222.0 361:5812.0 362:2033.0 363:748.0 364:239.0 365:89.0 367:34.0 372:18.0 374:16.0 375:24.0 376:15.0 377:50.0 378:7.0 379:20.0 380:30.0 385:10.0 388:15.0 395:20.0 403:13.0 404:15.0 410:26.0 435:42.0 436:34.0 437:517.0 438:285.0 439:139.0 440:55.0 451:127.0 452:107.0 470:16.0 483:17.0 485:14.0 500:15.0 5988 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N succinic acid 370608 247 161 85:303.0 87:764.0 88:359.0 89:340.0 91:55.0 92:42.0 95:84.0 98:86.0 99:324.0 101:577.0 102:330.0 103:701.0 104:172.0 105:342.0 106:78.0 107:93.0 111:30.0 113:629.0 114:213.0 115:891.0 116:1231.0 117:1124.0 118:170.0 119:320.0 120:104.0 124:22.0 126:77.0 128:196.0 129:6064.0 130:1045.0 131:1466.0 132:345.0 133:2204.0 135:234.0 136:65.0 137:16.0 138:15.0 142:39.0 143:223.0 145:378.0 147:57887.0 148:9490.0 149:4894.0 150:507.0 151:148.0 152:18.0 153:16.0 155:36.0 156:209.0 157:342.0 158:67.0 160:64.0 161:78.0 162:53.0 163:149.0 164:28.0 170:80.0 171:91.0 172:2182.0 173:1171.0 175:368.0 176:107.0 179:22.0 181:91.0 182:18.0 183:39.0 185:50.0 186:60.0 187:85.0 188:116.0 190:87.0 191:226.0 192:23.0 193:56.0 195:64.0 196:30.0 197:56.0 198:26.0 199:30.0 200:30.0 201:196.0 203:159.0 204:37.0 206:23.0 207:41.0 211:17.0 213:36.0 215:182.0 216:174.0 217:94.0 218:309.0 219:42.0 222:28.0 226:18.0 227:23.0 228:28.0 229:19.0 230:28.0 232:16.0 238:26.0 239:16.0 241:38.0 247:3158.0 248:569.0 249:300.0 250:51.0 251:19.0 256:27.0 259:27.0 261:22.0 262:125.0 264:21.0 267:16.0 268:26.0 270:40.0 272:27.0 278:17.0 279:22.0 280:30.0 281:24.0 284:17.0 287:32.0 288:30.0 290:15.0 291:41.0 292:17.0 296:35.0 308:33.0 310:34.0 313:21.0 314:21.0 315:31.0 316:19.0 325:17.0 326:25.0 327:27.0 330:16.0 331:42.0 332:30.0 335:24.0 336:43.0 340:21.0 343:20.0 346:33.0 347:17.0 348:25.0 350:19.0 351:37.0 352:12.0 356:18.0 364:14.0 369:21.0 371:31.0 372:19.0 374:22.0 375:30.0 376:30.0 378:35.0 379:27.0 383:18.0 387:27.0 390:29.0 391:23.0 392:35.0 397:22.0 398:19.0 399:29.0 400:18.0 406:42.0 409:21.0 410:28.0 413:25.0 414:24.0 415:21.0 416:38.0 417:29.0 418:32.0 419:21.0 420:31.0 421:30.0 422:30.0 423:25.0 424:23.0 425:34.0 426:40.0 429:39.0 431:46.0 432:24.0 434:16.0 435:25.0 436:33.0 437:38.0 438:22.0 439:22.0 440:48.0 441:38.0 442:22.0 443:17.0 444:21.0 445:21.0 446:26.0 447:37.0 448:35.0 449:35.0 450:39.0 451:42.0 453:18.0 455:31.0 457:23.0 458:15.0 459:29.0 461:35.0 462:44.0 463:35.0 464:45.0 465:17.0 466:21.0 468:12.0 469:28.0 472:32.0 473:28.0 477:34.0 478:48.0 480:18.0 484:37.0 486:44.0 488:18.0 489:42.0 490:26.0 491:39.0 492:25.0 493:16.0 494:16.0 496:19.0 497:17.0 499:27.0 1110 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N succinate semialdehyde 294272 113 396794 85:14284.0 88:278.0 89:51167.0 90:2435.0 91:4311.0 97:538.0 98:1233.0 100:273.0 101:384.0 102:1803.0 103:11431.0 104:461.0 105:1050.0 111:71.0 112:177.0 113:26438.0 114:5816.0 115:1361.0 116:761.0 117:1285.0 118:334.0 119:2987.0 121:66.0 122:52.0 123:159.0 124:178.0 126:1063.0 127:550.0 128:343.0 129:2687.0 130:2613.0 131:813.0 132:454.0 133:1187.0 134:296.0 136:72.0 137:36.0 139:302.0 141:346.0 142:563.0 143:1160.0 144:1037.0 145:529.0 147:2223.0 148:513.0 150:123.0 154:587.0 156:4725.0 157:841.0 159:174.0 163:129.0 164:131.0 168:137.0 169:124.0 172:7919.0 173:1194.0 174:422.0 175:64.0 176:296.0 182:40.0 185:82.0 186:152.0 188:3331.0 189:199.0 192:52.0 198:126.0 199:60.0 201:58.0 202:94.0 203:881.0 204:39.0 205:67.0 210:52.0 214:54.0 215:43.0 217:51.0 219:45.0 220:46.0 224:57.0 226:64.0 229:54.0 238:52.0 239:41.0 241:44.0 243:68.0 244:63.0 255:19.0 259:204.0 260:23.0 261:90.0 264:42.0 270:20.0 271:36.0 277:42.0 278:32.0 284:36.0 293:49.0 294:48.0 304:31.0 307:36.0 308:35.0 311:47.0 314:37.0 316:31.0 318:39.0 322:25.0 323:43.0 334:37.0 335:55.0 336:35.0 338:28.0 339:30.0 340:56.0 342:52.0 344:40.0 345:34.0 348:43.0 352:44.0 353:26.0 354:41.0 361:58.0 362:63.0 363:22.0 364:25.0 365:32.0 366:27.0 372:22.0 374:33.0 375:41.0 377:30.0 378:62.0 379:29.0 383:42.0 385:25.0 387:36.0 388:30.0 390:27.0 391:35.0 392:34.0 393:35.0 394:34.0 403:27.0 406:25.0 412:21.0 430:35.0 433:44.0 436:31.0 448:52.0 455:35.0 458:25.0 460:32.0 464:21.0 465:30.0 468:21.0 471:34.0 475:27.0 478:26.0 479:32.0 481:36.0 484:11.0 489:40.0 493:24.0 494:53.0 495:12.0 497:19.0 9543238 UIUJIQZEACWQSV-UHFFFAOYSA-M suberic acid 567452 169 183508 85:1080.0 89:602.0 90:161.0 92:236.0 93:4059.0 94:498.0 95:2680.0 97:3376.0 98:178.0 99:1117.0 101:1162.0 105:497.0 109:1125.0 110:1636.0 111:1917.0 112:204.0 114:176.0 115:764.0 116:785.0 117:5301.0 118:874.0 119:847.0 121:291.0 125:166.0 126:148.0 129:9266.0 130:168.0 131:717.0 132:732.0 133:688.0 138:3902.0 139:2965.0 140:588.0 142:68.0 143:591.0 145:376.0 147:8151.0 149:4835.0 150:1041.0 155:168.0 158:67.0 165:105.0 169:6901.0 170:285.0 171:1532.0 172:351.0 173:98.0 174:170.0 183:157.0 185:982.0 186:246.0 187:3367.0 188:874.0 189:504.0 200:124.0 204:8.0 211:99.0 214:261.0 215:140.0 216:55.0 218:116.0 219:305.0 228:490.0 231:205.0 233:161.0 235:40.0 236:26.0 239:34.0 240:28.0 243:230.0 249:51.0 255:47.0 259:22.0 272:104.0 302:56.0 303:973.0 304:343.0 305:294.0 329:38.0 337:41.0 346:28.0 347:33.0 348:53.0 373:26.0 374:24.0 389:32.0 395:40.0 397:47.0 401:76.0 419:30.0 426:20.0 428:50.0 437:45.0 445:43.0 469:16.0 473:25.0 479:24.0 481:27.0 483:22.0 485:37.0 10457 C08278 TYFQFVWCELRYAO-UHFFFAOYSA-N squalene 976237 95 23042 85:30.0 86:24.0 89:29.0 91:1210.0 92:419.0 93:2657.0 94:934.0 95:3637.0 96:426.0 97:225.0 105:675.0 106:136.0 107:1531.0 108:365.0 109:1353.0 110:180.0 111:108.0 112:7.0 115:78.0 116:94.0 117:38.0 118:27.0 119:622.0 120:164.0 121:1823.0 122:370.0 123:1104.0 124:151.0 125:39.0 128:103.0 129:12.0 131:224.0 132:45.0 133:266.0 134:264.0 135:782.0 136:1304.0 137:1202.0 138:116.0 139:4.0 140:15.0 141:17.0 142:2.0 144:84.0 145:52.0 147:168.0 148:33.0 149:745.0 150:122.0 151:59.0 152:15.0 153:16.0 154:15.0 158:4.0 159:86.0 161:201.0 162:91.0 163:152.0 164:36.0 173:54.0 175:184.0 176:20.0 177:98.0 181:2.0 186:3.0 188:10.0 189:159.0 190:55.0 191:91.0 192:101.0 193:34.0 195:2.0 198:32.0 201:11.0 203:119.0 204:97.0 205:16.0 206:1.0 207:105.0 208:16.0 215:34.0 216:11.0 217:60.0 218:30.0 219:3.0 220:13.0 223:11.0 225:3.0 227:5.0 231:54.0 234:13.0 245:6.0 248:13.0 250:13.0 251:9.0 253:20.0 256:12.0 257:24.0 261:15.0 272:10.0 273:7.0 276:2.0 290:5.0 291:4.0 292:4.0 293:1.0 294:1.0 296:6.0 308:5.0 312:2.0 316:14.0 326:4.0 328:12.0 331:2.0 338:26.0 341:25.0 343:11.0 347:16.0 353:8.0 355:22.0 356:6.0 360:22.0 361:38.0 365:2.0 366:26.0 367:7.0 368:33.0 374:3.0 378:2.0 379:9.0 380:12.0 387:3.0 388:44.0 390:6.0 394:16.0 395:40.0 402:7.0 403:8.0 404:6.0 407:3.0 411:8.0 417:4.0 419:23.0 420:16.0 429:8.0 430:17.0 432:6.0 434:6.0 443:17.0 456:7.0 457:2.0 458:10.0 461:22.0 462:5.0 465:1.0 467:14.0 472:22.0 474:22.0 477:7.0 478:10.0 479:7.0 486:12.0 487:5.0 492:13.0 496:15.0 498:22.0 499:11.0 638072 C00751 YYGNTYWPHWGJRM-AAJYLUCBSA-N sorbitol 667922 217 162 85:588.0 86:704.0 88:1768.0 89:8743.0 90:652.0 91:1094.0 92:168.0 93:127.0 94:89.0 97:2807.0 98:1048.0 99:1610.0 100:506.0 101:5089.0 102:848.0 103:48732.0 104:4923.0 105:2703.0 106:215.0 109:509.0 110:185.0 111:1108.0 112:146.0 113:1262.0 114:181.0 115:2342.0 116:957.0 117:28648.0 118:2694.0 119:2266.0 120:260.0 121:427.0 123:238.0 124:184.0 125:365.0 126:341.0 127:1107.0 129:20376.0 130:3176.0 131:6565.0 132:1009.0 133:14598.0 134:2015.0 135:966.0 136:167.0 137:208.0 138:235.0 139:205.0 140:167.0 141:605.0 142:358.0 143:4717.0 144:494.0 145:966.0 146:281.0 147:69563.0 148:12235.0 149:8372.0 150:559.0 151:534.0 152:185.0 153:407.0 155:923.0 156:304.0 157:13835.0 158:1728.0 159:920.0 161:501.0 162:120.0 163:999.0 164:235.0 165:86.0 166:123.0 167:268.0 168:107.0 169:761.0 170:173.0 172:59.0 173:380.0 174:229.0 175:1331.0 176:290.0 177:778.0 178:211.0 183:1324.0 184:244.0 186:387.0 187:238.0 188:87.0 189:6785.0 190:1762.0 191:6067.0 192:1019.0 193:563.0 194:164.0 195:154.0 196:204.0 197:95.0 198:56.0 200:106.0 201:445.0 202:197.0 203:793.0 204:6829.0 205:30832.0 206:5855.0 207:3196.0 208:471.0 209:153.0 210:40.0 211:37.0 212:28.0 213:336.0 214:403.0 215:418.0 216:171.0 217:30221.0 218:6026.0 219:2710.0 220:460.0 221:1707.0 222:417.0 223:241.0 224:82.0 225:94.0 226:83.0 227:1058.0 228:409.0 229:3000.0 230:905.0 231:2575.0 232:620.0 233:270.0 234:69.0 235:69.0 236:62.0 237:122.0 239:317.0 240:318.0 241:178.0 242:316.0 243:412.0 244:135.0 245:133.0 246:126.0 247:218.0 248:85.0 249:75.0 250:64.0 251:63.0 253:67.0 254:72.0 255:1017.0 256:263.0 257:354.0 258:82.0 259:521.0 260:163.0 261:126.0 262:65.0 263:70.0 264:61.0 265:325.0 266:101.0 267:63.0 268:50.0 269:86.0 271:111.0 273:195.0 275:61.0 276:70.0 277:1234.0 278:623.0 279:305.0 280:104.0 281:69.0 282:43.0 283:21.0 284:36.0 285:18.0 286:35.0 287:39.0 288:63.0 289:50.0 290:54.0 291:1018.0 292:374.0 293:163.0 294:88.0 295:48.0 300:16.0 301:31.0 302:19.0 303:47.0 304:49.0 305:1109.0 306:642.0 307:4062.0 308:1131.0 309:560.0 310:90.0 311:52.0 312:25.0 313:36.0 314:39.0 315:42.0 316:32.0 317:107.0 318:352.0 319:18662.0 320:5651.0 321:2474.0 322:481.0 323:149.0 324:44.0 325:19.0 327:22.0 328:35.0 329:112.0 330:62.0 331:1172.0 332:446.0 333:431.0 334:116.0 335:81.0 337:43.0 338:30.0 342:26.0 343:33.0 344:64.0 345:683.0 346:270.0 347:141.0 348:36.0 349:61.0 350:40.0 351:40.0 352:42.0 353:41.0 354:21.0 355:31.0 356:24.0 358:32.0 359:31.0 360:25.0 361:33.0 362:47.0 363:23.0 365:32.0 366:38.0 367:33.0 368:20.0 369:26.0 372:27.0 374:26.0 376:42.0 377:27.0 378:58.0 379:23.0 381:23.0 382:13.0 383:32.0 385:21.0 387:30.0 389:27.0 391:39.0 392:28.0 393:33.0 394:29.0 395:44.0 396:29.0 398:19.0 399:43.0 401:22.0 402:26.0 404:42.0 405:26.0 406:45.0 407:36.0 408:28.0 409:106.0 410:66.0 411:21.0 416:34.0 418:29.0 419:206.0 420:150.0 421:397.0 422:176.0 423:87.0 424:32.0 425:25.0 426:23.0 427:35.0 428:32.0 429:32.0 430:32.0 431:47.0 432:21.0 433:16.0 434:77.0 435:32.0 439:50.0 440:28.0 441:33.0 442:17.0 447:26.0 448:30.0 450:31.0 451:24.0 452:26.0 453:37.0 455:23.0 456:21.0 457:23.0 458:30.0 459:25.0 462:51.0 465:23.0 467:30.0 468:36.0 469:35.0 470:39.0 473:19.0 474:32.0 475:34.0 476:25.0 477:35.0 478:30.0 479:47.0 480:38.0 481:46.0 483:17.0 484:30.0 485:41.0 486:40.0 487:20.0 489:45.0 491:46.0 496:29.0 497:32.0 498:13.0 500:18.0 5780 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N sophorose 962064 307 132242 85:2560.0 86:912.0 87:2091.0 88:1575.0 89:17628.0 90:1723.0 91:871.0 92:166.0 94:467.0 95:318.0 96:457.0 97:1134.0 98:607.0 99:3066.0 100:5575.0 101:9344.0 102:2677.0 103:111948.0 104:11428.0 105:6566.0 106:805.0 107:81.0 108:148.0 109:1522.0 110:714.0 111:1805.0 112:1834.0 113:3073.0 114:1598.0 115:2873.0 116:4294.0 117:43075.0 118:4276.0 119:2903.0 120:319.0 122:167.0 123:164.0 124:230.0 125:500.0 126:2192.0 127:5788.0 128:2124.0 129:50312.0 130:7288.0 131:11851.0 132:1943.0 133:21439.0 134:2870.0 135:1580.0 136:180.0 137:11.0 138:288.0 139:787.0 140:747.0 141:1447.0 142:5989.0 143:7564.0 144:1908.0 145:3283.0 146:655.0 147:118117.0 148:19129.0 149:13082.0 150:1697.0 151:1219.0 152:625.0 153:1187.0 154:1219.0 155:4282.0 156:2436.0 157:23354.0 158:7463.0 159:3006.0 160:3153.0 161:4829.0 162:819.0 163:2990.0 164:557.0 165:118.0 166:427.0 167:234.0 168:943.0 169:15200.0 170:3527.0 171:2007.0 172:827.0 173:19153.0 174:11027.0 175:3977.0 176:851.0 177:1406.0 178:349.0 179:210.0 180:410.0 181:667.0 182:352.0 183:1422.0 184:652.0 185:524.0 186:1777.0 187:2063.0 188:605.0 189:15272.0 190:4252.0 191:25282.0 192:4789.0 193:469.0 196:558.0 197:320.0 198:1079.0 199:811.0 200:485.0 201:959.0 202:907.0 203:3179.0 204:38165.0 205:51771.0 206:11838.0 207:3423.0 208:590.0 209:78.0 210:430.0 211:107.0 212:359.0 213:245.0 214:520.0 215:1276.0 216:2100.0 217:62755.0 218:15054.0 219:7431.0 220:1218.0 221:2823.0 222:852.0 223:304.0 224:221.0 225:125.0 226:189.0 227:500.0 228:682.0 229:5739.0 230:2359.0 231:3223.0 232:882.0 233:3019.0 234:951.0 235:476.0 236:173.0 237:193.0 238:90.0 239:235.0 240:499.0 241:904.0 242:622.0 243:7722.0 244:8755.0 245:3589.0 246:5859.0 247:1947.0 248:517.0 249:243.0 250:103.0 252:170.0 254:383.0 255:344.0 256:624.0 257:756.0 258:545.0 259:2584.0 260:1124.0 261:547.0 262:287.0 263:380.0 264:254.0 265:476.0 266:102.0 268:308.0 269:1433.0 270:960.0 271:5324.0 272:1614.0 273:839.0 274:4976.0 275:1495.0 276:1038.0 277:2464.0 278:1192.0 279:644.0 280:192.0 282:70.0 285:104.0 286:254.0 287:289.0 288:252.0 289:238.0 290:216.0 291:2316.0 292:1013.0 293:833.0 294:318.0 295:251.0 296:38.0 297:29.0 298:102.0 299:137.0 300:2579.0 301:971.0 302:584.0 303:296.0 304:283.0 305:2592.0 306:1618.0 307:17209.0 308:6333.0 309:2859.0 310:633.0 311:202.0 312:24.0 314:78.0 315:131.0 316:94.0 317:680.0 318:1379.0 319:50438.0 320:20194.0 321:8747.0 322:2264.0 323:514.0 324:99.0 327:69.0 329:14.0 330:191.0 331:1535.0 332:973.0 333:856.0 334:298.0 335:187.0 337:47.0 338:30.0 339:24.0 343:230.0 344:109.0 345:486.0 346:150.0 347:173.0 348:135.0 349:73.0 350:30.0 351:45.0 352:32.0 353:36.0 354:44.0 356:84.0 358:117.0 359:306.0 360:879.0 361:18761.0 362:9018.0 363:3786.0 364:1153.0 365:743.0 366:359.0 367:153.0 368:76.0 369:49.0 371:40.0 372:19.0 373:45.0 374:79.0 375:60.0 376:126.0 377:97.0 378:128.0 379:80.0 380:74.0 381:42.0 382:7.0 385:21.0 388:135.0 389:109.0 390:1777.0 391:1484.0 392:720.0 393:346.0 394:103.0 395:60.0 397:26.0 398:53.0 400:45.0 401:70.0 403:13.0 405:65.0 406:71.0 407:76.0 408:42.0 409:116.0 410:81.0 411:53.0 412:44.0 414:19.0 417:65.0 418:21.0 419:39.0 420:36.0 421:42.0 423:50.0 424:14.0 425:7.0 431:26.0 433:61.0 434:49.0 435:171.0 436:154.0 437:6.0 438:51.0 439:10.0 440:28.0 442:25.0 444:26.0 445:7.0 447:36.0 448:55.0 449:49.0 450:124.0 451:154.0 452:64.0 453:74.0 454:24.0 457:20.0 458:24.0 461:53.0 464:83.0 465:31.0 466:35.0 467:17.0 472:30.0 473:25.0 474:61.0 475:96.0 477:69.0 478:81.0 479:298.0 480:1037.0 481:922.0 482:429.0 483:185.0 485:19.0 486:26.0 487:22.0 491:46.0 492:14.0 494:14.0 495:8.0 441432 C08250 HIWPGCMGAMJNRG-BTLHAWITSA-N shikimic acid 611100 204 286 85:149.0 87:51.0 89:152.0 90:30.0 91:290.0 92:189.0 93:498.0 94:99.0 95:323.0 96:150.0 97:191.0 98:58.0 99:248.0 100:45.0 101:676.0 103:796.0 104:122.0 105:435.0 107:157.0 108:97.0 109:114.0 111:293.0 112:57.0 113:62.0 114:60.0 115:150.0 116:435.0 117:504.0 118:76.0 119:240.0 121:261.0 122:62.0 123:242.0 125:205.0 126:81.0 128:58.0 131:777.0 132:71.0 133:2652.0 134:351.0 135:280.0 137:3.0 138:27.0 139:53.0 141:337.0 143:44.0 145:48.0 147:8875.0 148:1647.0 149:602.0 150:80.0 151:285.0 152:59.0 153:181.0 155:91.0 156:46.0 157:116.0 158:43.0 159:33.0 160:9.0 161:39.0 162:32.0 163:116.0 165:215.0 166:127.0 167:599.0 168:106.0 169:196.0 171:62.0 172:26.0 173:54.0 175:61.0 176:31.0 177:163.0 178:60.0 179:111.0 180:223.0 181:366.0 182:162.0 183:142.0 184:73.0 186:26.0 187:56.0 188:14.0 189:1393.0 190:353.0 191:657.0 192:158.0 193:561.0 194:120.0 195:371.0 196:78.0 197:95.0 199:52.0 200:56.0 204:20604.0 205:3409.0 206:1363.0 207:196.0 208:27.0 209:125.0 210:59.0 211:53.0 212:47.0 213:51.0 215:124.0 217:149.0 218:42.0 219:28.0 220:23.0 221:162.0 222:35.0 223:167.0 224:85.0 225:38.0 226:40.0 227:71.0 229:99.0 230:56.0 232:85.0 233:38.0 237:43.0 238:16.0 239:162.0 240:71.0 241:129.0 242:44.0 243:201.0 244:85.0 245:41.0 246:36.0 248:17.0 249:33.0 250:52.0 252:28.0 253:109.0 254:579.0 255:795.0 256:284.0 257:155.0 258:109.0 262:12.0 263:19.0 265:72.0 267:229.0 268:23.0 269:104.0 270:32.0 272:15.0 275:20.0 282:267.0 283:96.0 284:22.0 289:22.0 291:13.0 292:19.0 298:15.0 299:19.0 305:86.0 308:32.0 311:24.0 312:51.0 316:31.0 329:60.0 330:51.0 331:125.0 332:60.0 340:27.0 341:50.0 343:58.0 345:14.0 346:10.0 347:37.0 348:32.0 351:22.0 354:19.0 355:35.0 356:128.0 357:362.0 358:136.0 359:57.0 360:40.0 364:33.0 367:38.0 368:17.0 371:10.0 372:281.0 373:92.0 378:26.0 381:14.0 383:16.0 385:25.0 387:24.0 389:37.0 391:28.0 393:37.0 395:36.0 398:28.0 407:42.0 408:17.0 410:25.0 414:12.0 415:21.0 417:30.0 429:38.0 432:29.0 440:39.0 447:51.0 448:61.0 455:24.0 460:14.0 461:45.0 462:15.0 463:59.0 466:23.0 484:22.0 486:34.0 491:36.0 495:17.0 500:20.0 8742 C00493 JXOHGGNKMLTUBP-HSUXUTPPSA-N serotonin 863824 174 364413 86:4107.0 88:265.0 89:507.0 99:113.0 100:836.0 101:537.0 102:87.0 105:231.0 106:150.0 115:184.0 116:354.0 122:106.0 123:35.0 128:209.0 129:489.0 131:657.0 138:69.0 140:59.0 142:417.0 144:225.0 146:183.0 156:136.0 158:66.0 162:90.0 164:50.0 166:73.0 172:44.0 174:17886.0 175:3422.0 176:1438.0 177:194.0 178:69.0 180:20.0 187:100.0 188:94.0 189:77.0 193:213.0 199:82.0 200:82.0 202:366.0 203:60.0 204:304.0 205:372.0 206:164.0 209:185.0 213:76.0 214:136.0 215:96.0 216:146.0 217:398.0 218:257.0 219:111.0 223:36.0 230:118.0 231:113.0 233:143.0 237:49.0 244:81.0 246:21.0 256:21.0 260:18.0 261:76.0 265:46.0 268:57.0 272:54.0 277:112.0 278:49.0 287:131.0 288:132.0 289:43.0 290:601.0 291:317.0 292:42.0 302:115.0 313:207.0 317:52.0 320:36.0 321:72.0 332:36.0 334:83.0 338:26.0 345:25.0 346:66.0 347:19.0 354:27.0 361:256.0 362:96.0 364:35.0 369:41.0 372:10.0 373:37.0 374:50.0 380:18.0 387:42.0 391:21.0 393:40.0 400:46.0 402:30.0 403:45.0 416:80.0 418:78.0 424:11.0 426:52.0 431:30.0 434:11.0 439:35.0 449:54.0 450:189.0 451:1.0 453:115.0 454:50.0 455:23.0 464:32.0 465:26.0 466:36.0 481:25.0 493:19.0 497:20.0 500:11.0 5202 C00780 QZAYGJVTTNCVMB-UHFFFAOYSA-N serine 338576 116 171304 86:2003.0 87:537.0 90:602.0 91:593.0 95:111.0 98:647.0 100:5523.0 101:595.0 102:2905.0 103:9760.0 106:235.0 109:119.0 115:988.0 116:43293.0 117:2849.0 118:2485.0 122:96.0 130:2377.0 131:2301.0 133:4061.0 138:36.0 142:179.0 146:3093.0 147:8991.0 148:1062.0 149:691.0 157:264.0 159:2108.0 160:338.0 161:143.0 170:39.0 174:204.0 175:118.0 177:74.0 203:21.0 207:107.0 217:186.0 218:216.0 219:211.0 221:147.0 230:44.0 234:977.0 247:64.0 248:41.0 259:41.0 261:30.0 288:12.0 337:48.0 421:42.0 440:42.0 442:39.0 451:32.0 481:31.0 484:26.0 487:23.0 488:38.0 5951 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N sedoheptulose 7-phosphate 887974 387 360155 85:26705.0 86:2946.0 87:345345.0 88:28070.0 89:29304.0 90:2228.0 91:2502.0 93:5497.0 94:1942.0 95:14205.0 96:4350.0 97:39694.0 98:15796.0 99:7232.0 100:8837.0 101:54301.0 102:8054.0 103:61210.0 104:6469.0 105:8450.0 106:1732.0 107:4632.0 108:1313.0 109:6207.0 110:2947.0 111:15664.0 112:2674.0 113:6279.0 114:7407.0 115:16075.0 116:11340.0 117:15286.0 118:1732.0 119:5829.0 120:433.0 121:5289.0 122:1034.0 123:3770.0 124:679.0 125:5886.0 126:2537.0 127:3918.0 128:2225.0 129:61952.0 130:13402.0 131:18141.0 132:2838.0 133:37983.0 134:6058.0 135:9262.0 136:1750.0 137:3633.0 138:1138.0 139:4020.0 140:1360.0 141:1539.0 142:3576.0 143:69885.0 144:8396.0 145:2088.0 146:355.0 147:77127.0 148:13620.0 149:10286.0 150:1851.0 151:3115.0 152:613.0 153:2157.0 154:1634.0 155:956.0 156:525.0 157:27574.0 158:5195.0 159:2594.0 161:834.0 163:3920.0 164:865.0 165:996.0 166:936.0 167:1670.0 168:1193.0 169:2546.0 170:104.0 171:5826.0 172:6031.0 173:11133.0 174:3412.0 175:2100.0 176:102.0 177:2116.0 178:787.0 179:1175.0 180:476.0 181:3481.0 182:567.0 183:1195.0 184:949.0 185:9825.0 186:3590.0 187:1252.0 188:1128.0 189:6311.0 190:1788.0 191:6506.0 192:1145.0 193:3514.0 194:865.0 195:2537.0 196:768.0 197:904.0 198:779.0 199:16167.0 200:4106.0 201:3022.0 202:2362.0 203:2247.0 204:9009.0 205:3470.0 206:1534.0 207:7010.0 208:1347.0 209:1134.0 210:276.0 211:15530.0 212:2485.0 213:8226.0 214:1554.0 215:1852.0 216:1864.0 217:23736.0 218:5745.0 219:2409.0 220:705.0 221:1813.0 222:742.0 223:274.0 224:174.0 225:6662.0 226:1660.0 227:6152.0 228:3134.0 229:1715.0 230:2227.0 231:3215.0 232:488.0 233:694.0 235:455.0 237:539.0 239:298.0 240:1034.0 241:5258.0 242:1686.0 243:2496.0 244:1374.0 245:648.0 246:444.0 247:7682.0 248:1308.0 249:714.0 250:102.0 251:248.0 252:302.0 253:990.0 254:326.0 255:9509.0 256:2709.0 257:494.0 258:297.0 260:1097.0 261:78.0 262:6219.0 263:4326.0 264:1531.0 265:230.0 266:430.0 267:765.0 268:1181.0 269:4839.0 270:1781.0 271:647.0 272:427.0 273:382.0 275:451.0 276:313.0 277:313.0 278:354.0 280:288.0 282:471.0 283:3796.0 284:1121.0 285:2529.0 286:719.0 287:458.0 288:280.0 289:396.0 290:167.0 291:1017.0 292:467.0 293:357.0 294:113.0 295:220.0 296:37.0 297:1932.0 298:1858.0 299:48863.0 300:11565.0 301:8064.0 302:1973.0 303:951.0 304:500.0 305:496.0 306:151.0 307:371.0 308:152.0 310:349.0 311:8531.0 312:2744.0 313:1979.0 314:2466.0 315:24577.0 316:7107.0 317:3836.0 318:1497.0 320:640.0 321:568.0 323:2082.0 324:492.0 325:859.0 326:570.0 327:226.0 328:1397.0 329:467.0 330:403.0 331:4475.0 332:1730.0 333:1197.0 334:789.0 335:175.0 336:117.0 338:84.0 339:162.0 340:207.0 341:2548.0 342:1252.0 343:888.0 344:326.0 345:255.0 347:291.0 348:144.0 349:17.0 351:117.0 352:61.0 353:415.0 354:14249.0 355:4276.0 356:894.0 357:19158.0 358:6209.0 359:3118.0 360:705.0 361:351.0 362:27.0 363:85.0 364:295.0 365:136.0 367:26.0 368:72.0 369:596.0 370:531.0 371:570.0 373:1282.0 374:770.0 375:131.0 376:529.0 377:298.0 378:186.0 379:97.0 380:92.0 381:116.0 383:276.0 384:212.0 385:391.0 386:3711.0 387:71729.0 388:25390.0 389:15425.0 390:3795.0 391:1436.0 392:367.0 393:99.0 394:60.0 395:86.0 398:66.0 401:38.0 402:264.0 403:982.0 404:582.0 405:108.0 406:108.0 409:57.0 413:9.0 415:400.0 416:170.0 417:233.0 418:173.0 419:109.0 420:164.0 422:77.0 424:49.0 425:72.0 426:46.0 427:116.0 428:155.0 429:243.0 430:124.0 431:286.0 432:216.0 433:139.0 434:166.0 436:121.0 438:43.0 439:39.0 440:101.0 441:109.0 443:431.0 444:318.0 445:241.0 446:277.0 447:60.0 448:70.0 449:135.0 450:22.0 452:58.0 454:56.0 455:322.0 456:82.0 457:143.0 458:71.0 459:355.0 460:326.0 461:907.0 462:580.0 463:347.0 464:60.0 465:55.0 466:228.0 467:30.0 468:26.0 470:712.0 471:9073.0 472:3788.0 473:2341.0 474:803.0 475:460.0 476:108.0 477:65.0 478:300.0 479:255.0 480:13.0 481:65.0 483:43.0 485:38.0 491:40.0 492:58.0 493:103.0 494:596.0 495:342.0 496:82.0 497:76.0 498:29.0 499:21.0 500:23.0 JDTUMPKOJBQPKX-GBNDHIKLSA-N ribulose-5-phosphate 735908 357 42027 85:312.0 86:310.0 87:77.0 88:272.0 89:2115.0 90:271.0 96:12.0 99:105.0 100:160.0 101:1037.0 102:89.0 103:1721.0 104:95.0 105:109.0 107:84.0 108:34.0 110:262.0 111:56.0 112:122.0 114:472.0 116:326.0 117:494.0 126:132.0 127:336.0 128:150.0 129:548.0 130:484.0 131:650.0 133:1471.0 134:596.0 135:26.0 137:39.0 139:9.0 140:48.0 142:152.0 143:193.0 144:59.0 146:124.0 147:3134.0 148:114.0 149:256.0 151:81.0 152:67.0 154:1.0 159:67.0 161:54.0 163:31.0 168:56.0 172:102.0 173:40.0 174:24.0 177:7.0 179:38.0 181:3.0 183:35.0 184:98.0 185:37.0 186:118.0 188:31.0 189:114.0 190:8.0 191:331.0 192:108.0 193:81.0 195:65.0 198:58.0 200:22.0 201:211.0 202:90.0 203:21.0 204:30.0 205:121.0 209:29.0 210:30.0 211:418.0 212:29.0 213:68.0 214:20.0 215:51.0 216:54.0 217:366.0 218:35.0 221:38.0 222:24.0 224:8.0 225:195.0 226:20.0 227:62.0 228:16.0 230:37.0 231:26.0 232:21.0 239:39.0 240:16.0 242:60.0 243:10.0 244:89.0 245:25.0 248:1.0 253:29.0 254:4.0 256:61.0 257:2.0 260:30.0 261:40.0 262:53.0 265:52.0 269:43.0 273:13.0 276:24.0 278:4.0 284:3.0 285:45.0 287:5.0 293:16.0 294:5.0 298:11.0 299:1106.0 300:267.0 301:133.0 303:4.0 304:10.0 305:263.0 306:8.0 307:1.0 308:28.0 310:42.0 312:16.0 314:63.0 315:35.0 317:13.0 318:87.0 319:12.0 320:7.0 321:4.0 331:5.0 332:51.0 333:34.0 334:11.0 341:103.0 342:57.0 344:30.0 346:35.0 347:40.0 348:40.0 350:7.0 351:19.0 356:46.0 357:3265.0 358:932.0 359:540.0 360:123.0 362:39.0 363:10.0 365:17.0 368:8.0 370:1.0 374:11.0 376:8.0 377:26.0 378:9.0 379:22.0 380:4.0 382:10.0 387:69.0 388:11.0 389:45.0 390:11.0 391:5.0 392:19.0 397:2.0 404:14.0 406:5.0 409:9.0 413:26.0 415:1.0 416:38.0 418:4.0 426:10.0 433:44.0 435:18.0 443:5.0 446:4.0 456:9.0 457:5.0 459:2.0 463:7.0 472:7.0 482:14.0 486:21.0 489:5.0 494:36.0 499:26.0 439184 C00199 FNZLKVNUWIIPSJ-UHNVWZDZSA-N ribose-5-phosphate 731096 315 84602 85:1631.0 86:589.0 87:1362.0 88:598.0 89:8723.0 90:615.0 91:326.0 92:182.0 94:554.0 95:197.0 97:34.0 98:838.0 99:1498.0 100:1658.0 101:9313.0 102:1341.0 103:3554.0 104:521.0 105:3388.0 106:83.0 107:147.0 109:173.0 110:117.0 111:586.0 112:653.0 113:1408.0 114:1292.0 115:2658.0 116:2889.0 117:3215.0 118:506.0 119:1346.0 120:225.0 121:627.0 122:110.0 123:236.0 124:132.0 125:200.0 126:1590.0 127:1081.0 128:758.0 129:14737.0 130:3734.0 131:3761.0 132:723.0 133:11294.0 134:1621.0 135:2550.0 136:278.0 137:771.0 138:179.0 139:161.0 140:216.0 141:330.0 142:683.0 143:1476.0 144:332.0 145:685.0 147:19944.0 148:2901.0 149:2864.0 150:472.0 151:962.0 152:252.0 153:227.0 154:203.0 155:168.0 156:376.0 157:725.0 158:5042.0 159:1086.0 160:5276.0 161:1305.0 162:363.0 163:1290.0 164:213.0 165:336.0 166:128.0 167:347.0 168:1243.0 169:461.0 170:239.0 171:78.0 172:216.0 173:786.0 174:778.0 175:261.0 176:94.0 177:251.0 178:33.0 179:275.0 180:84.0 181:972.0 182:273.0 183:413.0 184:487.0 185:174.0 186:102.0 187:139.0 188:81.0 189:1240.0 190:285.0 191:1540.0 192:311.0 193:1254.0 194:246.0 195:1248.0 196:178.0 197:333.0 198:875.0 199:170.0 200:756.0 201:278.0 202:193.0 203:353.0 204:796.0 205:1295.0 206:316.0 207:1911.0 208:380.0 209:271.0 210:151.0 211:6632.0 212:824.0 213:496.0 214:248.0 215:484.0 216:776.0 217:15888.0 218:3324.0 219:1038.0 220:257.0 221:276.0 223:53.0 224:29.0 225:1861.0 226:310.0 227:1510.0 228:268.0 229:247.0 230:205.0 231:364.0 232:137.0 233:75.0 234:44.0 237:29.0 239:44.0 240:119.0 241:312.0 242:145.0 243:184.0 244:169.0 245:103.0 246:150.0 247:63.0 248:40.0 249:37.0 251:35.0 253:467.0 254:121.0 255:246.0 256:654.0 257:321.0 258:213.0 259:83.0 260:62.0 261:18.0 262:76.0 267:74.0 269:321.0 270:62.0 271:65.0 272:791.0 273:270.0 274:273.0 275:44.0 276:18.0 281:46.0 283:538.0 284:177.0 285:583.0 286:164.0 287:154.0 288:174.0 289:36.0 290:65.0 291:56.0 293:22.0 297:50.0 298:432.0 299:14065.0 300:4121.0 301:2102.0 302:272.0 303:109.0 304:47.0 305:122.0 306:68.0 307:61.0 308:59.0 309:82.0 310:66.0 311:56.0 313:253.0 314:890.0 315:18477.0 316:4909.0 317:2574.0 318:481.0 319:218.0 320:46.0 327:64.0 328:309.0 329:99.0 330:139.0 331:179.0 332:84.0 333:37.0 340:15.0 341:606.0 342:231.0 343:116.0 344:41.0 355:31.0 356:108.0 357:2038.0 358:677.0 359:296.0 360:68.0 362:246.0 363:117.0 364:72.0 368:20.0 371:69.0 372:73.0 373:407.0 374:163.0 375:59.0 376:18.0 377:18.0 384:22.0 385:49.0 386:81.0 387:507.0 388:255.0 389:217.0 390:75.0 391:29.0 392:23.0 401:15.0 402:132.0 403:1140.0 404:494.0 405:220.0 406:78.0 407:29.0 409:8.0 412:12.0 415:27.0 417:23.0 419:12.0 424:11.0 425:12.0 429:24.0 430:24.0 431:95.0 432:63.0 438:17.0 441:19.0 458:141.0 459:891.0 460:355.0 461:273.0 462:59.0 463:25.0 464:13.0 465:22.0 473:11.0 482:25.0 489:19.0 492:11.0 497:11.0 499:16.0 439167 C00117 KTVPXOYAKDPRHY-SOOFDHNKSA-N ribose 553071 217 384948 85:2399.0 86:4146.0 87:4454.0 88:2826.0 89:34609.0 90:2597.0 91:2045.0 92:163.0 94:644.0 95:196.0 98:1411.0 99:4110.0 100:15150.0 101:12241.0 102:6329.0 103:304794.0 104:27717.0 105:21890.0 106:994.0 107:606.0 111:503.0 112:1835.0 113:3282.0 114:5374.0 115:4289.0 116:6441.0 117:21019.0 118:2794.0 119:3780.0 120:825.0 121:607.0 124:60.0 125:88.0 126:744.0 127:1902.0 129:28456.0 130:5612.0 131:13054.0 132:3400.0 133:34199.0 134:3819.0 135:3124.0 136:107.0 140:438.0 141:1361.0 142:1023.0 143:5148.0 145:3889.0 146:1094.0 147:77891.0 148:10338.0 149:7833.0 150:811.0 151:478.0 152:297.0 157:1613.0 158:2287.0 159:2225.0 160:25675.0 161:5540.0 162:1117.0 163:4076.0 164:673.0 165:354.0 166:48.0 167:168.0 168:2060.0 169:819.0 170:322.0 172:875.0 174:2136.0 175:2458.0 176:673.0 177:776.0 178:118.0 179:137.0 180:158.0 181:54.0 182:309.0 183:69.0 184:86.0 185:288.0 186:485.0 187:309.0 188:1108.0 189:35496.0 190:5796.0 191:10490.0 192:1367.0 193:823.0 194:30.0 198:780.0 199:138.0 200:857.0 201:908.0 202:548.0 203:1228.0 204:7211.0 206:369.0 207:1173.0 209:237.0 213:128.0 214:455.0 215:584.0 216:2755.0 217:97725.0 218:19937.0 219:8630.0 220:575.0 221:1424.0 222:150.0 228:361.0 229:329.0 230:415.0 231:2209.0 232:1794.0 233:6344.0 234:2325.0 235:793.0 236:200.0 237:104.0 238:32.0 240:161.0 241:241.0 242:867.0 243:665.0 244:235.0 246:460.0 247:263.0 248:596.0 249:144.0 251:55.0 252:106.0 253:52.0 255:58.0 256:775.0 257:787.0 258:645.0 260:237.0 262:1865.0 267:145.0 268:142.0 269:101.0 270:126.0 272:323.0 273:218.0 274:1284.0 275:315.0 276:179.0 277:7808.0 278:2574.0 279:1411.0 280:414.0 281:144.0 285:74.0 287:27.0 288:202.0 295:37.0 303:129.0 304:35.0 305:321.0 306:587.0 307:31740.0 308:8863.0 309:4391.0 310:947.0 311:50.0 314:64.0 315:149.0 316:275.0 317:96.0 318:88.0 319:243.0 320:234.0 330:338.0 331:308.0 332:165.0 337:16.0 344:43.0 348:67.0 353:24.0 354:14.0 361:76.0 362:336.0 367:259.0 368:138.0 369:90.0 379:56.0 382:47.0 383:76.0 386:33.0 387:23.0 395:41.0 399:28.0 400:53.0 406:57.0 418:64.0 430:22.0 435:39.0 436:14.0 444:22.0 445:31.0 447:27.0 448:17.0 450:33.0 460:18.0 467:48.0 468:47.0 469:12.0 470:50.0 477:27.0 484:8.0 489:12.0 490:23.0 491:37.0 497:18.0 10975657 C00121 SRBFZHDQGSBBOR-SOOFDHNKSA-N ribonic acid 597646 292 84543 86:34.0 87:189.0 88:350.0 89:1206.0 93:89.0 97:163.0 99:271.0 101:1055.0 102:1149.0 103:14449.0 104:1343.0 105:510.0 111:142.0 113:391.0 114:65.0 115:244.0 116:292.0 117:4183.0 118:357.0 119:78.0 125:85.0 129:1808.0 130:1437.0 131:1358.0 132:316.0 133:4108.0 134:646.0 135:379.0 141:281.0 142:49.0 143:1809.0 144:219.0 145:92.0 147:15767.0 148:2552.0 149:1820.0 150:145.0 151:61.0 157:484.0 159:32.0 161:10.0 163:23.0 169:25.0 170:30.0 173:26.0 175:356.0 176:76.0 177:116.0 178:27.0 185:120.0 187:38.0 189:2428.0 190:352.0 191:906.0 192:80.0 193:89.0 194:28.0 198:15.0 201:107.0 203:52.0 204:1478.0 205:1536.0 206:430.0 207:527.0 208:79.0 209:67.0 213:47.0 214:37.0 215:139.0 216:37.0 217:6180.0 218:1237.0 219:846.0 220:195.0 221:756.0 222:185.0 223:103.0 224:26.0 229:102.0 230:37.0 231:118.0 232:57.0 233:49.0 245:11.0 246:35.0 252:17.0 257:359.0 258:107.0 259:19.0 262:13.0 263:31.0 266:90.0 267:31.0 276:8.0 277:441.0 278:178.0 279:107.0 280:13.0 289:32.0 290:12.0 291:188.0 292:4938.0 293:1422.0 294:700.0 295:175.0 296:14.0 303:73.0 305:792.0 306:277.0 307:714.0 308:242.0 309:84.0 317:13.0 319:63.0 320:41.0 331:186.0 332:87.0 333:1015.0 334:203.0 335:172.0 348:36.0 349:17.0 379:32.0 380:6.0 393:47.0 394:7.0 421:17.0 422:28.0 424:39.0 470:24.0 5460677 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N ribitol 575497 217 7362 85:248.0 86:43.0 87:65.0 88:62.0 89:897.0 90:98.0 92:20.0 95:22.0 99:113.0 100:224.0 101:774.0 102:28.0 103:6316.0 104:624.0 105:415.0 107:35.0 109:433.0 110:374.0 111:71.0 112:1.0 113:273.0 114:80.0 115:19.0 116:274.0 117:7478.0 118:701.0 119:297.0 126:2.0 128:44.0 129:3713.0 130:874.0 131:1633.0 132:149.0 133:1838.0 134:180.0 135:129.0 136:1.0 140:1.0 142:152.0 143:478.0 145:98.0 146:11.0 147:7935.0 148:1218.0 149:625.0 154:14.0 155:280.0 156:23.0 157:910.0 158:67.0 159:46.0 160:682.0 161:214.0 163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0 827 C00474 HEBKCHPVOIAQTA-ZXFHETKHSA-N raffinose 1120886 361 3190 85:33.0 86:57.0 89:118.0 97:9.0 99:119.0 101:141.0 103:2918.0 104:200.0 109:167.0 113:29.0 115:39.0 116:161.0 117:590.0 119:118.0 127:20.0 129:3784.0 130:442.0 131:389.0 132:40.0 133:755.0 139:34.0 141:95.0 142:74.0 143:448.0 144:16.0 145:42.0 147:2732.0 148:202.0 149:232.0 150:2.0 153:60.0 155:407.0 156:35.0 157:463.0 158:48.0 159:18.0 161:17.0 162:10.0 163:129.0 169:2550.0 170:335.0 171:169.0 173:16.0 175:16.0 176:9.0 177:47.0 183:139.0 187:22.0 189:460.0 190:124.0 191:1240.0 192:156.0 193:279.0 199:126.0 201:69.0 203:142.0 204:2972.0 205:718.0 206:169.0 207:660.0 208:195.0 209:20.0 215:119.0 216:26.0 217:3764.0 218:881.0 219:323.0 220:12.0 221:196.0 222:14.0 229:132.0 230:216.0 231:139.0 232:98.0 243:746.0 244:120.0 245:188.0 246:21.0 251:50.0 252:38.0 257:109.0 259:33.0 267:57.0 269:3.0 271:759.0 272:96.0 273:117.0 275:14.0 281:115.0 283:60.0 289:15.0 291:66.0 293:16.0 294:7.0 305:51.0 313:9.0 317:6.0 319:155.0 320:74.0 322:1.0 325:10.0 327:112.0 331:56.0 333:31.0 341:47.0 345:9.0 355:13.0 361:3329.0 362:1057.0 363:522.0 364:42.0 433:5.0 437:412.0 438:132.0 439:69.0 451:206.0 452:56.0 453:36.0 489:9.0 439242 C00492 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N pyrophosphate 327517 110 88181 85:59.0 86:424.0 88:3996.0 89:1099.0 90:521.0 91:2992.0 92:542.0 93:556.0 94:176.0 95:7.0 98:486.0 99:22.0 100:644.0 101:127.0 102:321.0 103:699.0 104:316.0 105:878.0 106:720.0 107:2656.0 108:521.0 109:1698.0 110:90323.0 111:3584.0 113:74.0 114:44.0 115:1098.0 116:32.0 117:291.0 118:249.0 119:1334.0 120:399.0 121:1855.0 122:318.0 123:1116.0 124:21.0 125:322.0 131:709.0 132:202.0 133:5324.0 134:2658.0 135:4880.0 136:799.0 137:6154.0 138:647.0 139:743.0 140:282.0 141:256.0 142:44.0 143:64.0 147:2214.0 148:31.0 149:472.0 150:244.0 151:1513.0 152:174.0 153:243.0 154:62.0 155:329.0 157:30.0 159:1066.0 160:155.0 161:169.0 162:4.0 163:771.0 164:234.0 165:333.0 166:81.0 167:269.0 168:44.0 169:254.0 170:38.0 172:207.0 174:69.0 175:10.0 177:129.0 178:92.0 179:199.0 180:5.0 181:909.0 182:162.0 183:227.0 184:488.0 185:162.0 186:52.0 187:46.0 188:12.0 189:7.0 190:6.0 193:35.0 194:661.0 195:1742.0 196:252.0 197:324.0 198:48.0 199:289.0 200:6.0 201:26.0 209:486.0 210:432.0 211:5501.0 212:852.0 213:510.0 214:47.0 215:118.0 216:562.0 217:55.0 218:16.0 220:23.0 223:9.0 224:36.0 225:2749.0 226:562.0 227:3063.0 228:664.0 229:897.0 230:167.0 231:96.0 236:19.0 238:471.0 239:108.0 240:249.0 241:6516.0 242:1162.0 243:900.0 244:222.0 245:33.0 246:18.0 248:20.0 250:7.0 254:745.0 255:195.0 256:884.0 257:163.0 258:87.0 260:3.0 261:4.0 263:3.0 266:33.0 276:17.0 282:591.0 283:33.0 288:5.0 299:3.0 305:8.0 315:2.0 331:60.0 332:16.0 335:193.0 336:7556.0 337:1641.0 338:803.0 339:121.0 347:6.0 351:317.0 352:85.0 353:19.0 374:3.0 398:4.0 401:6.0 403:11.0 410:12.0 414:12.0 438:8.0 452:5.0 457:2.0 460:2.0 470:8.0 478:3.0 481:1.0 488:4.0 1023 C00013 XPPKVPWEQAFLFU-UHFFFAOYSA-N putrescine 588119 174 21703 85:624.0 86:17614.0 87:1954.0 88:701.0 95:37.0 96:1.0 97:93.0 98:646.0 99:2310.0 100:8640.0 101:1171.0 102:973.0 103:9.0 110:382.0 111:26.0 112:811.0 113:463.0 114:1772.0 115:664.0 116:1599.0 117:894.0 118:197.0 124:16.0 125:39.0 126:2092.0 127:226.0 128:1088.0 129:243.0 130:4521.0 131:1582.0 132:862.0 140:655.0 141:77.0 142:1872.0 143:265.0 144:500.0 145:66.0 146:2422.0 153:32.0 156:175.0 158:658.0 159:41.0 160:306.0 161:249.0 162:38.0 167:11.0 170:321.0 171:88.0 172:4206.0 173:1002.0 174:64169.0 175:12035.0 176:5347.0 177:502.0 178:41.0 184:47.0 185:2.0 186:296.0 187:692.0 188:367.0 189:59.0 197:135.0 198:99.0 199:162.0 200:3458.0 201:589.0 202:310.0 211:2.0 212:60.0 213:29.0 214:4453.0 215:873.0 216:342.0 228:51.0 229:24.0 242:2.0 361:457.0 362:101.0 363:68.0 376:189.0 377:35.0 1045 C00138 KIDHWZJUCRJVML-UHFFFAOYSA-N pseudo uridine 813899 217 1688 86:237.0 88:11.0 89:59.0 98:89.0 99:253.0 100:1259.0 101:467.0 102:246.0 103:1528.0 104:31.0 105:44.0 106:207.0 107:166.0 109:7.0 110:112.0 111:375.0 113:146.0 114:80.0 115:64.0 116:328.0 117:474.0 118:55.0 122:3.0 124:1.0 125:164.0 127:342.0 128:214.0 129:1201.0 130:286.0 131:481.0 132:107.0 133:1244.0 134:252.0 136:17.0 137:5.0 140:118.0 141:89.0 142:644.0 143:887.0 144:172.0 145:62.0 147:4539.0 148:445.0 149:337.0 150:116.0 151:2.0 154:38.0 155:24.0 157:175.0 158:206.0 159:110.0 160:40.0 161:40.0 164:26.0 166:61.0 168:25.0 169:17.0 171:22.0 172:115.0 173:30.0 174:800.0 175:136.0 176:8.0 177:65.0 178:6.0 180:1.0 181:7.0 182:1.0 183:6.0 185:91.0 189:243.0 190:16.0 191:131.0 192:29.0 193:107.0 194:34.0 195:53.0 196:10.0 197:1.0 198:16.0 201:467.0 202:66.0 203:3.0 204:120.0 213:11.0 214:36.0 215:679.0 216:135.0 217:14462.0 218:2884.0 219:1244.0 220:165.0 221:79.0 222:23.0 223:5.0 228:1.0 230:434.0 231:113.0 232:18.0 233:3.0 239:74.0 240:30.0 241:38.0 243:3.0 251:47.0 253:18.0 254:44.0 255:82.0 256:3.0 257:7.0 262:17.0 265:47.0 267:239.0 268:17.0 269:572.0 270:83.0 271:29.0 272:1.0 280:32.0 281:81.0 282:61.0 283:191.0 284:39.0 285:39.0 286:16.0 291:38.0 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85:187.0 88:116.0 99:41.0 100:66.0 101:16.0 103:96.0 109:24.0 110:3.0 113:34.0 114:48.0 116:62.0 117:22.0 126:6.0 127:56.0 128:38.0 130:33.0 134:136.0 147:48.0 151:152.0 152:36.0 156:4170.0 157:475.0 158:163.0 168:30.0 171:57.0 181:23.0 184:125.0 186:10.0 193:50.0 216:8.0 227:24.0 230:88.0 231:22.0 299:135.0 300:78.0 304:20.0 318:8.0 363:26.0 391:1.0 400:3.0 407:6.0 410:5.0 435:5.0 467:3.0 487:21.0 499:1.0 500:1.0 6931662 C00408 HXEACLLIILLPRG-RXMQYKEDSA-N pinitol 622466 260 16544 85:9395.0 86:1247.0 87:3795.0 88:1582.0 89:101591.0 90:8600.0 91:6349.0 92:451.0 93:526.0 94:227.0 95:1533.0 96:175.0 97:1364.0 98:1082.0 99:8159.0 100:1129.0 101:11924.0 102:3254.0 103:78294.0 104:7604.0 105:5939.0 106:408.0 107:576.0 108:301.0 109:3162.0 110:453.0 111:5748.0 112:942.0 113:3906.0 114:782.0 115:5105.0 116:17470.0 117:11099.0 118:1686.0 119:8789.0 120:980.0 121:694.0 122:26.0 123:511.0 124:135.0 125:1071.0 126:454.0 127:4572.0 128:1170.0 129:87537.0 130:9735.0 131:38797.0 132:5617.0 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301:298.0 302:98.0 304:34.0 305:61.0 306:18.0 312:26.0 315:1242.0 316:352.0 317:86.0 331:32.0 333:488.0 334:173.0 335:22.0 341:35.0 357:819.0 358:274.0 359:100.0 360:35.0 369:17.0 373:13.0 374:29.0 380:13.0 386:178.0 387:1766.0 388:664.0 389:398.0 390:128.0 391:11.0 392:44.0 395:34.0 396:35.0 397:23.0 398:38.0 405:49.0 414:27.0 416:10.0 422:9.0 425:21.0 428:14.0 429:52.0 431:20.0 436:24.0 438:30.0 440:22.0 444:23.0 449:7.0 454:19.0 459:16.0 469:26.0 471:86.0 472:23.0 475:27.0 91493 C00345 BIRSGZKFKXLSJQ-SQOUGZDYSA-N phosphoethanolamine 604335 299 41988 85:4482.0 86:63617.0 87:12014.0 88:3644.0 89:3383.0 90:821.0 91:1349.0 92:430.0 93:340.0 94:5.0 95:45.0 96:789.0 97:261.0 98:2892.0 99:2491.0 100:203982.0 101:23440.0 102:10502.0 103:8600.0 104:1871.0 105:4659.0 106:990.0 107:3114.0 108:204.0 109:543.0 111:145.0 112:388.0 113:3848.0 114:98861.0 115:59768.0 116:15091.0 117:9619.0 118:1800.0 119:8190.0 120:1538.0 121:5493.0 122:606.0 123:1961.0 124:515.0 125:85.0 128:62.0 129:2129.0 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226:2086.0 227:2518.0 228:393.0 229:88.0 230:53.0 231:38.0 232:392.0 233:79.0 234:40.0 235:71.0 236:964.0 237:366.0 238:344.0 239:228.0 240:775.0 241:761.0 242:179.0 243:172.0 244:8.0 246:5.0 247:38.0 249:281.0 250:97.0 251:28.0 252:391.0 253:729.0 254:353.0 255:865.0 256:158.0 257:127.0 265:118.0 266:127.0 267:794.0 268:625.0 269:1892.0 270:458.0 271:262.0 272:45.0 273:4.0 276:35.0 278:27.0 280:14.0 281:87.0 282:212.0 283:7536.0 284:2227.0 285:2163.0 286:428.0 287:268.0 288:37.0 290:3.0 291:51.0 294:170.0 295:109.0 296:24.0 297:188.0 298:5767.0 299:122279.0 300:32289.0 301:17320.0 302:3081.0 303:1002.0 304:54.0 305:98.0 306:74.0 307:99.0 308:150.0 309:224.0 310:2417.0 311:689.0 312:412.0 313:1724.0 314:9778.0 315:25666.0 316:7519.0 317:3548.0 318:701.0 319:256.0 320:102.0 321:109.0 322:35.0 323:37.0 324:53.0 325:132.0 326:4887.0 327:1738.0 328:21639.0 329:5681.0 330:3172.0 331:674.0 332:106.0 334:22.0 335:2.0 337:21.0 340:99.0 341:1329.0 342:343.0 343:144.0 350:31.0 352:25.0 353:7.0 354:3.0 355:71.0 356:134.0 357:68.0 358:22.0 359:14.0 366:3.0 367:28.0 371:101.0 372:68.0 373:176.0 374:88.0 383:63.0 384:103.0 386:291.0 387:1347.0 388:541.0 389:283.0 390:28.0 398:115.0 399:44.0 400:25.0 401:38.0 402:6.0 413:316.0 414:7758.0 415:3240.0 416:1706.0 417:509.0 418:131.0 420:7.0 429:155.0 431:19.0 435:6.0 454:6.0 470:12.0 471:17.0 492:1.0 1015 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N phosphoenolpyruvate 518184 211 1685 85:722.0 87:475.0 88:135.0 89:540.0 91:470.0 92:190.0 93:453.0 94:75.0 95:114.0 98:478.0 99:505.0 100:235.0 101:256.0 102:52.0 103:1316.0 104:188.0 105:852.0 106:273.0 107:249.0 108:154.0 109:372.0 111:44.0 112:32.0 113:98.0 114:132.0 115:2290.0 116:478.0 117:879.0 118:282.0 119:1600.0 120:274.0 121:1440.0 122:140.0 123:412.0 124:34.0 126:75.0 128:64.0 129:1559.0 130:357.0 131:2281.0 132:277.0 133:13459.0 134:1940.0 135:6709.0 136:843.0 137:2395.0 138:223.0 139:203.0 140:2.0 141:176.0 142:323.0 143:381.0 144:136.0 145:245.0 147:28163.0 148:4670.0 149:2780.0 150:284.0 151:1366.0 152:154.0 153:321.0 154:36.0 155:55.0 156:6.0 157:124.0 158:21.0 159:158.0 160:21.0 161:460.0 162:52.0 163:161.0 164:1.0 165:595.0 166:105.0 167:634.0 168:105.0 169:112.0 170:4.0 171:301.0 172:58.0 173:93.0 176:11.0 177:328.0 178:42.0 179:583.0 180:104.0 181:2743.0 182:393.0 183:1047.0 184:10.0 185:106.0 186:2.0 188:84.0 189:3018.0 190:495.0 191:1767.0 192:343.0 193:1272.0 194:169.0 195:2688.0 196:437.0 197:750.0 198:73.0 199:321.0 200:87.0 201:173.0 202:12.0 203:97.0 204:25.0 205:117.0 206:20.0 207:2539.0 208:451.0 209:747.0 210:1854.0 211:18732.0 212:2828.0 213:2024.0 214:856.0 215:349.0 216:158.0 217:12422.0 218:2369.0 219:1048.0 220:77.0 221:293.0 222:87.0 223:459.0 224:122.0 225:4441.0 226:821.0 227:4392.0 228:650.0 229:406.0 230:26.0 231:29.0 232:14.0 233:14.0 235:3.0 237:215.0 238:832.0 239:197.0 240:103.0 241:43.0 242:115.0 243:3165.0 244:519.0 245:233.0 247:2.0 248:12.0 250:17.0 251:126.0 252:61.0 253:100.0 254:49.0 255:249.0 256:95.0 257:44.0 258:16.0 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493:16.0 500:13.0 58114173 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N phosphate 345365 314 4 85:2157.0 86:4845.0 87:5305.0 88:1544.0 89:6178.0 90:913.0 91:5486.0 92:639.0 93:1090.0 94:256.0 95:178.0 96:901.0 97:221.0 98:1216.0 99:626.0 100:3524.0 103:17906.0 104:4250.0 105:12326.0 106:1911.0 107:7514.0 108:751.0 109:2429.0 110:239.0 112:225.0 113:1044.0 114:607.0 115:23611.0 116:3246.0 117:2166.0 118:1082.0 119:15220.0 120:2183.0 121:11456.0 122:1330.0 123:5152.0 124:478.0 125:397.0 126:608.0 130:541.0 131:11922.0 132:2542.0 133:82619.0 134:12079.0 135:30184.0 136:3182.0 137:17801.0 138:1549.0 139:1516.0 140:106.0 141:38.0 143:303.0 144:110.0 145:852.0 146:352.0 147:11829.0 148:2149.0 149:2002.0 150:962.0 151:12734.0 152:1341.0 153:2065.0 154:229.0 155:225.0 157:186.0 161:725.0 162:345.0 163:2689.0 164:611.0 165:6169.0 166:1281.0 167:5995.0 168:802.0 169:702.0 170:270.0 171:601.0 172:427.0 173:309.0 174:8375.0 175:1438.0 176:1170.0 177:3097.0 178:1271.0 179:3751.0 180:1142.0 181:17093.0 182:2582.0 183:6047.0 184:1278.0 185:815.0 186:332.0 187:214.0 188:347.0 189:5568.0 190:1226.0 191:21424.0 192:4536.0 193:26195.0 194:4803.0 195:6376.0 196:1216.0 197:1848.0 198:512.0 199:299.0 200:318.0 201:67.0 202:241.0 203:104.0 206:258.0 207:22356.0 208:4669.0 209:3774.0 210:1226.0 211:53568.0 212:8122.0 213:3966.0 214:536.0 215:251.0 216:68.0 221:1996.0 222:436.0 223:582.0 224:176.0 225:12691.0 226:2134.0 227:3444.0 228:478.0 229:232.0 230:91.0 233:94.0 235:47.0 237:160.0 238:106.0 239:393.0 240:107.0 241:154.0 242:18.0 243:76.0 244:60.0 248:39.0 249:62.0 250:82.0 251:135.0 252:114.0 253:953.0 254:289.0 255:766.0 256:327.0 257:133.0 258:64.0 261:72.0 263:51.0 266:12.0 267:931.0 268:405.0 269:1724.0 270:392.0 271:338.0 272:124.0 273:86.0 274:51.0 275:104.0 279:10.0 281:20.0 282:213.0 283:13073.0 284:3709.0 285:2127.0 286:429.0 287:69.0 288:68.0 290:87.0 291:16.0 292:60.0 294:88.0 296:13.0 297:172.0 298:3530.0 299:194352.0 300:49418.0 301:26327.0 302:4432.0 303:1082.0 304:228.0 305:87.0 306:177.0 307:170.0 308:128.0 309:164.0 310:108.0 311:123.0 312:74.0 313:765.0 314:25498.0 315:6708.0 316:3215.0 317:575.0 318:83.0 323:28.0 338:46.0 341:66.0 343:26.0 350:26.0 354:47.0 358:95.0 360:89.0 361:46.0 363:33.0 364:27.0 372:92.0 374:78.0 375:97.0 377:18.0 380:30.0 382:39.0 386:28.0 387:35.0 392:36.0 394:38.0 398:32.0 414:36.0 416:26.0 418:25.0 421:47.0 423:39.0 426:18.0 444:39.0 447:43.0 449:37.0 451:28.0 455:23.0 457:16.0 461:39.0 469:37.0 472:26.0 477:6.0 483:38.0 487:24.0 489:50.0 491:50.0 492:51.0 493:66.0 497:45.0 499:49.0 500:21.0 1004 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N phenylalanine 537804 192 33 85:116.0 86:960.0 87:386.0 88:130.0 89:524.0 90:333.0 91:7394.0 92:957.0 93:245.0 95:80.0 97:48.0 98:130.0 99:52.0 100:9746.0 101:1177.0 102:805.0 103:1034.0 104:243.0 105:388.0 107:71.0 113:39.0 114:39.0 115:219.0 116:165.0 117:780.0 118:464.0 119:424.0 120:416.0 121:430.0 122:59.0 123:39.0 129:97.0 130:1679.0 131:1133.0 132:1341.0 133:1146.0 134:336.0 135:293.0 136:49.0 138:34.0 139:49.0 140:25.0 141:29.0 142:42.0 144:83.0 145:192.0 146:426.0 147:6295.0 148:898.0 149:575.0 150:95.0 151:46.0 152:15.0 153:27.0 154:22.0 156:27.0 158:130.0 159:184.0 160:581.0 161:110.0 162:249.0 163:322.0 164:97.0 165:70.0 166:20.0 170:26.0 172:26.0 173:36.0 174:206.0 175:105.0 176:336.0 177:374.0 178:83.0 179:42.0 180:31.0 182:17.0 183:47.0 185:37.0 187:18.0 188:20.0 189:27.0 190:164.0 191:107.0 192:10455.0 193:1749.0 194:397.0 195:62.0 196:35.0 198:13.0 202:81.0 203:240.0 204:317.0 205:90.0 206:61.0 210:28.0 211:37.0 215:22.0 216:32.0 218:13238.0 219:2354.0 220:1006.0 221:86.0 235:21.0 239:14.0 266:599.0 267:219.0 268:127.0 270:27.0 277:22.0 278:36.0 279:36.0 282:33.0 284:20.0 286:21.0 294:142.0 295:52.0 297:44.0 299:31.0 300:16.0 301:35.0 308:20.0 310:28.0 311:13.0 313:29.0 314:18.0 315:27.0 317:24.0 320:28.0 324:23.0 326:26.0 329:14.0 331:30.0 334:43.0 336:14.0 337:20.0 339:24.0 341:15.0 343:21.0 346:21.0 351:14.0 352:22.0 362:20.0 363:27.0 364:29.0 366:13.0 367:28.0 369:16.0 374:14.0 375:32.0 378:28.0 380:21.0 382:28.0 385:20.0 386:35.0 389:14.0 390:25.0 392:18.0 393:22.0 394:14.0 402:32.0 403:23.0 404:21.0 406:22.0 407:27.0 411:38.0 413:23.0 414:18.0 416:15.0 418:23.0 419:43.0 420:23.0 421:23.0 422:19.0 423:21.0 424:35.0 425:43.0 426:20.0 427:43.0 429:31.0 434:15.0 436:37.0 437:24.0 438:20.0 440:36.0 443:18.0 447:36.0 450:19.0 451:21.0 452:13.0 469:19.0 479:21.0 481:25.0 499:12.0 6140 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N phenol 218927 151 31889 91:2045.0 92:161.0 93:334.0 94:209.0 95:2491.0 96:415.0 97:231.0 105:135.0 106:56.0 110:100.0 111:75.0 112:21.0 120:80.0 121:643.0 122:37.0 123:637.0 124:89.0 125:41.0 131:307.0 132:52.0 134:140.0 135:1287.0 136:193.0 137:125.0 145:37.0 149:73.0 150:28.0 151:15374.0 152:2150.0 153:646.0 154:68.0 166:3125.0 167:465.0 168:102.0 170:10.0 174:109.0 189:40.0 246:20.0 287:37.0 300:22.0 317:16.0 324:18.0 341:9.0 421:39.0 424:20.0 427:19.0 448:25.0 461:37.0 473:18.0 477:29.0 478:16.0 492:15.0 996 C00146 ISWSIDIOOBJBQZ-UHFFFAOYSA-N pentono-gamma-lactone 547150 244 131146 85:1147.0 86:340.0 87:1245.0 88:396.0 89:4353.0 90:410.0 91:124.0 94:124.0 95:283.0 96:111.0 97:332.0 98:221.0 101:4319.0 102:6707.0 103:9280.0 104:1094.0 105:665.0 106:104.0 107:70.0 108:89.0 109:60.0 111:695.0 112:166.0 113:1130.0 114:195.0 115:1361.0 116:577.0 117:16924.0 118:1664.0 119:1743.0 120:233.0 121:151.0 122:37.0 123:29.0 126:112.0 127:560.0 128:102.0 129:4192.0 130:4583.0 131:3811.0 132:891.0 133:9785.0 134:1491.0 135:1218.0 136:94.0 138:46.0 141:90.0 142:163.0 143:1485.0 144:163.0 145:318.0 146:81.0 147:17972.0 148:3131.0 149:5374.0 150:693.0 151:454.0 152:66.0 156:201.0 157:704.0 159:249.0 161:64.0 163:302.0 164:59.0 165:58.0 169:357.0 170:36.0 171:79.0 172:26.0 173:275.0 174:94.0 175:273.0 176:72.0 177:461.0 178:104.0 179:72.0 181:43.0 185:52.0 187:198.0 188:19.0 189:5360.0 190:1014.0 191:1361.0 192:144.0 193:202.0 196:38.0 201:497.0 202:122.0 203:2091.0 204:3749.0 205:1381.0 206:439.0 207:544.0 208:131.0 209:119.0 213:29.0 214:29.0 215:3834.0 216:915.0 217:7297.0 218:1717.0 219:929.0 221:352.0 222:32.0 224:9.0 225:33.0 226:34.0 229:46.0 230:457.0 231:3515.0 232:829.0 233:515.0 234:96.0 235:92.0 238:30.0 239:27.0 241:25.0 244:4680.0 245:1438.0 246:2771.0 247:627.0 248:220.0 249:146.0 250:43.0 251:44.0 252:11.0 254:18.0 259:1578.0 260:388.0 261:232.0 262:37.0 263:61.0 264:23.0 265:77.0 267:36.0 274:61.0 277:36.0 281:220.0 282:88.0 283:42.0 284:103.0 285:32.0 286:63.0 287:29.0 290:31.0 291:194.0 292:91.0 293:14.0 294:15.0 300:32.0 305:44.0 306:37.0 314:64.0 320:38.0 321:25.0 323:62.0 333:47.0 335:50.0 336:22.0 337:79.0 338:24.0 349:215.0 350:110.0 351:35.0 352:32.0 353:15.0 361:12.0 363:31.0 364:265.0 365:87.0 366:41.0 367:23.0 368:22.0 373:29.0 374:14.0 380:17.0 388:14.0 390:21.0 397:25.0 400:25.0 406:23.0 410:14.0 412:20.0 425:9.0 430:16.0 434:21.0 436:18.0 445:20.0 447:18.0 449:26.0 450:45.0 451:181.0 452:88.0 453:41.0 455:18.0 460:17.0 467:15.0 469:6.0 471:21.0 477:24.0 484:15.0 485:21.0 489:18.0 492:17.0 494:21.0 219575 CUOKHACJLGPRHD-UHFFFAOYSA-N pentadecanoic acid isomer 650127 117 473964 85:12890.0 86:8357.0 87:4504.0 88:3240.0 89:18156.0 90:4017.0 91:2156.0 93:2297.0 95:16344.0 96:4467.0 97:11248.0 98:5623.0 99:8603.0 100:4953.0 101:15768.0 102:2227.0 103:15972.0 104:1649.0 105:5307.0 106:1757.0 107:4523.0 109:5999.0 110:2607.0 111:7808.0 112:2475.0 113:3935.0 114:1069.0 115:5283.0 116:22687.0 117:364322.0 118:35610.0 119:18441.0 120:341.0 121:929.0 123:1321.0 125:4148.0 126:2262.0 127:1621.0 128:2166.0 129:221501.0 130:29821.0 131:66576.0 132:64713.0 133:26687.0 134:3486.0 135:3649.0 139:2336.0 141:4661.0 142:2160.0 143:8864.0 144:4467.0 145:96363.0 146:13904.0 147:69234.0 151:1038.0 154:1102.0 155:1914.0 157:15637.0 159:2693.0 162:2694.0 163:1357.0 167:1343.0 169:2381.0 171:1851.0 172:1910.0 173:12004.0 174:2423.0 175:1841.0 178:398.0 182:3199.0 183:1159.0 184:769.0 187:287.0 188:1105.0 189:4202.0 195:1988.0 196:856.0 197:493.0 199:467.0 200:502.0 201:3532.0 202:869.0 203:2532.0 204:7972.0 211:1443.0 212:169.0 215:1890.0 222:914.0 225:873.0 226:1097.0 227:727.0 228:723.0 230:969.0 231:3785.0 232:1523.0 241:3519.0 242:1409.0 243:1506.0 244:2113.0 245:3968.0 246:2113.0 247:802.0 254:785.0 255:1108.0 256:3920.0 257:8934.0 258:1832.0 259:1273.0 261:349.0 262:476.0 270:821.0 272:766.0 273:990.0 277:1207.0 283:441.0 285:1098.0 287:447.0 288:549.0 289:226.0 291:1402.0 293:798.0 294:522.0 297:373.0 298:381.0 299:33096.0 300:13719.0 301:4364.0 302:821.0 305:937.0 308:753.0 309:638.0 313:323.0 314:2804.0 315:1407.0 316:450.0 318:702.0 328:1687.0 329:666.0 330:92.0 333:1517.0 334:958.0 335:177.0 337:212.0 338:243.0 342:286.0 343:470.0 344:1722.0 345:313.0 346:209.0 347:373.0 351:331.0 352:158.0 354:99.0 355:117.0 358:327.0 360:60.0 361:384.0 363:230.0 365:198.0 368:166.0 370:207.0 372:101.0 373:634.0 375:577.0 377:124.0 381:24.0 382:208.0 383:275.0 384:139.0 385:155.0 386:119.0 389:1154.0 391:498.0 393:164.0 394:144.0 395:200.0 397:113.0 398:59.0 399:156.0 401:118.0 403:110.0 404:257.0 408:214.0 410:93.0 411:56.0 414:124.0 417:177.0 420:79.0 422:222.0 423:24.0 425:55.0 427:65.0 428:105.0 429:102.0 430:119.0 435:212.0 437:78.0 438:111.0 440:136.0 441:108.0 442:50.0 444:97.0 446:129.0 448:62.0 450:94.0 451:212.0 453:68.0 454:69.0 455:96.0 457:47.0 458:114.0 460:46.0 462:111.0 464:392.0 465:682.0 466:320.0 468:340.0 470:114.0 472:116.0 473:190.0 474:67.0 476:98.0 478:139.0 479:95.0 482:175.0 483:82.0 486:74.0 488:123.0 491:155.0 492:30.0 494:127.0 495:91.0 498:153.0 499:37.0 151014 ZOCYQVNGROEVLU-UHFFFAOYSA-N pentadecanoic acid 674647 117 1680 85:1079.0 86:936.0 87:668.0 88:311.0 89:1235.0 90:252.0 91:363.0 92:121.0 93:924.0 94:23.0 95:2663.0 96:207.0 97:1950.0 98:1682.0 99:1097.0 100:375.0 101:739.0 102:111.0 103:398.0 105:1755.0 106:21.0 107:560.0 109:714.0 110:435.0 111:832.0 112:533.0 113:210.0 114:84.0 115:386.0 116:3014.0 117:51588.0 118:5064.0 119:2265.0 120:57.0 121:350.0 122:9.0 123:205.0 124:23.0 125:265.0 126:192.0 127:184.0 128:189.0 129:22324.0 130:2896.0 131:8800.0 132:18309.0 133:3112.0 134:1429.0 135:121.0 136:2.0 137:75.0 139:96.0 140:121.0 141:128.0 142:1.0 143:1766.0 144:192.0 145:9487.0 146:1252.0 148:1.0 151:65.0 152:13.0 153:73.0 154:130.0 155:53.0 156:74.0 157:376.0 158:128.0 159:1112.0 160:219.0 161:10.0 165:16.0 167:6.0 168:140.0 169:52.0 170:27.0 171:831.0 172:176.0 173:320.0 174:1137.0 175:378.0 176:27.0 179:60.0 180:8.0 181:130.0 184:180.0 185:1045.0 186:101.0 187:580.0 188:187.0 189:29.0 190:30.0 195:37.0 199:271.0 200:101.0 201:1774.0 202:282.0 203:68.0 204:87.0 205:64.0 213:258.0 214:43.0 215:387.0 216:47.0 218:19.0 219:9.0 227:132.0 228:23.0 229:242.0 230:12.0 241:100.0 242:31.0 243:162.0 244:32.0 249:22.0 255:420.0 256:25.0 257:246.0 258:22.0 269:31.0 270:32.0 271:439.0 272:72.0 274:13.0 276:22.0 285:72.0 287:12.0 298:16.0 299:6916.0 300:1721.0 301:505.0 302:25.0 303:38.0 314:347.0 315:160.0 317:30.0 320:2.0 322:4.0 358:11.0 361:16.0 365:13.0 372:8.0 376:6.0 382:2.0 394:31.0 396:1.0 409:11.0 417:37.0 439:10.0 441:12.0 449:3.0 463:12.0 476:12.0 499:21.0 13849 C16537 WQEPLUUGTLDZJY-UHFFFAOYSA-N parabanic acid 464991 100 4944 86:184.0 100:2598.0 101:191.0 102:43.0 107:53.0 110:113.0 132:10.0 180:10.0 184:81.0 185:1.0 215:53.0 216:3.0 243:231.0 258:5.0 312:3.0 349:7.0 360:7.0 402:7.0 409:10.0 429:9.0 433:1.0 447:3.0 480:21.0 483:7.0 496:10.0 67126 C00802 ZFLIKDUSUDBGCD-UHFFFAOYSA-N pantothenic acid 690887 201 31356 86:142.0 87:115.0 88:61.0 89:123.0 91:147.0 93:29.0 97:25.0 98:459.0 100:211.0 101:202.0 102:407.0 103:6738.0 104:460.0 105:272.0 106:32.0 114:19.0 115:305.0 116:236.0 117:4122.0 118:351.0 119:205.0 120:33.0 121:29.0 122:19.0 124:194.0 128:128.0 129:1113.0 130:360.0 131:394.0 132:39.0 133:428.0 134:46.0 135:88.0 143:489.0 144:621.0 145:402.0 146:236.0 147:1702.0 148:191.0 149:222.0 156:34.0 157:2310.0 158:402.0 159:1325.0 160:173.0 161:30.0 163:50.0 166:44.0 172:86.0 173:26.0 174:60.0 175:28.0 176:45.0 177:34.0 186:54.0 188:41.0 191:33.0 199:26.0 200:13.0 201:1874.0 202:238.0 203:97.0 204:90.0 205:22.0 218:71.0 219:16.0 228:17.0 229:12.0 232:16.0 234:28.0 240:25.0 242:28.0 243:21.0 244:19.0 246:111.0 247:769.0 248:132.0 249:47.0 250:13.0 252:12.0 255:18.0 256:24.0 259:30.0 261:170.0 262:68.0 263:34.0 269:17.0 270:14.0 274:16.0 288:25.0 291:1539.0 292:312.0 293:121.0 302:21.0 312:19.0 316:19.0 330:39.0 332:43.0 373:13.0 420:156.0 429:13.0 450:12.0 458:16.0 464:14.0 478:15.0 487:19.0 497:18.0 6613 C12276 GHOKWGTUZJEAQD-ZETCQYMHSA-N panose 1189476 204 84382 88:137.0 89:780.0 90:89.0 95:39.0 97:93.0 99:89.0 100:141.0 101:402.0 102:210.0 103:3633.0 104:356.0 105:282.0 111:121.0 112:49.0 113:143.0 114:60.0 115:96.0 116:272.0 117:1771.0 118:80.0 120:50.0 123:39.0 125:91.0 127:344.0 129:1789.0 130:333.0 131:527.0 132:143.0 133:828.0 141:64.0 143:387.0 144:90.0 145:148.0 147:3308.0 148:744.0 150:76.0 151:55.0 153:120.0 154:28.0 155:263.0 156:94.0 157:274.0 158:94.0 159:89.0 160:517.0 161:124.0 167:31.0 169:1097.0 170:166.0 171:135.0 173:77.0 174:22.0 181:36.0 183:128.0 185:70.0 186:87.0 187:33.0 189:517.0 190:85.0 191:632.0 192:118.0 194:102.0 195:28.0 196:64.0 199:112.0 200:54.0 201:75.0 203:55.0 204:5413.0 205:1704.0 206:519.0 208:99.0 211:22.0 212:20.0 214:37.0 215:94.0 216:45.0 217:1668.0 218:393.0 219:131.0 221:172.0 223:48.0 224:34.0 227:42.0 228:23.0 229:102.0 230:107.0 231:243.0 232:77.0 233:97.0 234:55.0 235:42.0 236:20.0 241:55.0 243:507.0 244:159.0 245:145.0 247:40.0 248:31.0 254:30.0 256:21.0 258:39.0 260:51.0 261:30.0 267:84.0 268:55.0 271:725.0 272:242.0 273:116.0 274:56.0 275:21.0 276:29.0 277:27.0 278:17.0 281:129.0 282:45.0 289:29.0 291:29.0 292:33.0 293:26.0 294:18.0 297:47.0 302:38.0 303:24.0 304:34.0 305:79.0 306:50.0 309:26.0 314:39.0 318:52.0 319:177.0 320:80.0 321:50.0 325:20.0 327:51.0 328:41.0 329:28.0 330:15.0 331:86.0 332:84.0 333:34.0 341:19.0 343:22.0 345:52.0 356:34.0 360:99.0 361:1639.0 362:675.0 363:277.0 364:35.0 365:25.0 379:21.0 383:28.0 386:20.0 393:25.0 398:27.0 416:26.0 430:30.0 442:19.0 451:46.0 452:19.0 453:31.0 471:19.0 472:16.0 474:28.0 479:26.0 481:22.0 486:20.0 489:30.0 490:23.0 493:26.0 495:19.0 496:31.0 94448 ZCLAHGAZPPEVDX-MQHGYYCBSA-N palmitoleic acid 706508 311 96 85:405.0 86:127.0 87:100.0 88:106.0 89:342.0 90:32.0 91:410.0 92:134.0 93:696.0 94:296.0 95:1599.0 96:1826.0 97:1110.0 98:1428.0 99:386.0 100:76.0 101:299.0 102:133.0 105:458.0 107:371.0 108:267.0 109:604.0 110:792.0 111:403.0 112:293.0 113:104.0 114:41.0 115:49.0 116:721.0 117:8045.0 118:759.0 119:439.0 120:82.0 121:328.0 123:517.0 124:259.0 125:141.0 129:6070.0 130:660.0 131:1353.0 132:963.0 133:393.0 134:168.0 135:145.0 137:281.0 138:221.0 139:86.0 141:118.0 143:319.0 144:44.0 145:1616.0 146:223.0 149:109.0 150:25.0 151:111.0 152:430.0 153:80.0 155:189.0 157:147.0 158:37.0 159:195.0 161:94.0 165:90.0 166:53.0 169:87.0 171:212.0 172:132.0 173:66.0 180:29.0 183:38.0 184:57.0 185:378.0 187:84.0 188:29.0 192:32.0 193:58.0 194:315.0 195:32.0 197:17.0 198:17.0 199:298.0 200:59.0 201:122.0 202:18.0 207:119.0 213:74.0 214:47.0 223:23.0 225:37.0 226:43.0 227:35.0 230:41.0 236:158.0 238:15.0 241:43.0 243:22.0 244:61.0 252:35.0 281:31.0 310:29.0 311:766.0 312:227.0 313:73.0 314:25.0 321:21.0 326:88.0 327:36.0 330:30.0 335:38.0 340:13.0 342:29.0 349:19.0 372:26.0 375:17.0 380:25.0 382:40.0 385:42.0 387:27.0 391:18.0 399:25.0 401:24.0 402:25.0 406:27.0 408:41.0 409:32.0 411:38.0 415:39.0 416:26.0 417:18.0 422:36.0 423:16.0 427:22.0 429:26.0 430:23.0 431:25.0 445:35.0 446:17.0 449:35.0 450:26.0 451:26.0 454:56.0 455:48.0 458:48.0 459:20.0 464:24.0 465:24.0 466:29.0 467:36.0 470:29.0 471:17.0 472:32.0 474:51.0 482:27.0 483:28.0 484:19.0 485:24.0 488:36.0 489:59.0 492:45.0 493:36.0 494:35.0 495:35.0 497:41.0 500:59.0 445638 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N palmitic acid overloaded 713121 313 171301 85:11510.0 88:1238.0 89:6921.0 90:2065.0 91:4146.0 92:777.0 93:7306.0 94:1233.0 95:22254.0 96:229.0 98:9374.0 99:9026.0 100:2883.0 101:6406.0 102:1850.0 107:3722.0 108:614.0 109:4673.0 112:4295.0 113:857.0 114:1076.0 115:4166.0 116:16946.0 117:273088.0 118:29371.0 119:3525.0 120:841.0 121:2815.0 122:551.0 123:553.0 124:884.0 125:2230.0 127:2028.0 129:115328.0 130:16938.0 131:40050.0 132:101004.0 133:14764.0 134:6436.0 139:1015.0 142:806.0 143:12011.0 145:48508.0 146:8077.0 148:743.0 153:798.0 154:1222.0 155:1164.0 156:426.0 157:3973.0 158:720.0 160:164.0 161:478.0 163:208.0 164:133.0 166:73.0 169:439.0 172:610.0 173:252.0 174:1364.0 177:310.0 178:178.0 179:146.0 181:579.0 183:335.0 185:5022.0 188:286.0 189:513.0 191:576.0 193:183.0 194:155.0 197:318.0 199:1046.0 200:474.0 201:11216.0 203:417.0 210:270.0 211:223.0 221:354.0 223:163.0 225:153.0 227:1748.0 230:400.0 234:36.0 235:51.0 241:1126.0 244:157.0 245:278.0 246:322.0 248:38.0 250:100.0 254:105.0 257:1513.0 258:609.0 260:230.0 262:140.0 266:85.0 269:2070.0 271:811.0 272:1000.0 273:55.0 286:828.0 300:323.0 303:205.0 312:1137.0 314:878.0 315:2629.0 316:2969.0 317:849.0 321:116.0 324:56.0 330:455.0 331:725.0 332:408.0 336:52.0 338:51.0 346:30.0 348:21.0 349:35.0 350:19.0 352:49.0 362:15.0 390:24.0 401:32.0 413:56.0 417:22.0 434:24.0 436:45.0 449:26.0 458:29.0 461:34.0 465:41.0 985 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N oxoproline 485935 156 10 85:3305.0 86:3646.0 88:224.0 89:349.0 92:90.0 93:31.0 94:268.0 97:300.0 98:1005.0 99:1224.0 100:2213.0 101:88.0 102:773.0 103:769.0 104:198.0 105:507.0 106:72.0 108:279.0 109:95.0 110:674.0 111:220.0 112:3321.0 113:1081.0 114:1752.0 115:792.0 116:101.0 117:1281.0 118:207.0 119:332.0 122:383.0 123:65.0 124:48.0 126:536.0 127:49.0 128:356.0 129:115.0 130:114.0 131:2158.0 132:618.0 133:4526.0 134:754.0 135:255.0 137:24.0 138:84.0 139:101.0 141:560.0 142:564.0 144:150.0 145:44.0 147:25073.0 148:3867.0 149:1964.0 150:231.0 151:110.0 152:34.0 153:44.0 154:924.0 155:543.0 156:125259.0 157:16525.0 158:5271.0 159:295.0 161:60.0 168:216.0 170:226.0 172:75.0 173:47.0 174:264.0 179:19.0 184:105.0 186:103.0 187:45.0 190:138.0 191:44.0 193:24.0 198:10.0 200:33.0 201:26.0 202:22.0 203:17.0 208:35.0 213:44.0 214:995.0 215:198.0 216:25.0 223:14.0 224:15.0 225:28.0 227:32.0 228:286.0 229:106.0 230:4024.0 231:965.0 232:370.0 233:55.0 234:53.0 235:19.0 239:27.0 240:29.0 241:28.0 242:9.0 243:34.0 244:41.0 248:17.0 249:23.0 250:33.0 252:30.0 254:23.0 256:70.0 257:53.0 258:5230.0 259:951.0 260:512.0 261:125.0 262:25.0 266:32.0 268:21.0 270:17.0 273:170.0 274:55.0 275:38.0 276:17.0 279:40.0 280:23.0 281:27.0 284:8.0 286:17.0 287:13.0 292:13.0 312:27.0 318:27.0 330:8.0 351:24.0 366:15.0 369:20.0 373:33.0 374:31.0 375:28.0 376:17.0 378:14.0 381:13.0 384:20.0 387:16.0 388:20.0 392:21.0 396:15.0 412:13.0 419:20.0 422:26.0 426:29.0 428:23.0 432:27.0 433:22.0 437:22.0 439:22.0 441:13.0 445:22.0 447:13.0 449:23.0 452:14.0 453:14.0 454:19.0 455:26.0 459:17.0 461:21.0 462:19.0 463:33.0 464:26.0 467:24.0 468:18.0 469:26.0 475:23.0 486:26.0 492:20.0 493:22.0 7405 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N ornithine 527113 142 1821 85:252.0 86:569.0 87:548.0 88:467.0 89:1118.0 90:393.0 94:104.0 95:111.0 96:181.0 97:341.0 98:542.0 99:225.0 100:4351.0 101:232.0 102:4646.0 103:662.0 104:345.0 105:178.0 106:63.0 107:181.0 108:4.0 109:6.0 110:358.0 111:16.0 112:222.0 113:200.0 114:874.0 115:3565.0 116:287.0 117:1730.0 118:380.0 119:233.0 124:193.0 125:16.0 126:683.0 128:2450.0 129:1396.0 130:1712.0 131:801.0 132:778.0 133:1042.0 134:241.0 136:87.0 139:109.0 140:164.0 141:423.0 142:23875.0 143:3872.0 144:2986.0 145:327.0 146:1013.0 147:4795.0 148:658.0 149:565.0 150:74.0 151:111.0 152:39.0 153:690.0 154:92.0 155:103.0 157:36.0 158:255.0 159:17.0 160:116.0 161:18.0 162:1782.0 163:711.0 164:109.0 167:167.0 168:251.0 169:425.0 170:315.0 171:757.0 172:710.0 173:6.0 174:259.0 175:50.0 176:158.0 178:12.0 184:112.0 185:65.0 186:386.0 187:48.0 188:162.0 189:147.0 190:67.0 192:82.0 200:226.0 201:110.0 202:170.0 203:174.0 204:1119.0 205:188.0 206:102.0 209:7.0 210:90.0 211:20.0 213:39.0 214:35.0 216:965.0 218:537.0 219:454.0 220:58.0 221:4.0 225:51.0 226:121.0 227:66.0 228:74.0 231:106.0 232:158.0 233:167.0 234:1.0 235:51.0 236:110.0 237:84.0 240:41.0 241:246.0 243:909.0 244:975.0 245:253.0 249:17.0 251:9.0 258:286.0 259:274.0 260:109.0 262:88.0 264:5.0 267:15.0 271:26.0 273:26.0 274:17.0 276:110.0 277:1.0 286:46.0 288:60.0 292:48.0 299:181.0 300:7.0 302:88.0 319:7.0 320:14.0 321:1.0 322:103.0 328:14.0 331:9.0 335:9.0 336:7.0 337:4.0 339:34.0 345:1.0 346:32.0 347:19.0 348:447.0 349:223.0 350:81.0 351:87.0 352:19.0 353:3.0 357:47.0 358:9.0 362:33.0 363:11.0 364:36.0 366:25.0 369:39.0 371:58.0 377:39.0 379:29.0 402:24.0 403:2.0 405:21.0 406:26.0 407:4.0 408:107.0 409:4.0 410:41.0 413:7.0 418:73.0 419:1.0 420:21.0 421:1.0 422:21.0 427:56.0 431:52.0 434:17.0 440:31.0 441:56.0 444:70.0 447:19.0 449:17.0 455:34.0 456:6.0 458:17.0 460:4.0 462:60.0 464:39.0 465:24.0 469:4.0 471:20.0 474:65.0 475:2.0 481:1.0 482:20.0 490:14.0 494:18.0 496:19.0 500:34.0 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N oleic acid 781527 339 1677 85:2028.0 86:501.0 87:461.0 88:450.0 89:1770.0 90:92.0 91:1724.0 92:699.0 93:3684.0 94:1752.0 95:9636.0 96:12465.0 97:7980.0 98:8467.0 99:2044.0 100:150.0 101:659.0 103:66.0 104:2.0 105:1947.0 106:375.0 107:2215.0 108:1397.0 109:5311.0 110:4593.0 111:3398.0 112:1687.0 113:484.0 115:472.0 116:3914.0 117:40886.0 118:4347.0 119:3142.0 120:338.0 121:1983.0 122:672.0 123:2961.0 124:1887.0 125:1309.0 126:423.0 127:149.0 128:199.0 129:34074.0 130:4331.0 131:8342.0 132:8444.0 133:3782.0 134:1224.0 135:1378.0 136:332.0 137:1872.0 138:1600.0 139:640.0 140:137.0 141:288.0 142:9.0 143:2049.0 144:325.0 145:12234.0 146:1557.0 147:594.0 148:449.0 149:672.0 150:235.0 151:1059.0 152:1846.0 153:446.0 154:7.0 155:1030.0 156:213.0 157:960.0 158:189.0 159:878.0 161:382.0 162:178.0 163:245.0 164:183.0 165:658.0 166:865.0 167:403.0 168:187.0 169:805.0 170:310.0 171:1760.0 172:337.0 173:720.0 175:256.0 176:52.0 177:170.0 178:25.0 179:379.0 180:1377.0 181:387.0 182:57.0 183:1061.0 184:132.0 185:2870.0 186:398.0 187:515.0 188:360.0 189:216.0 190:42.0 191:73.0 192:2.0 193:348.0 194:140.0 195:146.0 196:23.0 197:188.0 198:50.0 199:3027.0 200:597.0 201:687.0 204:18.0 207:273.0 208:130.0 209:124.0 211:148.0 212:5.0 213:539.0 214:131.0 215:132.0 216:92.0 217:26.0 220:262.0 221:482.0 222:1212.0 223:262.0 224:32.0 225:65.0 227:560.0 228:139.0 229:201.0 230:48.0 231:50.0 234:25.0 235:218.0 236:277.0 237:47.0 238:14.0 239:153.0 240:6.0 241:476.0 242:97.0 243:77.0 246:114.0 248:26.0 250:10.0 252:52.0 254:43.0 255:256.0 256:55.0 257:153.0 258:92.0 264:1039.0 265:255.0 267:42.0 269:124.0 271:93.0 272:93.0 273:23.0 277:2.0 281:102.0 283:7.0 286:23.0 292:3.0 295:170.0 296:6.0 297:56.0 298:15.0 309:23.0 310:18.0 311:121.0 312:33.0 323:12.0 324:56.0 325:1.0 338:130.0 339:4680.0 340:1394.0 341:359.0 342:9.0 343:1.0 354:431.0 355:46.0 358:302.0 359:98.0 360:102.0 361:16.0 374:13.0 390:10.0 422:1.0 462:6.0 445639 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N oleamide 849710 144 20961 85:426.0 86:402.0 87:144.0 89:353.0 90:711.0 91:1369.0 92:194.0 93:400.0 94:235.0 95:556.0 96:526.0 97:627.0 98:214.0 99:199.0 100:1197.0 101:249.0 102:259.0 104:85.0 105:184.0 106:90.0 107:124.0 108:222.0 109:239.0 110:336.0 111:154.0 113:111.0 114:132.0 115:2827.0 116:11090.0 117:1116.0 118:448.0 119:161.0 120:59.0 121:55.0 122:381.0 123:147.0 124:172.0 125:88.0 126:316.0 127:230.0 128:10813.0 129:1513.0 130:1017.0 131:15183.0 132:1523.0 133:646.0 134:92.0 135:85.0 136:279.0 137:96.0 138:70.0 139:73.0 140:126.0 141:24.0 142:1006.0 143:186.0 144:10128.0 145:1593.0 146:433.0 147:258.0 148:135.0 151:91.0 152:98.0 153:44.0 154:230.0 155:142.0 156:240.0 157:149.0 158:962.0 159:164.0 160:109.0 162:32.0 163:55.0 164:79.0 165:60.0 167:55.0 168:109.0 169:188.0 170:501.0 171:142.0 172:240.0 173:149.0 176:49.0 180:52.0 182:158.0 184:1169.0 185:228.0 186:431.0 187:150.0 188:43.0 193:36.0 195:18.0 196:83.0 198:1370.0 199:222.0 200:647.0 201:101.0 202:32.0 203:44.0 207:99.0 208:34.0 209:49.0 210:125.0 212:305.0 213:104.0 214:117.0 215:70.0 216:42.0 220:63.0 222:31.0 224:110.0 226:448.0 227:105.0 228:103.0 229:48.0 238:193.0 240:323.0 241:85.0 242:54.0 243:36.0 251:14.0 252:191.0 254:257.0 258:18.0 260:48.0 261:16.0 262:19.0 266:59.0 268:173.0 269:64.0 270:75.0 282:115.0 283:50.0 291:25.0 293:16.0 294:44.0 296:54.0 297:31.0 298:47.0 299:49.0 305:29.0 308:29.0 311:55.0 317:33.0 322:21.0 337:66.0 338:848.0 339:307.0 340:69.0 353:248.0 354:157.0 355:71.0 364:33.0 368:16.0 373:19.0 386:34.0 394:30.0 395:34.0 402:16.0 404:32.0 405:13.0 407:24.0 412:16.0 417:40.0 422:41.0 433:27.0 436:38.0 440:36.0 441:12.0 443:30.0 448:29.0 449:46.0 454:26.0 459:32.0 462:35.0 468:39.0 473:37.0 474:25.0 475:25.0 477:19.0 478:45.0 482:48.0 486:43.0 5283387 C19670 FATBGEAMYMYZAF-KTKRTIGZSA-N noradrenaline 754841 174 108125 85:69.0 86:2013.0 87:307.0 88:81.0 89:62.0 92:25.0 97:67.0 100:786.0 101:131.0 102:80.0 103:132.0 104:29.0 105:30.0 111:31.0 112:28.0 113:33.0 114:51.0 115:44.0 116:65.0 117:112.0 119:56.0 121:31.0 122:36.0 125:46.0 130:237.0 131:228.0 132:29.0 133:249.0 134:49.0 135:51.0 138:27.0 142:32.0 144:48.0 145:51.0 146:51.0 147:840.0 148:142.0 149:106.0 157:20.0 158:24.0 159:53.0 161:34.0 172:26.0 174:9556.0 175:1539.0 176:650.0 177:125.0 178:20.0 179:330.0 180:46.0 190:34.0 191:61.0 192:39.0 193:125.0 202:31.0 224:23.0 234:16.0 235:22.0 237:81.0 251:61.0 252:20.0 267:37.0 300:19.0 306:21.0 327:33.0 340:20.0 347:18.0 350:31.0 352:45.0 353:20.0 355:323.0 356:111.0 357:57.0 364:25.0 366:28.0 422:28.0 424:33.0 428:22.0 445:25.0 457:17.0 476:27.0 494:28.0 439260 C00547 SFLSHLFXELFNJZ-QMMMGPOBSA-N nonadecanoic acid 822782 117 46258 85:1502.0 89:30.0 101:20.0 117:3559.0 118:308.0 129:1734.0 130:140.0 131:491.0 132:1487.0 134:55.0 135:25.0 145:565.0 146:4.0 150:7.0 159:47.0 173:18.0 185:102.0 187:34.0 201:139.0 213:2.0 241:13.0 246:10.0 283:25.0 285:5.0 313:22.0 327:21.0 328:30.0 339:2.0 341:7.0 346:3.0 354:7.0 355:315.0 356:200.0 357:42.0 358:14.0 364:1.0 403:4.0 428:8.0 484:8.0 12591 C16535 ISYWECDDZWTKFF-UHFFFAOYSA-N N-methyl-UMP 974825 169 84922 85:28.0 86:48.0 87:183.0 89:217.0 92:174.0 93:138.0 94:91.0 95:208.0 96:508.0 97:468.0 98:209.0 99:978.0 100:227.0 101:662.0 102:270.0 103:356.0 104:117.0 107:49.0 108:57.0 109:454.0 110:126.0 111:230.0 112:180.0 113:625.0 114:69.0 115:439.0 116:277.0 117:241.0 118:58.0 119:216.0 121:181.0 122:31.0 123:149.0 124:166.0 125:243.0 126:557.0 127:621.0 128:186.0 129:1679.0 130:235.0 131:210.0 132:172.0 133:1891.0 134:156.0 135:540.0 136:185.0 137:256.0 138:286.0 139:187.0 140:415.0 141:255.0 142:278.0 143:727.0 145:176.0 147:1729.0 148:953.0 149:628.0 150:156.0 151:242.0 152:37.0 153:251.0 154:201.0 155:150.0 156:160.0 157:128.0 158:61.0 159:69.0 161:61.0 165:92.0 166:127.0 167:121.0 168:295.0 169:8803.0 170:1355.0 171:977.0 172:93.0 173:43.0 175:34.0 177:193.0 179:98.0 180:38.0 181:381.0 182:19.0 183:851.0 184:196.0 185:45.0 186:53.0 187:54.0 189:74.0 190:25.0 191:93.0 192:15.0 194:84.0 195:46.0 196:25.0 197:208.0 198:284.0 199:249.0 200:55.0 201:15.0 202:21.0 203:56.0 204:161.0 205:102.0 206:44.0 207:124.0 208:129.0 209:117.0 211:1894.0 212:243.0 213:38.0 214:51.0 215:895.0 216:76.0 217:613.0 218:74.0 219:59.0 221:33.0 223:84.0 225:428.0 226:134.0 227:573.0 228:174.0 229:171.0 230:770.0 231:255.0 232:114.0 234:52.0 235:68.0 236:34.0 237:56.0 238:66.0 241:126.0 242:7.0 243:796.0 244:72.0 245:95.0 247:62.0 253:185.0 255:58.0 257:116.0 258:156.0 259:207.0 260:53.0 261:74.0 262:48.0 266:59.0 268:40.0 269:63.0 274:41.0 279:18.0 282:64.0 283:78.0 284:45.0 285:202.0 288:53.0 290:54.0 292:38.0 293:51.0 294:272.0 295:41.0 296:19.0 297:95.0 298:57.0 299:1717.0 300:369.0 301:163.0 302:79.0 303:32.0 307:53.0 308:53.0 312:48.0 313:27.0 314:159.0 315:2750.0 316:706.0 317:339.0 318:152.0 319:47.0 320:31.0 321:47.0 322:14.0 323:12.0 325:12.0 326:25.0 327:86.0 328:134.0 329:57.0 330:72.0 332:38.0 335:37.0 336:35.0 337:50.0 339:27.0 340:72.0 341:79.0 342:85.0 344:7.0 345:22.0 346:41.0 348:6.0 349:54.0 351:23.0 352:28.0 353:28.0 354:57.0 355:58.0 356:75.0 357:35.0 359:19.0 361:58.0 362:29.0 363:46.0 364:40.0 367:7.0 369:95.0 370:153.0 371:78.0 372:106.0 373:109.0 374:64.0 375:28.0 377:53.0 378:45.0 380:36.0 381:36.0 382:19.0 383:6.0 384:67.0 387:72.0 388:53.0 396:37.0 398:38.0 401:7.0 402:66.0 404:72.0 405:44.0 410:19.0 412:68.0 416:64.0 417:14.0 419:43.0 422:31.0 429:20.0 430:39.0 431:10.0 434:21.0 435:17.0 436:14.0 438:70.0 440:35.0 442:77.0 444:38.0 445:54.0 447:49.0 449:53.0 450:6.0 451:22.0 452:53.0 453:37.0 457:55.0 458:28.0 460:62.0 461:35.0 464:57.0 465:47.0 467:30.0 468:36.0 469:44.0 470:21.0 471:27.0 472:35.0 475:8.0 477:17.0 478:60.0 482:59.0 483:46.0 484:71.0 485:29.0 486:64.0 487:31.0 490:17.0 492:26.0 493:38.0 495:27.0 496:40.0 497:38.0 498:33.0 44602426 KZSHODFDDQCIMT-ZOQUXTDFSA-N nicotinic acid 353428 180 327312 85:19018.0 86:3339.0 90:88561.0 91:8298.0 92:6075.0 93:12160.0 94:8292.0 95:4960.0 96:5731.0 97:1868.0 98:2143.0 99:6104.0 104:1919.0 105:11104.0 106:1027060.0 107:76462.0 108:4911.0 109:12893.0 110:12042.0 111:2544.0 112:1008.0 113:1931.0 119:1112.0 120:17045.0 121:3311.0 122:14905.0 123:13783.0 124:2292.0 125:1080.0 126:1605.0 131:1316.0 132:1743.0 136:920400.0 137:120093.0 138:34850.0 139:2402.0 146:302.0 150:4628.0 151:1124.0 152:2908.0 153:567.0 154:84.0 155:604.0 156:597.0 157:754.0 159:605.0 160:527.0 162:1509.0 163:750.0 164:3782.0 165:1234.0 166:2356.0 167:828.0 168:866.0 169:830.0 176:793.0 178:504.0 179:5418.0 180:1585101.0 181:230610.0 182:67359.0 183:5082.0 194:7670.0 195:56076.0 196:8839.0 197:2769.0 198:260.0 215:85.0 243:91.0 255:146.0 266:109.0 269:142.0 281:303.0 290:75.0 298:75.0 302:81.0 305:92.0 306:68.0 311:123.0 320:17.0 322:62.0 324:92.0 328:144.0 330:91.0 331:44.0 332:96.0 336:60.0 337:36.0 343:171.0 347:81.0 351:52.0 356:59.0 357:136.0 367:86.0 372:56.0 374:96.0 375:72.0 381:71.0 383:56.0 388:75.0 398:70.0 400:32.0 401:65.0 404:50.0 405:56.0 407:112.0 417:151.0 427:73.0 434:81.0 435:78.0 437:55.0 442:60.0 449:71.0 467:64.0 468:66.0 477:63.0 481:81.0 485:47.0 489:71.0 491:122.0 492:48.0 498:44.0 938 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N nicotinamide 471602 179 84542 86:209.0 89:162.0 90:198.0 92:127.0 93:263.0 94:195.0 100:836.0 102:136.0 103:220.0 104:2595.0 105:4174.0 106:810.0 108:61.0 119:174.0 120:170.0 122:157.0 123:39.0 135:126.0 136:6136.0 137:808.0 138:240.0 139:45.0 148:164.0 150:54.0 151:55.0 161:87.0 163:218.0 164:32.0 165:80.0 166:33.0 175:86.0 178:33.0 179:15388.0 180:2109.0 181:675.0 182:48.0 193:1190.0 194:529.0 195:117.0 936 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N N-alpha-acetyllysine 737044 174 513917 85:423.0 86:3197.0 87:527.0 88:350.0 94:163.0 98:697.0 100:1427.0 101:220.0 102:490.0 104:111.0 105:233.0 108:133.0 110:116.0 111:188.0 112:71.0 113:83.0 114:148.0 116:744.0 118:278.0 119:146.0 121:78.0 125:107.0 130:762.0 131:404.0 133:416.0 134:251.0 137:65.0 142:307.0 144:195.0 146:324.0 149:202.0 156:1339.0 158:282.0 160:42.0 168:120.0 172:330.0 173:77.0 174:16290.0 175:3111.0 176:1120.0 182:86.0 186:681.0 187:26.0 188:152.0 190:53.0 195:69.0 196:53.0 198:193.0 199:49.0 200:217.0 213:74.0 214:68.0 215:61.0 216:134.0 226:28.0 227:47.0 228:312.0 229:101.0 230:64.0 242:109.0 243:36.0 257:49.0 258:40.0 266:34.0 278:159.0 279:75.0 280:60.0 284:33.0 288:20.0 301:76.0 303:74.0 307:28.0 316:48.0 319:14.0 328:84.0 329:140.0 331:156.0 332:26.0 333:94.0 341:58.0 355:59.0 369:35.0 371:29.0 372:42.0 375:65.0 381:28.0 382:26.0 384:24.0 389:194.0 390:76.0 391:62.0 404:60.0 419:40.0 421:27.0 425:21.0 435:20.0 444:22.0 474:28.0 479:22.0 483:32.0 485:23.0 487:25.0 497:33.0 499:23.0 192590 VEYYWZRYIYDQJM-UHFFFAOYSA-N N-acetylneuraminic acid 913814 246 31556 87:2.0 88:19.0 89:1300.0 90:56.0 91:7.0 93:21.0 94:23.0 95:42.0 96:295.0 98:116.0 99:213.0 100:234.0 101:531.0 102:111.0 103:2211.0 104:276.0 105:35.0 106:63.0 107:79.0 111:31.0 112:119.0 113:26.0 114:304.0 115:184.0 116:1308.0 117:1566.0 118:184.0 119:106.0 121:35.0 122:115.0 123:113.0 124:32.0 125:26.0 126:253.0 128:489.0 129:735.0 130:200.0 131:808.0 132:513.0 133:1833.0 134:323.0 135:253.0 137:14.0 138:60.0 139:57.0 140:115.0 141:32.0 142:193.0 143:423.0 144:520.0 145:126.0 146:50.0 147:3328.0 148:538.0 149:147.0 152:47.0 153:78.0 154:202.0 155:132.0 156:330.0 157:298.0 158:362.0 159:76.0 163:196.0 165:51.0 166:37.0 167:97.0 168:150.0 170:177.0 171:192.0 172:253.0 173:425.0 174:156.0 175:95.0 180:34.0 181:159.0 182:126.0 183:89.0 184:161.0 185:42.0 186:327.0 187:26.0 188:24.0 189:229.0 190:107.0 192:22.0 194:71.0 195:117.0 196:98.0 197:103.0 198:100.0 200:155.0 202:37.0 203:112.0 204:372.0 205:908.0 206:163.0 207:384.0 208:56.0 209:105.0 210:99.0 211:24.0 212:17.0 213:37.0 214:126.0 215:35.0 216:63.0 217:2099.0 218:417.0 219:149.0 220:24.0 221:127.0 222:54.0 223:41.0 224:47.0 225:76.0 226:16.0 227:369.0 228:89.0 229:134.0 230:94.0 231:72.0 232:61.0 236:2.0 237:50.0 240:33.0 242:21.0 244:25.0 246:2060.0 247:426.0 248:200.0 250:4.0 251:13.0 253:173.0 254:98.0 255:3.0 256:33.0 258:271.0 259:14.0 260:47.0 261:32.0 265:6.0 266:26.0 267:30.0 268:31.0 269:22.0 270:7.0 271:182.0 272:170.0 273:3.0 274:46.0 275:16.0 277:67.0 283:37.0 284:166.0 285:60.0 286:50.0 289:4.0 290:794.0 291:283.0 292:81.0 293:17.0 294:11.0 297:5.0 298:32.0 300:176.0 301:15.0 302:10.0 304:2.0 305:27.0 306:31.0 307:35.0 308:2.0 312:21.0 313:119.0 314:93.0 315:39.0 318:35.0 319:237.0 320:102.0 321:19.0 322:31.0 325:2.0 328:33.0 329:16.0 330:158.0 331:18.0 332:5.0 343:9.0 344:261.0 345:39.0 346:34.0 348:23.0 356:40.0 358:1.0 359:5.0 360:23.0 361:35.0 373:60.0 374:59.0 375:14.0 385:1.0 390:1.0 391:25.0 402:32.0 403:27.0 404:40.0 411:2.0 419:119.0 420:51.0 421:15.0 434:34.0 442:7.0 443:8.0 447:22.0 448:2.0 453:1.0 462:35.0 463:113.0 464:75.0 465:11.0 466:1.0 475:33.0 480:30.0 490:7.0 494:5.0 439197 C00270 SQVRNKJHWKZAKO-LUWBGTNYSA-N N-acetylmethionine 568445 99 211177 87:98.0 88:98.0 98:282.0 99:2508.0 100:230.0 104:709.0 112:478.0 116:615.0 125:34.0 130:323.0 146:181.0 153:31.0 155:163.0 158:50.0 159:23.0 160:88.0 165:28.0 172:54.0 173:58.0 189:787.0 197:136.0 198:27.0 202:53.0 212:29.0 300:17.0 321:17.0 330:19.0 342:25.0 346:16.0 348:12.0 351:8.0 357:29.0 358:35.0 364:18.0 368:16.0 390:20.0 395:18.0 398:7.0 405:19.0 407:21.0 412:13.0 419:20.0 421:29.0 423:21.0 431:30.0 434:15.0 436:20.0 438:34.0 440:19.0 442:27.0 454:17.0 482:18.0 485:17.0 448580 C02712 XUYPXLNMDZIRQH-LURJTMIESA-N N-acetylmannosamine 723255 202 110343 85:627.0 86:261.0 87:21356.0 88:1373.0 89:5326.0 90:130.0 91:161.0 95:237.0 96:68.0 97:1088.0 98:343.0 99:1634.0 100:2143.0 101:1471.0 102:1075.0 103:9375.0 104:938.0 105:1028.0 107:87.0 108:134.0 109:278.0 111:454.0 112:509.0 113:954.0 114:629.0 115:703.0 116:3570.0 117:10573.0 118:1265.0 119:647.0 120:158.0 122:136.0 123:291.0 124:123.0 125:136.0 126:277.0 127:331.0 128:962.0 129:16447.0 130:3216.0 131:3281.0 132:1286.0 133:6166.0 134:438.0 135:149.0 137:248.0 138:58.0 140:42.0 141:1434.0 142:316.0 143:1702.0 144:1107.0 145:329.0 146:190.0 147:18808.0 148:3552.0 149:2323.0 150:140.0 153:893.0 154:952.0 155:488.0 157:4243.0 158:2100.0 159:570.0 161:55.0 162:41.0 163:384.0 165:121.0 166:88.0 168:313.0 169:675.0 170:704.0 171:2653.0 173:5548.0 174:1158.0 175:84.0 177:135.0 178:16.0 180:14.0 184:226.0 185:748.0 186:872.0 187:280.0 189:1900.0 190:477.0 191:510.0 192:134.0 194:27.0 195:343.0 196:241.0 197:149.0 198:137.0 200:810.0 201:588.0 202:8508.0 203:1305.0 204:1920.0 205:8310.0 206:1430.0 207:844.0 208:107.0 209:162.0 210:301.0 211:207.0 212:393.0 213:1335.0 214:244.0 215:230.0 216:103.0 217:3185.0 221:188.0 222:38.0 223:133.0 225:171.0 226:20.0 227:304.0 228:120.0 229:833.0 230:291.0 231:1428.0 232:218.0 233:43.0 234:15.0 236:26.0 237:189.0 238:319.0 239:97.0 241:36.0 242:96.0 243:2060.0 244:493.0 245:223.0 246:329.0 247:92.0 248:39.0 250:54.0 252:13.0 253:29.0 254:40.0 255:338.0 256:115.0 257:45.0 258:71.0 259:77.0 260:19.0 261:49.0 262:19.0 263:25.0 264:23.0 265:53.0 269:302.0 270:80.0 271:28.0 274:1973.0 275:432.0 276:56.0 278:116.0 283:50.0 284:72.0 285:249.0 286:96.0 288:22.0 289:54.0 290:12.0 292:45.0 294:13.0 296:39.0 297:25.0 298:23.0 299:96.0 300:113.0 301:114.0 302:78.0 303:151.0 304:65.0 305:209.0 306:51.0 307:88.0 309:26.0 310:14.0 311:23.0 312:72.0 313:43.0 314:41.0 315:18.0 316:12.0 317:19.0 318:21.0 319:3357.0 320:887.0 321:437.0 322:81.0 323:22.0 327:146.0 330:24.0 332:42.0 333:1104.0 334:367.0 335:137.0 336:46.0 341:33.0 342:63.0 344:11.0 345:138.0 346:33.0 347:35.0 352:28.0 354:15.0 357:18.0 358:46.0 361:21.0 365:47.0 366:40.0 374:25.0 375:12.0 376:25.0 377:19.0 379:14.0 390:42.0 391:20.0 392:54.0 401:37.0 402:58.0 406:30.0 410:21.0 411:15.0 412:27.0 419:27.0 421:31.0 424:15.0 425:76.0 426:5.0 428:29.0 429:19.0 430:19.0 431:22.0 432:37.0 433:33.0 434:33.0 435:67.0 436:39.0 438:36.0 439:35.0 440:13.0 441:13.0 442:48.0 444:16.0 446:25.0 447:21.0 451:23.0 452:30.0 453:13.0 454:20.0 457:13.0 460:44.0 462:29.0 464:52.0 466:13.0 470:20.0 471:28.0 480:23.0 481:24.0 482:12.0 487:17.0 490:29.0 491:15.0 495:12.0 498:12.0 11096158 OVRNDRQMDRJTHS-OZRXBMAMSA-N N-acetylglycine 356109 174 97747 86:561.0 87:403.0 88:644.0 89:35.0 99:219.0 100:176.0 101:274.0 102:648.0 104:5441.0 105:335.0 106:5.0 107:486.0 110:168.0 114:460.0 116:32.0 117:38.0 121:7.0 127:384.0 130:6095.0 131:81.0 132:3092.0 133:35.0 136:105.0 138:17.0 139:26.0 143:55.0 144:59.0 145:3349.0 146:531.0 171:15.0 174:3449.0 175:233.0 176:69.0 180:58.0 182:18.0 184:378.0 195:12.0 199:51.0 207:70.0 211:93.0 241:33.0 242:3.0 257:5.0 265:4.0 266:16.0 272:13.0 280:3.0 286:5.0 288:15.0 293:7.0 299:432.0 300:155.0 301:47.0 311:4.0 312:7.0 314:86.0 315:32.0 316:8.0 318:5.0 320:15.0 322:37.0 327:13.0 328:21.0 337:9.0 339:4.0 344:4.0 349:3.0 350:14.0 352:7.0 360:12.0 361:25.0 366:5.0 370:15.0 371:12.0 372:2.0 373:15.0 375:8.0 380:24.0 393:7.0 394:8.0 395:20.0 397:23.0 398:4.0 402:3.0 406:6.0 413:5.0 420:14.0 425:6.0 427:42.0 432:24.0 434:8.0 441:11.0 442:6.0 445:10.0 448:1.0 453:8.0 454:1.0 455:12.0 456:20.0 457:8.0 463:12.0 465:9.0 468:6.0 472:10.0 479:6.0 480:4.0 481:7.0 482:25.0 483:29.0 484:49.0 490:7.0 492:1.0 493:6.0 496:29.0 10972 C02055 OKJIRPAQVSHGFK-UHFFFAOYSA-N N-acetylaspartic acid 548028 158 4081 85:424.0 86:274.0 87:183.0 88:123.0 93:100.0 94:61.0 95:123.0 98:237.0 99:211.0 100:820.0 101:420.0 102:186.0 103:219.0 104:72.0 107:36.0 109:95.0 110:133.0 111:191.0 112:302.0 113:107.0 114:107.0 115:220.0 116:1962.0 117:4292.0 118:543.0 119:205.0 120:45.0 121:29.0 123:35.0 124:18.0 128:132.0 129:1942.0 130:860.0 131:1103.0 132:1033.0 133:678.0 134:131.0 135:58.0 137:52.0 138:25.0 139:83.0 141:46.0 142:642.0 143:109.0 144:1199.0 145:624.0 146:252.0 147:1572.0 148:266.0 149:297.0 151:35.0 155:93.0 156:56.0 157:132.0 158:3465.0 159:580.0 160:1711.0 161:203.0 162:102.0 163:31.0 166:17.0 167:26.0 170:34.0 171:110.0 172:201.0 173:129.0 174:83.0 179:19.0 184:139.0 185:132.0 186:262.0 187:147.0 201:162.0 202:982.0 203:136.0 204:70.0 207:49.0 214:212.0 215:44.0 216:38.0 217:182.0 222:28.0 227:15.0 228:17.0 229:99.0 230:19.0 232:51.0 233:19.0 234:40.0 235:17.0 236:14.0 242:21.0 245:363.0 246:110.0 247:42.0 251:20.0 253:25.0 254:20.0 255:19.0 257:566.0 258:149.0 259:66.0 262:25.0 263:36.0 265:28.0 266:28.0 271:16.0 272:24.0 273:14.0 274:14.0 275:127.0 276:121.0 279:26.0 283:20.0 285:18.0 287:39.0 292:20.0 297:17.0 298:16.0 300:31.0 304:317.0 309:24.0 311:29.0 319:21.0 321:12.0 326:19.0 327:27.0 328:17.0 329:21.0 331:14.0 332:24.0 335:39.0 338:13.0 342:20.0 344:20.0 345:12.0 346:20.0 348:16.0 350:21.0 351:22.0 354:35.0 356:22.0 357:25.0 359:21.0 360:22.0 361:30.0 362:28.0 363:17.0 367:14.0 369:32.0 370:21.0 374:31.0 377:32.0 378:26.0 380:24.0 382:30.0 386:17.0 389:13.0 390:19.0 395:19.0 397:26.0 399:21.0 403:19.0 405:20.0 407:29.0 409:37.0 428:32.0 432:28.0 436:23.0 437:38.0 443:18.0 444:13.0 447:26.0 449:24.0 450:22.0 451:30.0 452:20.0 455:34.0 459:41.0 468:31.0 473:35.0 477:20.0 486:20.0 488:23.0 491:13.0 497:26.0 500:15.0 65065 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N myristic acid 634414 285 127 85:1672.0 86:922.0 87:259.0 88:617.0 89:2301.0 90:194.0 91:565.0 93:1089.0 94:262.0 95:2947.0 96:479.0 97:1977.0 98:1752.0 99:1650.0 100:382.0 101:1406.0 104:452.0 105:1305.0 106:321.0 107:394.0 108:204.0 109:725.0 110:354.0 111:699.0 112:710.0 116:3547.0 117:55137.0 118:5160.0 119:1775.0 120:155.0 121:314.0 122:68.0 123:74.0 124:132.0 125:204.0 128:186.0 129:23236.0 130:2963.0 131:10163.0 132:11889.0 133:3977.0 134:251.0 135:196.0 137:213.0 142:380.0 143:1660.0 144:258.0 145:6827.0 146:1002.0 154:132.0 157:1595.0 158:190.0 159:829.0 160:108.0 165:86.0 167:466.0 168:55.0 171:571.0 172:167.0 173:1219.0 174:373.0 182:85.0 184:132.0 185:1121.0 186:96.0 187:483.0 188:195.0 190:289.0 194:89.0 195:15.0 197:77.0 199:354.0 200:238.0 201:1314.0 202:210.0 210:76.0 213:352.0 214:117.0 215:254.0 216:112.0 222:61.0 225:68.0 226:54.0 227:76.0 228:80.0 229:237.0 230:251.0 236:18.0 238:15.0 239:50.0 240:46.0 241:393.0 242:363.0 243:137.0 244:281.0 246:56.0 250:55.0 251:52.0 253:35.0 255:197.0 256:135.0 257:304.0 258:149.0 265:135.0 266:9.0 267:40.0 268:20.0 270:86.0 271:172.0 273:243.0 274:51.0 281:39.0 285:4066.0 286:965.0 287:455.0 288:81.0 289:46.0 292:47.0 302:41.0 306:80.0 313:35.0 314:11.0 315:14.0 316:113.0 321:192.0 322:27.0 325:23.0 327:25.0 329:41.0 330:45.0 334:24.0 337:8.0 338:30.0 339:17.0 344:39.0 346:67.0 347:84.0 359:31.0 368:8.0 377:45.0 385:12.0 390:23.0 391:18.0 393:30.0 403:17.0 405:18.0 439:24.0 441:22.0 461:23.0 466:59.0 467:34.0 469:28.0 491:18.0 11005 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N myo-inositol 730022 305 1741 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 892 C00137 CDAISMWEOUEBRE-UHFFFAOYSA-N montanic acid 1087377 117 84087 85:565.0 86:54.0 87:44.0 89:121.0 91:64.0 93:90.0 95:616.0 96:181.0 97:819.0 98:542.0 99:172.0 100:8.0 101:22.0 105:185.0 107:24.0 108:28.0 109:212.0 111:357.0 112:73.0 113:12.0 116:368.0 117:8406.0 118:752.0 119:300.0 121:123.0 123:28.0 125:48.0 129:3840.0 130:481.0 131:970.0 132:4101.0 133:1170.0 134:287.0 135:19.0 137:4.0 143:338.0 145:3044.0 146:313.0 148:1.0 154:30.0 157:2.0 159:182.0 160:35.0 163:76.0 171:106.0 173:28.0 174:9.0 176:7.0 177:11.0 181:13.0 182:8.0 185:284.0 186:40.0 187:190.0 188:33.0 191:1.0 192:3.0 193:120.0 195:6.0 201:495.0 202:54.0 203:40.0 207:308.0 208:90.0 213:21.0 214:6.0 215:13.0 216:6.0 227:12.0 228:12.0 237:4.0 241:11.0 243:7.0 257:16.0 281:110.0 282:57.0 298:3.0 325:35.0 334:20.0 342:18.0 346:5.0 355:15.0 361:4.0 388:6.0 415:32.0 430:6.0 437:17.0 439:8.0 453:32.0 455:4.0 457:11.0 459:2.0 480:11.0 481:195.0 482:156.0 483:64.0 484:13.0 495:12.0 496:48.0 497:93.0 10470 UTOPWMOLSKOLTQ-UHFFFAOYSA-N methylmalonic acid 311617 147 8205 85:4457.0 86:12157.0 87:5846.0 88:1456.0 89:2309.0 90:819.0 91:713.0 92:92.0 93:166.0 94:6729.0 95:587.0 97:334.0 98:90.0 99:3563.0 100:10354.0 101:3021.0 102:2605.0 103:4920.0 104:1610.0 105:3023.0 106:635.0 107:526.0 108:115.0 109:86.0 110:184.0 111:131.0 112:43.0 113:16823.0 114:2237.0 115:10903.0 116:13124.0 117:11538.0 118:1872.0 119:2549.0 120:5975.0 121:661.0 122:426.0 123:76.0 124:49.0 125:78.0 126:18.0 127:577.0 128:282.0 129:9843.0 130:6441.0 131:17612.0 132:3298.0 133:24410.0 134:3619.0 135:2085.0 136:299.0 137:28.0 138:279.0 139:166.0 140:27.0 141:442.0 142:161.0 143:2814.0 145:850.0 146:605.0 147:472956.0 148:75629.0 149:40337.0 150:4302.0 151:1351.0 152:137.0 153:11.0 154:644.0 155:282.0 156:18.0 157:9007.0 158:1108.0 159:655.0 160:113.0 161:176.0 162:93.0 163:2110.0 164:336.0 165:280.0 166:20.0 169:75.0 170:4487.0 171:743.0 172:3141.0 173:885.0 174:398.0 175:1028.0 176:155.0 179:2.0 181:2.0 182:7.0 183:37.0 184:158.0 185:684.0 186:834.0 187:595.0 188:612.0 189:1044.0 190:1064.0 191:650.0 192:635.0 193:102.0 194:35.0 195:45.0 196:6.0 197:26.0 198:23.0 199:17.0 201:57.0 202:64.0 203:5146.0 204:1300.0 205:439.0 206:119.0 207:39.0 208:40.0 210:12.0 211:76.0 213:352.0 214:32.0 215:18.0 216:2.0 217:816.0 218:14797.0 219:3322.0 220:1439.0 221:218.0 222:44.0 224:7.0 226:21.0 227:30.0 228:108.0 229:26.0 230:64.0 231:9447.0 232:2183.0 233:1045.0 234:139.0 235:74.0 236:54.0 238:3.0 242:145.0 243:17.0 245:111.0 246:14.0 247:16059.0 248:3452.0 249:1665.0 250:238.0 251:23.0 253:203.0 254:10.0 260:22.0 262:1582.0 263:421.0 264:176.0 266:3.0 269:1.0 272:5.0 273:36.0 277:6.0 281:97.0 282:13.0 285:1665.0 286:324.0 287:118.0 288:3.0 296:16.0 298:34.0 299:11.0 300:127.0 301:41.0 302:31.0 303:7.0 326:2.0 329:3.0 330:6.0 334:22.0 339:1.0 367:1.0 368:5.0 369:3.0 370:4.0 376:28.0 379:11.0 384:27.0 386:6.0 390:5.0 391:8.0 403:12.0 404:1.0 430:24.0 433:2.0 437:34.0 441:7.0 444:8.0 453:1.0 456:2.0 458:1.0 462:29.0 468:2.0 469:23.0 480:22.0 483:9.0 484:5.0 488:4.0 489:15.0 492:14.0 487 C02170 ZIYVHBGGAOATLY-UHFFFAOYSA-N methionine sulfoxide 637588 128 1678 85:111.0 86:364.0 88:603.0 89:480.0 90:1509.0 91:197.0 92:84.0 93:154.0 95:15.0 97:671.0 98:290.0 99:172.0 100:3967.0 101:724.0 102:1925.0 103:992.0 104:302.0 105:398.0 108:181.0 110:1218.0 111:125.0 112:950.0 113:82.0 114:1237.0 115:308.0 116:243.0 117:622.0 118:349.0 119:370.0 120:31.0 126:441.0 127:60.0 128:36136.0 129:5558.0 130:2232.0 131:472.0 132:667.0 133:2030.0 134:1330.0 136:77.0 138:1.0 140:9884.0 141:638.0 143:55.0 144:505.0 146:380.0 147:4820.0 148:757.0 149:610.0 150:71.0 151:84.0 157:49.0 158:144.0 159:352.0 160:1359.0 161:311.0 162:266.0 163:247.0 164:45.0 169:14.0 171:3.0 172:234.0 173:91.0 174:5.0 175:42.0 176:149.0 177:86.0 178:109.0 183:7.0 184:291.0 185:19.0 186:113.0 188:427.0 189:86.0 190:4.0 191:349.0 193:3.0 201:27.0 202:2187.0 203:476.0 204:164.0 205:152.0 206:114.0 207:83.0 213:14.0 216:58.0 217:555.0 218:1713.0 219:444.0 220:125.0 221:79.0 222:28.0 227:1.0 228:68.0 229:113.0 230:7.0 231:13.0 232:170.0 233:83.0 234:24.0 243:124.0 244:54.0 245:34.0 246:45.0 247:186.0 248:830.0 249:237.0 250:91.0 254:1.0 256:7.0 257:16.0 258:52.0 260:292.0 261:47.0 262:1.0 265:208.0 276:202.0 277:12.0 278:632.0 279:82.0 280:88.0 285:4.0 299:5.0 300:46.0 301:7690.0 302:1276.0 303:801.0 304:95.0 305:194.0 318:126.0 319:1.0 336:23.0 343:2.0 348:23.0 359:1.0 360:7.0 375:185.0 377:26.0 413:14.0 418:110.0 419:14.0 437:28.0 473:12.0 158980 C02989 QEFRNWWLZKMPFJ-YGVKFDHGSA-N methionine 483560 176 45 86:209.0 87:157.0 88:89.0 92:28.0 96:49.0 98:179.0 100:943.0 101:113.0 102:175.0 103:199.0 104:109.0 105:441.0 107:31.0 114:409.0 115:107.0 117:136.0 118:21.0 122:14.0 128:6524.0 129:603.0 130:496.0 131:1184.0 132:354.0 134:118.0 144:59.0 145:49.0 146:97.0 147:486.0 148:243.0 149:200.0 151:51.0 159:53.0 160:202.0 161:47.0 162:43.0 163:30.0 164:16.0 172:30.0 174:90.0 175:14.0 176:5168.0 177:722.0 178:375.0 179:63.0 181:18.0 184:26.0 187:28.0 188:179.0 189:50.0 192:17.0 195:32.0 200:36.0 202:297.0 203:128.0 204:26.0 206:36.0 218:197.0 219:341.0 220:144.0 221:12.0 232:121.0 243:25.0 250:223.0 251:39.0 252:28.0 257:15.0 266:26.0 270:19.0 277:18.0 278:32.0 279:13.0 285:24.0 292:16.0 293:161.0 295:33.0 301:18.0 305:14.0 307:18.0 308:14.0 322:26.0 331:18.0 351:27.0 357:13.0 375:33.0 462:14.0 477:15.0 6137 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N methanolphosphate 289520 241 5393 91:189.0 98:118.0 99:213.0 109:13.0 110:42.0 115:116.0 117:125.0 118:94.0 119:81.0 121:107.0 122:6.0 123:105.0 130:13.0 133:646.0 134:53.0 135:408.0 136:125.0 137:176.0 143:34.0 144:4.0 151:78.0 158:18.0 160:2.0 163:856.0 164:67.0 165:58.0 167:92.0 168:16.0 181:147.0 184:128.0 195:233.0 198:4.0 210:1.0 211:438.0 212:72.0 213:19.0 225:3.0 228:46.0 239:1.0 241:2338.0 242:433.0 243:249.0 244:9.0 256:169.0 257:14.0 282:5.0 301:9.0 308:8.0 313:2.0 385:2.0 396:4.0 461:16.0 13130 CAAULPUQFIIOTL-UHFFFAOYSA-N melibiose 988497 361 4730 87:30.0 88:14.0 89:775.0 90:43.0 96:163.0 99:91.0 100:296.0 101:841.0 102:257.0 103:3880.0 104:223.0 105:205.0 109:146.0 113:136.0 114:48.0 116:215.0 117:1162.0 118:29.0 125:3.0 129:2842.0 130:613.0 131:483.0 133:1258.0 134:133.0 135:18.0 137:14.0 138:29.0 139:3.0 140:57.0 141:70.0 142:53.0 143:226.0 145:162.0 147:3683.0 148:373.0 149:291.0 150:67.0 153:61.0 154:4.0 155:526.0 156:117.0 157:540.0 158:101.0 159:47.0 160:1690.0 161:781.0 162:278.0 163:389.0 164:70.0 165:91.0 169:1889.0 170:278.0 171:145.0 172:61.0 173:100.0 176:31.0 177:71.0 179:124.0 180:16.0 181:34.0 183:32.0 186:4.0 187:56.0 189:436.0 190:7.0 191:1183.0 192:239.0 193:124.0 195:89.0 197:97.0 198:12.0 201:163.0 202:211.0 203:325.0 204:5949.0 205:1345.0 206:592.0 207:485.0 208:329.0 209:154.0 210:22.0 212:34.0 214:45.0 215:17.0 216:3.0 217:2929.0 218:791.0 219:477.0 220:7.0 224:80.0 225:31.0 227:26.0 229:69.0 230:122.0 231:221.0 232:116.0 233:111.0 234:57.0 235:108.0 236:7.0 237:115.0 239:129.0 240:14.0 243:750.0 244:167.0 245:251.0 246:97.0 247:145.0 248:12.0 249:174.0 250:7.0 251:101.0 253:113.0 254:47.0 255:17.0 256:46.0 257:77.0 259:70.0 261:9.0 263:41.0 264:5.0 265:71.0 266:44.0 268:64.0 271:584.0 272:150.0 273:302.0 274:65.0 275:121.0 276:46.0 277:125.0 278:19.0 279:85.0 280:72.0 281:472.0 283:40.0 284:66.0 285:16.0 287:11.0 290:25.0 291:99.0 292:5.0 293:42.0 295:96.0 296:89.0 297:74.0 298:2.0 300:54.0 303:11.0 305:210.0 306:149.0 307:183.0 309:9.0 312:50.0 313:60.0 314:1.0 317:41.0 318:69.0 319:379.0 320:236.0 321:76.0 322:2.0 323:75.0 324:34.0 326:111.0 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263:55.0 265:113.0 268:92.0 269:85.0 270:164.0 271:2272.0 272:493.0 273:455.0 274:164.0 275:63.0 289:121.0 291:369.0 298:50.0 302:72.0 303:164.0 304:92.0 305:191.0 306:305.0 307:207.0 308:57.0 313:44.0 316:43.0 317:218.0 318:10.0 319:728.0 321:194.0 322:42.0 325:85.0 326:37.0 331:384.0 332:441.0 333:279.0 334:117.0 335:38.0 336:41.0 345:174.0 346:179.0 351:45.0 356:31.0 357:52.0 359:102.0 360:551.0 361:15325.0 362:4725.0 363:2273.0 364:545.0 365:265.0 366:34.0 367:48.0 369:46.0 372:39.0 375:22.0 378:62.0 379:77.0 385:36.0 392:99.0 393:75.0 399:27.0 403:78.0 405:6.0 407:61.0 408:48.0 436:73.0 450:80.0 451:131.0 452:85.0 453:40.0 454:35.0 92817 C08243 QWIZNVHXZXRPDR-WSCXOGSTSA-N mannose 645856 205 70 85:142.0 89:1499.0 90:197.0 97:127.0 100:159.0 101:419.0 103:3780.0 104:287.0 105:648.0 112:23.0 113:305.0 114:520.0 115:388.0 116:86.0 117:2228.0 118:207.0 119:568.0 124:18.0 125:22.0 129:3108.0 131:511.0 133:1928.0 134:567.0 135:210.0 141:65.0 143:275.0 144:234.0 147:7354.0 150:205.0 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418:39.0 419:56.0 420:60.0 421:113.0 422:36.0 423:37.0 424:33.0 426:25.0 427:54.0 428:49.0 429:63.0 430:66.0 432:66.0 433:83.0 434:56.0 435:121.0 436:88.0 437:45.0 438:39.0 439:38.0 440:36.0 441:42.0 443:29.0 444:40.0 445:36.0 446:39.0 447:60.0 448:99.0 449:96.0 450:263.0 451:805.0 452:454.0 453:245.0 454:100.0 455:46.0 456:31.0 457:19.0 458:21.0 460:43.0 462:17.0 463:53.0 464:94.0 465:74.0 466:71.0 467:56.0 468:40.0 469:36.0 470:45.0 471:26.0 472:40.0 473:30.0 474:54.0 475:80.0 476:84.0 477:73.0 478:152.0 479:267.0 480:1115.0 481:722.0 482:370.0 483:155.0 485:36.0 486:21.0 487:65.0 488:39.0 489:42.0 490:41.0 492:32.0 493:43.0 494:38.0 495:47.0 496:47.0 497:50.0 499:13.0 500:16.0 439586 C01835 FYGDTMLNYKFZSV-DZOUCCHMSA-N maltose 946601 361 1979 85:18.0 86:40.0 87:38.0 89:640.0 90:50.0 94:3.0 95:51.0 96:226.0 97:52.0 98:60.0 99:10.0 100:262.0 101:31.0 102:157.0 103:2571.0 104:171.0 105:231.0 108:7.0 109:86.0 111:17.0 112:13.0 113:130.0 114:62.0 116:82.0 117:1560.0 118:98.0 119:98.0 125:5.0 127:10.0 128:39.0 129:1849.0 130:331.0 131:223.0 132:24.0 133:813.0 134:81.0 140:25.0 141:77.0 142:107.0 143:428.0 145:58.0 147:3256.0 148:427.0 149:324.0 150:26.0 151:72.0 153:172.0 154:645.0 155:415.0 156:509.0 157:424.0 158:111.0 159:44.0 160:636.0 161:170.0 162:19.0 163:205.0 164:29.0 165:12.0 167:23.0 168:29.0 169:1498.0 170:149.0 171:74.0 173:51.0 174:285.0 175:35.0 177:64.0 179:112.0 180:55.0 183:16.0 184:2.0 185:19.0 189:468.0 190:38.0 191:829.0 192:158.0 193:141.0 195:14.0 198:67.0 199:25.0 201:40.0 203:320.0 204:4249.0 205:1631.0 206:496.0 208:114.0 210:84.0 212:27.0 213:4.0 215:9.0 216:59.0 217:2396.0 218:581.0 219:223.0 220:68.0 221:182.0 222:39.0 224:3.0 225:17.0 226:21.0 229:144.0 230:46.0 231:198.0 232:58.0 233:75.0 234:9.0 235:1.0 239:35.0 240:58.0 241:13.0 242:16.0 243:478.0 244:130.0 245:97.0 246:25.0 247:96.0 248:12.0 250:47.0 253:12.0 254:8.0 255:2.0 256:5.0 257:34.0 259:48.0 262:31.0 267:41.0 268:121.0 270:12.0 271:435.0 272:78.0 273:36.0 274:7.0 276:31.0 277:35.0 279:21.0 281:38.0 283:32.0 287:14.0 293:2.0 295:3.0 300:85.0 301:6.0 304:12.0 305:57.0 306:8.0 311:4.0 312:28.0 316:2.0 317:32.0 319:490.0 320:177.0 321:32.0 322:21.0 325:25.0 327:37.0 329:34.0 331:120.0 332:35.0 344:21.0 345:23.0 355:21.0 356:47.0 360:65.0 361:2593.0 362:908.0 363:420.0 364:61.0 365:43.0 366:24.0 368:5.0 370:6.0 375:15.0 378:8.0 379:19.0 383:1.0 388:12.0 390:30.0 391:7.0 398:50.0 400:33.0 401:44.0 415:58.0 420:25.0 423:9.0 426:1.0 451:20.0 453:2.0 477:8.0 480:84.0 481:2.0 482:8.0 486:18.0 494:39.0 495:20.0 439186 C00208 GUBGYTABKSRVRQ-PICCSMPSSA-N malonic acid 305372 233 16918 85:1026.0 86:1326.0 87:4220.0 88:2045.0 89:1145.0 90:185.0 91:256.0 93:120.0 94:177.0 95:78.0 96:135.0 97:304.0 98:370.0 99:12693.0 100:1810.0 101:5145.0 102:1329.0 103:2418.0 104:448.0 105:1540.0 107:59.0 108:167.0 109:3011.0 110:122.0 111:448.0 113:89.0 114:57.0 115:3728.0 116:2072.0 117:4257.0 118:696.0 119:863.0 120:61.0 122:131.0 124:104.0 126:90.0 127:206.0 130:370.0 131:7673.0 132:1197.0 133:10893.0 134:756.0 135:718.0 136:26.0 142:19.0 143:6135.0 144:614.0 145:238.0 146:486.0 147:256882.0 148:37671.0 149:20906.0 150:2075.0 151:512.0 152:667.0 153:174.0 154:3657.0 155:354.0 156:78.0 157:42.0 158:10.0 159:166.0 160:46.0 161:186.0 162:240.0 168:1714.0 169:758.0 173:694.0 174:243.0 175:5.0 185:67.0 186:4.0 189:1119.0 190:126.0 191:99.0 198:3.0 199:41.0 204:316.0 206:66.0 217:1244.0 218:176.0 219:84.0 226:10.0 232:9.0 233:9551.0 234:1502.0 235:769.0 236:103.0 248:1145.0 249:203.0 250:117.0 251:13.0 262:30.0 295:1.0 303:2.0 317:19.0 348:18.0 367:16.0 379:10.0 410:4.0 452:5.0 462:9.0 500:10.0 867 C00383 OFOBLEOULBTSOW-UHFFFAOYSA-N malic acid 463180 233 1391 85:66.0 87:316.0 88:106.0 89:148.0 90:42.0 95:37.0 99:129.0 101:4462.0 102:488.0 103:641.0 104:93.0 105:294.0 115:533.0 116:432.0 117:2305.0 118:259.0 119:501.0 120:70.0 121:62.0 124:21.0 129:385.0 131:1945.0 132:129.0 133:6850.0 134:1075.0 135:667.0 136:51.0 137:33.0 139:20.0 142:41.0 143:745.0 144:107.0 145:145.0 147:21089.0 148:2969.0 149:2528.0 150:99.0 151:286.0 153:24.0 158:12.0 159:29.0 163:56.0 171:746.0 172:65.0 173:152.0 174:39.0 175:1710.0 176:253.0 177:569.0 178:101.0 185:29.0 189:1905.0 190:1476.0 191:1353.0 192:105.0 193:115.0 203:199.0 204:80.0 205:117.0 206:14.0 207:77.0 217:657.0 219:91.0 220:35.0 221:361.0 222:30.0 226:29.0 233:2954.0 234:575.0 235:253.0 236:55.0 245:1680.0 246:276.0 247:169.0 251:18.0 259:16.0 260:68.0 263:317.0 264:135.0 265:542.0 266:32.0 267:81.0 268:33.0 274:13.0 286:17.0 291:28.0 305:75.0 306:146.0 307:460.0 308:93.0 309:61.0 312:12.0 319:144.0 320:48.0 321:21.0 324:26.0 335:201.0 336:131.0 337:48.0 342:19.0 344:33.0 348:21.0 352:19.0 353:20.0 355:17.0 366:24.0 368:29.0 369:15.0 371:25.0 377:16.0 380:20.0 395:9.0 411:23.0 413:12.0 415:19.0 416:19.0 423:31.0 427:13.0 443:17.0 447:16.0 454:16.0 455:15.0 456:33.0 464:16.0 466:14.0 473:12.0 474:15.0 499:28.0 525 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N maleimide 245118 154 1743 85:294.0 86:375.0 87:61.0 88:60.0 92:7.0 93:188.0 94:171.0 96:191.0 97:130.0 99:129.0 100:1406.0 101:44.0 102:144.0 103:750.0 105:72.0 107:179.0 110:1243.0 111:89.0 114:287.0 115:459.0 116:31.0 117:256.0 126:37.0 127:659.0 128:781.0 130:926.0 131:244.0 133:167.0 134:886.0 135:5.0 141:1.0 144:9.0 146:57.0 147:1899.0 149:79.0 150:32.0 154:6151.0 155:630.0 156:263.0 157:17.0 160:56.0 167:18.0 168:5.0 169:26.0 174:58.0 184:406.0 187:80.0 188:53.0 190:183.0 191:64.0 201:20.0 218:40.0 219:68.0 226:2.0 229:3.0 265:23.0 283:2.0 330:19.0 350:7.0 370:3.0 392:2.0 467:2.0 10935 C07272 PEEHTFAAVSWFBL-UHFFFAOYSA-N maleic acid 365746 245 486561 85:72282.0 86:13877.0 87:30961.0 88:6161.0 89:18207.0 90:2221.0 91:2306.0 92:1524.0 94:998.0 95:2713.0 96:1461.0 97:7811.0 98:77584.0 99:39201.0 100:10438.0 101:20152.0 102:12743.0 103:49866.0 104:7841.0 105:21408.0 106:2695.0 107:2509.0 109:508.0 111:11912.0 112:2428.0 113:50456.0 114:5861.0 115:159938.0 116:20395.0 117:59055.0 118:9676.0 119:20411.0 120:2580.0 121:1798.0 122:243.0 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246:35960.0 247:16484.0 248:1844.0 253:53.0 255:63.0 256:120.0 259:191.0 260:317.0 261:45.0 262:104.0 263:72.0 265:64.0 266:15.0 268:109.0 270:106.0 271:95.0 272:72.0 273:65.0 276:21.0 278:72.0 279:68.0 280:54.0 281:88.0 282:71.0 283:125.0 285:85.0 287:87.0 288:52.0 289:77.0 291:63.0 293:83.0 294:37.0 295:70.0 296:64.0 297:96.0 298:82.0 300:93.0 303:70.0 304:117.0 305:94.0 306:67.0 307:116.0 308:87.0 310:86.0 311:38.0 312:76.0 313:19.0 316:42.0 317:83.0 318:126.0 320:94.0 321:58.0 322:91.0 323:89.0 324:71.0 325:84.0 326:81.0 327:37.0 328:95.0 329:94.0 330:98.0 331:68.0 333:72.0 334:73.0 335:92.0 336:99.0 338:71.0 340:54.0 342:65.0 343:105.0 344:85.0 346:81.0 348:72.0 349:104.0 352:71.0 353:92.0 354:91.0 355:99.0 356:36.0 357:78.0 358:99.0 361:80.0 362:84.0 363:71.0 364:63.0 365:77.0 366:85.0 367:73.0 368:75.0 369:97.0 371:63.0 378:76.0 383:96.0 384:59.0 385:104.0 387:79.0 388:112.0 392:91.0 394:105.0 395:83.0 396:78.0 397:82.0 398:34.0 399:70.0 402:62.0 405:59.0 406:61.0 407:36.0 408:71.0 411:86.0 412:101.0 413:111.0 414:90.0 415:74.0 417:95.0 419:56.0 424:75.0 425:10.0 428:45.0 430:57.0 431:77.0 432:62.0 433:72.0 434:60.0 435:31.0 436:71.0 437:90.0 438:60.0 439:37.0 441:79.0 442:67.0 443:53.0 444:62.0 445:44.0 448:75.0 451:77.0 453:29.0 454:50.0 455:70.0 456:73.0 458:74.0 460:69.0 461:63.0 462:83.0 466:93.0 467:81.0 468:73.0 469:57.0 470:66.0 471:68.0 475:62.0 477:15.0 482:70.0 484:61.0 485:21.0 490:67.0 493:13.0 495:50.0 496:46.0 497:29.0 498:77.0 500:37.0 444266 VZCYOOQTPOCHFL-UPHRSURJSA-L lyxose 540818 217 360841 86:84.0 87:151.0 88:150.0 89:2738.0 90:255.0 91:147.0 100:725.0 101:866.0 102:397.0 103:16183.0 104:1583.0 105:958.0 112:39.0 113:133.0 114:181.0 115:222.0 116:195.0 117:2331.0 118:244.0 119:285.0 120:38.0 127:111.0 128:36.0 129:1766.0 130:290.0 131:842.0 132:128.0 133:1834.0 134:293.0 135:187.0 138:20.0 142:84.0 143:261.0 144:52.0 145:129.0 146:52.0 147:5147.0 148:807.0 149:544.0 157:106.0 158:86.0 159:27.0 160:1219.0 161:336.0 162:65.0 163:224.0 170:31.0 172:67.0 173:142.0 174:130.0 175:119.0 177:66.0 178:29.0 184:23.0 185:55.0 187:32.0 188:23.0 189:1473.0 190:291.0 191:367.0 192:60.0 197:25.0 198:28.0 201:51.0 202:27.0 203:108.0 204:505.0 205:666.0 206:155.0 212:17.0 214:33.0 216:30.0 217:5512.0 218:1128.0 219:605.0 220:97.0 221:69.0 227:27.0 228:21.0 229:26.0 231:99.0 232:25.0 233:447.0 234:150.0 235:61.0 236:25.0 240:22.0 243:18.0 244:21.0 245:28.0 247:17.0 248:25.0 256:40.0 257:22.0 260:15.0 261:18.0 262:102.0 263:18.0 270:21.0 274:29.0 277:380.0 278:174.0 279:68.0 288:21.0 289:17.0 291:25.0 298:18.0 304:23.0 306:22.0 307:1676.0 308:522.0 309:238.0 310:38.0 314:28.0 320:19.0 321:19.0 332:14.0 334:15.0 335:21.0 337:27.0 338:43.0 345:16.0 348:21.0 350:36.0 356:28.0 357:30.0 358:22.0 359:20.0 360:30.0 362:17.0 363:27.0 366:21.0 368:19.0 370:28.0 371:19.0 374:26.0 377:20.0 381:20.0 382:24.0 384:21.0 386:24.0 390:22.0 392:20.0 393:17.0 394:23.0 395:17.0 400:17.0 402:32.0 403:15.0 404:17.0 406:18.0 407:12.0 413:22.0 417:19.0 418:31.0 420:22.0 421:20.0 422:15.0 428:27.0 433:14.0 436:25.0 437:12.0 439:31.0 440:27.0 441:16.0 443:22.0 446:15.0 447:17.0 450:15.0 451:27.0 453:24.0 454:24.0 459:13.0 461:19.0 462:27.0 466:13.0 468:31.0 470:16.0 471:35.0 472:27.0 474:27.0 475:22.0 476:22.0 481:22.0 484:17.0 491:25.0 492:19.0 494:26.0 495:17.0 499:25.0 439240 C00476 SRBFZHDQGSBBOR-AGQMPKSLSA-N lysine 663483 317 12 85:2755.0 86:29130.0 87:3786.0 88:12077.0 89:1291.0 90:709.0 92:136.0 93:103.0 94:668.0 95:313.0 96:506.0 97:609.0 98:2819.0 99:1955.0 100:31497.0 101:4429.0 102:7671.0 103:3645.0 104:565.0 105:379.0 106:83.0 107:97.0 108:128.0 109:134.0 110:753.0 111:416.0 112:6522.0 113:2018.0 114:7116.0 115:10574.0 116:3465.0 117:4929.0 118:1028.0 119:900.0 120:191.0 121:127.0 123:145.0 124:606.0 125:212.0 126:2585.0 127:890.0 128:26290.0 129:4466.0 130:10847.0 131:6738.0 132:4508.0 133:6149.0 134:1147.0 135:446.0 136:164.0 137:87.0 138:490.0 139:364.0 140:4779.0 141:959.0 142:2987.0 143:733.0 144:945.0 145:366.0 146:4631.0 147:19359.0 148:3405.0 149:2181.0 150:370.0 151:803.0 152:303.0 153:342.0 154:12756.0 155:4130.0 156:76791.0 157:11196.0 158:4511.0 159:694.0 160:1657.0 161:389.0 162:279.0 163:194.0 164:207.0 165:79.0 166:971.0 167:543.0 168:665.0 169:235.0 170:669.0 171:213.0 172:2443.0 173:538.0 174:56553.0 175:9869.0 176:4416.0 177:481.0 178:80.0 179:20.0 180:41.0 181:86.0 182:316.0 183:184.0 184:486.0 185:201.0 186:1848.0 187:494.0 188:654.0 189:497.0 190:228.0 191:1071.0 192:171.0 193:95.0 196:57.0 198:177.0 199:144.0 200:4730.0 201:916.0 202:1665.0 203:494.0 204:290.0 205:118.0 206:87.0 207:45.0 212:365.0 213:404.0 214:1612.0 215:693.0 216:761.0 217:481.0 218:2436.0 219:842.0 220:589.0 221:357.0 222:91.0 223:85.0 224:57.0 225:87.0 226:147.0 227:253.0 228:3361.0 229:965.0 230:9677.0 231:2065.0 232:926.0 233:166.0 234:84.0 235:45.0 236:25.0 237:33.0 238:339.0 239:231.0 240:411.0 241:153.0 242:132.0 243:169.0 244:261.0 245:108.0 246:149.0 247:62.0 248:108.0 249:44.0 250:50.0 252:44.0 253:45.0 254:1013.0 255:485.0 256:307.0 257:183.0 258:311.0 259:140.0 260:184.0 261:68.0 262:81.0 266:91.0 267:49.0 269:68.0 271:69.0 272:363.0 273:584.0 274:308.0 275:95.0 276:49.0 285:15.0 286:23.0 288:52.0 289:58.0 291:32.0 292:18.0 295:17.0 299:46.0 300:27.0 301:76.0 302:142.0 303:70.0 304:99.0 305:35.0 314:22.0 315:52.0 316:163.0 317:9077.0 318:3043.0 319:1317.0 320:285.0 321:73.0 322:19.0 326:18.0 327:34.0 328:63.0 329:762.0 330:344.0 331:155.0 332:56.0 334:20.0 335:20.0 337:28.0 338:20.0 343:19.0 346:16.0 347:42.0 349:20.0 351:18.0 352:15.0 353:17.0 354:22.0 356:91.0 358:26.0 361:25.0 362:33.0 363:32.0 365:20.0 366:23.0 367:29.0 368:14.0 369:34.0 371:31.0 372:23.0 373:22.0 374:31.0 376:27.0 377:24.0 382:23.0 384:22.0 385:22.0 391:133.0 392:93.0 393:29.0 395:17.0 397:25.0 398:16.0 401:21.0 406:23.0 408:14.0 409:19.0 416:16.0 417:14.0 418:40.0 419:156.0 420:97.0 422:18.0 423:30.0 424:15.0 425:15.0 427:23.0 432:30.0 433:63.0 434:524.0 435:309.0 436:172.0 437:60.0 438:30.0 441:28.0 443:12.0 446:23.0 447:26.0 449:14.0 450:20.0 451:22.0 452:31.0 455:19.0 457:30.0 458:22.0 459:18.0 461:20.0 463:15.0 464:21.0 465:13.0 467:39.0 468:12.0 469:30.0 473:16.0 476:20.0 482:14.0 484:28.0 485:18.0 491:18.0 493:21.0 494:13.0 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N linolenic acid 780376 335 4704 85:8263.0 86:3076.0 87:2638.0 88:1997.0 89:7764.0 90:1581.0 91:88210.0 92:18165.0 93:106470.0 94:49681.0 95:90232.0 96:13310.0 97:12053.0 98:4717.0 99:6412.0 100:1262.0 101:3274.0 102:1160.0 103:5418.0 104:2581.0 105:34033.0 106:9798.0 107:47500.0 108:55116.0 109:22200.0 110:3750.0 111:4531.0 112:1209.0 113:1357.0 114:277.0 115:3868.0 116:10630.0 117:51242.0 118:6917.0 119:21073.0 120:8375.0 121:31307.0 122:19978.0 123:7843.0 124:1772.0 125:1926.0 126:296.0 127:1163.0 128:1880.0 129:68176.0 130:9951.0 131:31656.0 132:8470.0 133:15793.0 134:6165.0 135:23119.0 136:13484.0 137:3848.0 138:757.0 139:1054.0 140:358.0 141:1107.0 142:1294.0 143:7473.0 144:1560.0 145:24698.0 146:4094.0 147:11899.0 148:4131.0 149:18225.0 150:8709.0 151:2511.0 152:438.0 153:770.0 154:598.0 155:2182.0 156:773.0 157:5617.0 158:1371.0 159:6339.0 160:1479.0 161:5276.0 162:4166.0 163:8623.0 164:4161.0 165:1455.0 166:352.0 167:562.0 168:272.0 169:1712.0 170:690.0 171:5229.0 172:1348.0 173:9805.0 174:2568.0 175:3987.0 176:2518.0 177:3056.0 178:1949.0 179:641.0 180:240.0 181:769.0 182:412.0 183:1820.0 184:388.0 185:4180.0 186:871.0 187:3151.0 188:960.0 189:2315.0 190:1253.0 191:2984.0 192:2018.0 193:539.0 195:469.0 196:266.0 197:854.0 198:452.0 199:2435.0 200:658.0 201:2145.0 203:1406.0 204:2163.0 205:889.0 206:458.0 207:567.0 208:124.0 209:290.0 210:27.0 211:627.0 212:254.0 213:1413.0 214:532.0 215:765.0 216:480.0 217:1046.0 218:1538.0 219:468.0 220:85.0 223:394.0 224:208.0 225:467.0 226:220.0 227:1168.0 228:356.0 229:530.0 230:205.0 231:562.0 232:1027.0 233:339.0 234:72.0 235:278.0 236:101.0 237:463.0 238:135.0 239:552.0 240:97.0 241:991.0 242:399.0 243:839.0 244:321.0 245:148.0 246:94.0 247:190.0 248:46.0 249:813.0 250:115.0 251:363.0 252:217.0 253:452.0 254:162.0 255:1140.0 256:371.0 257:231.0 258:222.0 259:792.0 260:1325.0 261:348.0 262:154.0 263:863.0 264:297.0 265:597.0 266:339.0 267:179.0 268:183.0 269:233.0 270:134.0 271:128.0 273:66.0 274:15.0 275:60.0 277:792.0 278:290.0 279:1302.0 280:523.0 281:178.0 282:241.0 283:115.0 284:53.0 285:12.0 287:59.0 288:53.0 289:2.0 290:77.0 291:708.0 292:324.0 293:901.0 294:1360.0 295:559.0 296:198.0 298:119.0 300:23.0 302:55.0 304:49.0 305:848.0 306:426.0 307:1009.0 308:542.0 309:281.0 315:26.0 316:42.0 317:371.0 318:199.0 319:257.0 320:134.0 321:1145.0 322:515.0 323:222.0 324:54.0 325:77.0 326:39.0 327:81.0 328:48.0 329:67.0 331:11.0 333:967.0 334:487.0 335:7417.0 336:2728.0 337:1053.0 338:292.0 340:35.0 342:76.0 344:8.0 345:10.0 349:63.0 350:1385.0 351:529.0 352:101.0 357:5.0 369:58.0 370:42.0 373:38.0 378:28.0 379:5.0 386:17.0 388:12.0 389:25.0 391:43.0 392:17.0 393:38.0 406:43.0 415:31.0 419:1.0 420:4.0 421:2.0 439:10.0 453:4.0 454:226.0 455:41.0 456:16.0 457:2.0 460:29.0 461:1.0 462:22.0 476:53.0 5280934 C06427 DTOSIQBPPRVQHS-PDBXOOCHSA-N linoleic acid 777285 337 471765 85:9907.0 86:4010.0 88:3284.0 89:1900.0 91:57703.0 92:1038.0 93:31366.0 94:2465.0 95:55434.0 96:10639.0 97:7567.0 98:2988.0 101:3317.0 103:2157.0 105:10521.0 106:501.0 108:385.0 109:17279.0 110:5499.0 112:2654.0 113:2008.0 115:3545.0 117:26135.0 118:6780.0 119:7433.0 121:24880.0 122:7915.0 123:4005.0 124:14547.0 125:3348.0 129:52643.0 130:7998.0 131:2157.0 132:3314.0 133:7486.0 134:4288.0 135:21864.0 136:5237.0 137:10210.0 138:1469.0 139:1683.0 142:1212.0 143:10314.0 144:1482.0 145:3846.0 146:3122.0 149:2723.0 151:8911.0 152:1843.0 153:1982.0 157:7320.0 158:1891.0 159:1682.0 161:3192.0 163:2928.0 164:3815.0 166:2472.0 169:2767.0 170:1477.0 171:2356.0 172:2330.0 174:1415.0 177:4994.0 178:4540.0 179:1176.0 180:1241.0 183:1630.0 185:1047.0 187:5316.0 188:1255.0 191:2808.0 198:622.0 200:1164.0 201:3720.0 203:750.0 204:403.0 206:2449.0 212:209.0 213:1605.0 215:683.0 218:882.0 220:1340.0 221:1705.0 223:620.0 225:616.0 230:401.0 233:335.0 234:416.0 235:615.0 240:642.0 241:1219.0 255:430.0 256:115.0 257:516.0 258:71.0 262:5463.0 263:1725.0 267:541.0 271:463.0 272:50.0 275:189.0 279:118.0 280:126.0 285:491.0 289:55.0 295:101.0 297:94.0 306:122.0 307:226.0 309:410.0 310:214.0 324:94.0 327:235.0 331:161.0 333:118.0 335:155.0 337:20560.0 338:1174.0 339:2234.0 344:113.0 347:41.0 349:123.0 350:92.0 353:300.0 365:102.0 366:46.0 369:104.0 370:69.0 376:191.0 381:140.0 384:44.0 390:69.0 395:37.0 396:72.0 410:68.0 415:92.0 421:65.0 425:23.0 426:53.0 427:62.0 428:76.0 430:157.0 433:80.0 435:94.0 439:63.0 447:88.0 452:53.0 453:76.0 455:72.0 456:30.0 463:113.0 465:120.0 471:68.0 478:112.0 480:76.0 481:101.0 483:77.0 484:67.0 491:66.0 494:62.0 495:39.0 496:48.0 499:76.0 500:71.0 5280450 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N lignoceric acid 976497 132 382090 85:3890.0 86:539.0 87:701.0 88:224.0 89:1379.0 93:3297.0 95:2757.0 96:730.0 97:3072.0 98:2517.0 99:1373.0 101:552.0 103:1004.0 104:390.0 105:528.0 108:116.0 109:813.0 110:379.0 111:1979.0 113:193.0 114:119.0 117:41496.0 118:3626.0 119:2647.0 120:407.0 121:1068.0 123:491.0 127:363.0 129:20934.0 130:2876.0 131:5016.0 132:16769.0 133:4095.0 135:925.0 140:107.0 143:2123.0 145:11048.0 146:2259.0 147:4651.0 149:203.0 153:131.0 155:335.0 156:52.0 157:589.0 159:1324.0 162:197.0 164:194.0 165:113.0 171:945.0 172:83.0 173:360.0 174:269.0 177:162.0 185:1362.0 187:488.0 188:350.0 193:148.0 196:23.0 199:319.0 201:2449.0 202:441.0 203:385.0 205:226.0 207:199.0 213:437.0 221:521.0 227:280.0 229:79.0 235:72.0 237:36.0 244:78.0 247:436.0 250:45.0 257:189.0 258:16.0 259:42.0 260:79.0 261:49.0 263:99.0 271:47.0 272:43.0 286:76.0 289:30.0 295:105.0 296:69.0 303:16.0 304:24.0 314:64.0 327:34.0 328:29.0 329:25.0 335:9.0 341:49.0 346:26.0 351:33.0 353:55.0 354:81.0 355:160.0 361:22.0 368:133.0 370:22.0 381:176.0 382:161.0 383:86.0 388:18.0 389:18.0 414:18.0 415:62.0 419:13.0 423:49.0 424:281.0 425:2255.0 426:1592.0 427:461.0 428:165.0 429:104.0 430:50.0 431:49.0 439:52.0 440:515.0 441:281.0 442:199.0 443:65.0 450:12.0 451:15.0 457:14.0 476:26.0 498:9.0 499:11.0 11197 C08320 QZZGJDVWLFXDLK-UHFFFAOYSA-N levoglucosan 569637 204 3169 85:775.0 87:165.0 88:163.0 89:177.0 90:42.0 91:21.0 92:2.0 95:13.0 97:132.0 98:53.0 99:731.0 100:180.0 101:2830.0 102:212.0 103:5456.0 104:270.0 105:366.0 109:317.0 111:424.0 112:33.0 113:818.0 114:131.0 115:724.0 116:1575.0 117:3643.0 118:337.0 119:568.0 120:38.0 125:69.0 126:44.0 127:263.0 129:5991.0 130:703.0 131:1830.0 132:221.0 133:3867.0 134:297.0 135:293.0 136:48.0 139:2.0 140:20.0 141:67.0 142:707.0 143:2053.0 144:218.0 145:219.0 147:6558.0 148:1314.0 149:885.0 150:45.0 151:30.0 152:134.0 153:72.0 155:1046.0 156:182.0 157:445.0 158:17.0 159:278.0 160:29.0 161:875.0 162:43.0 163:220.0 167:4.0 169:385.0 170:170.0 171:723.0 172:115.0 173:207.0 174:103.0 175:87.0 177:350.0 178:62.0 179:1.0 183:160.0 184:145.0 185:57.0 187:32.0 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311:20.0 312:25.0 313:38.0 315:32.0 316:18.0 317:38.0 318:29.0 320:16.0 321:25.0 324:16.0 326:31.0 330:19.0 331:30.0 334:30.0 336:15.0 340:27.0 341:25.0 344:32.0 347:34.0 348:34.0 349:22.0 350:31.0 353:30.0 354:9.0 358:27.0 360:35.0 361:22.0 362:31.0 363:28.0 364:34.0 366:29.0 368:26.0 369:16.0 370:46.0 375:44.0 376:25.0 377:29.0 378:42.0 379:27.0 380:38.0 381:39.0 382:19.0 383:27.0 386:40.0 387:26.0 389:29.0 390:31.0 393:18.0 394:35.0 396:37.0 397:24.0 399:26.0 404:30.0 408:27.0 409:28.0 410:18.0 411:22.0 412:12.0 416:17.0 417:24.0 419:13.0 422:38.0 423:27.0 426:22.0 427:34.0 429:26.0 430:38.0 433:26.0 434:18.0 435:25.0 438:24.0 439:19.0 440:18.0 441:32.0 443:22.0 446:36.0 449:18.0 451:17.0 452:12.0 453:19.0 454:24.0 455:25.0 456:33.0 457:30.0 458:34.0 459:23.0 460:30.0 462:28.0 464:41.0 466:27.0 467:33.0 468:21.0 469:36.0 470:17.0 471:38.0 473:16.0 477:23.0 479:22.0 481:23.0 482:26.0 484:23.0 486:22.0 487:26.0 489:37.0 491:46.0 492:23.0 493:24.0 494:26.0 495:27.0 497:23.0 498:27.0 499:23.0 500:21.0 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N isothreonic acid 489385 292 1679 85:304.0 86:391.0 88:631.0 89:4158.0 90:414.0 91:179.0 92:233.0 93:215.0 94:45.0 96:145.0 97:116.0 98:15.0 99:816.0 100:110.0 101:2762.0 102:21122.0 103:20966.0 104:2634.0 105:1408.0 106:64.0 107:560.0 108:290.0 109:71.0 110:395.0 111:105.0 113:1032.0 114:253.0 115:1508.0 116:877.0 117:33848.0 118:3267.0 119:2907.0 120:140.0 121:96.0 122:8.0 124:18.0 125:13.0 127:531.0 128:50.0 129:6995.0 130:17816.0 131:9728.0 132:2127.0 133:13693.0 134:2261.0 135:1252.0 136:37.0 137:70.0 141:279.0 143:5323.0 144:512.0 145:511.0 146:508.0 147:89541.0 148:14484.0 149:8621.0 150:1069.0 151:554.0 152:43.0 153:93.0 154:4.0 155:7.0 157:903.0 159:246.0 161:501.0 162:71.0 163:1006.0 164:236.0 165:241.0 166:13.0 167:3.0 168:40.0 169:26.0 170:89.0 172:176.0 173:230.0 175:799.0 176:118.0 177:3522.0 178:628.0 179:286.0 180:26.0 181:74.0 185:128.0 186:51.0 187:91.0 188:52.0 189:4147.0 190:923.0 191:1643.0 192:325.0 193:329.0 194:77.0 195:56.0 199:88.0 200:80.0 201:125.0 202:1.0 203:1318.0 204:2518.0 205:17229.0 206:3365.0 207:2844.0 208:477.0 209:217.0 210:57.0 211:49.0 212:26.0 213:1.0 215:166.0 216:68.0 217:14540.0 218:2990.0 219:1780.0 220:18784.0 221:7856.0 222:2654.0 223:859.0 224:149.0 225:56.0 226:73.0 229:1.0 230:18.0 231:282.0 232:47.0 233:93.0 234:31.0 235:42.0 237:190.0 238:29.0 239:10.0 243:2.0 244:29.0 245:1906.0 246:476.0 247:394.0 248:48.0 249:40.0 251:6.0 252:11.0 253:11.0 255:6.0 257:1.0 262:17.0 263:57.0 265:42.0 267:123.0 268:27.0 270:12.0 276:37.0 277:610.0 278:168.0 279:84.0 281:28.0 283:114.0 290:42.0 291:2248.0 292:22023.0 293:6532.0 294:3129.0 295:766.0 296:201.0 297:48.0 300:12.0 305:306.0 306:53.0 307:114.0 309:3.0 312:27.0 313:2.0 319:1701.0 320:478.0 321:327.0 322:69.0 323:68.0 325:132.0 328:1.0 334:26.0 339:20.0 341:97.0 342:22.0 343:12.0 347:2.0 349:1.0 351:1.0 354:22.0 355:72.0 356:1.0 361:7.0 364:30.0 370:1.0 371:73.0 372:66.0 373:46.0 379:358.0 380:187.0 381:71.0 382:9.0 390:2.0 400:4.0 408:17.0 409:469.0 410:241.0 411:68.0 412:15.0 418:19.0 419:1.0 427:17.0 431:24.0 448:47.0 450:22.0 467:17.0 468:1.0 472:23.0 475:13.0 480:2.0 492:6.0 151152 C00639 JPIJQSOTBSSVTP-GBXIJSLDSA-N isopalmitic acid 699862 117 46346 100:48.0 117:1705.0 118:76.0 122:5.0 129:768.0 131:247.0 132:629.0 137:5.0 145:245.0 159:15.0 166:5.0 183:9.0 201:27.0 203:12.0 243:21.0 269:13.0 305:120.0 306:22.0 313:237.0 314:81.0 320:8.0 330:4.0 388:1.0 36247 ZONJATNKKGGVSU-UHFFFAOYSA-N isomaltose 983199 361 127715 87:1211.0 88:604.0 89:4249.0 90:267.0 91:161.0 92:118.0 93:181.0 94:152.0 95:320.0 96:360.0 97:526.0 98:240.0 100:1628.0 101:6670.0 102:1545.0 103:10592.0 104:885.0 105:2387.0 107:114.0 108:114.0 109:551.0 110:107.0 111:1453.0 112:323.0 113:908.0 115:449.0 116:1006.0 117:8267.0 118:577.0 119:1599.0 124:48.0 125:234.0 126:350.0 127:713.0 128:652.0 129:7394.0 130:2008.0 131:1916.0 132:620.0 133:6092.0 135:493.0 136:199.0 137:107.0 139:223.0 141:487.0 142:1161.0 143:2502.0 144:464.0 145:1433.0 146:447.0 147:28088.0 148:932.0 149:2751.0 150:302.0 152:84.0 153:312.0 154:174.0 155:1439.0 156:1653.0 157:582.0 158:235.0 160:7024.0 161:3299.0 162:581.0 163:1226.0 166:98.0 169:5473.0 170:852.0 172:272.0 173:483.0 174:1412.0 178:183.0 180:181.0 181:196.0 182:146.0 183:317.0 185:207.0 186:330.0 187:35.0 188:51.0 189:3466.0 190:769.0 191:2297.0 192:988.0 193:1287.0 198:179.0 201:438.0 202:197.0 203:1430.0 204:16821.0 205:4017.0 206:1956.0 207:3143.0 208:603.0 210:168.0 211:79.0 212:164.0 214:292.0 215:409.0 216:148.0 217:12202.0 218:718.0 219:1108.0 220:139.0 221:710.0 222:356.0 223:167.0 225:121.0 226:73.0 227:217.0 229:697.0 230:452.0 231:826.0 232:405.0 233:403.0 234:41.0 240:207.0 241:247.0 243:2022.0 244:682.0 245:474.0 246:232.0 249:227.0 250:118.0 252:68.0 259:338.0 260:88.0 262:138.0 263:54.0 264:59.0 265:224.0 266:33.0 268:143.0 270:69.0 271:2319.0 273:410.0 274:307.0 276:185.0 277:160.0 278:58.0 279:43.0 281:384.0 282:213.0 283:153.0 292:178.0 296:70.0 298:36.0 299:25.0 300:244.0 301:100.0 302:43.0 305:508.0 307:436.0 308:122.0 309:79.0 313:64.0 318:119.0 319:802.0 321:10.0 327:200.0 332:232.0 337:53.0 342:169.0 344:62.0 345:113.0 349:22.0 351:46.0 355:271.0 357:28.0 359:114.0 361:7286.0 362:862.0 363:1204.0 364:530.0 365:167.0 372:109.0 373:297.0 375:37.0 376:71.0 377:21.0 378:14.0 379:52.0 380:19.0 381:31.0 382:36.0 389:106.0 392:50.0 395:29.0 400:69.0 414:57.0 420:48.0 432:41.0 435:38.0 436:39.0 437:84.0 440:24.0 443:37.0 447:40.0 448:69.0 453:53.0 456:29.0 457:20.0 466:23.0 469:42.0 470:26.0 482:80.0 497:31.0 439193 C00252 DLRVVLDZNNYCBX-RTPHMHGBSA-N isoleucine 295269 86 66254 85:29700.0 86:1679594.0 87:1033918.0 88:242006.0 89:32530.0 90:4609.0 91:25638.0 92:13288.0 93:1456.0 94:2719.0 95:2541.0 96:35629.0 97:10944.0 99:18277.0 100:18364.0 101:10494.0 102:46817.0 103:665017.0 104:227754.0 105:52459.0 106:10467.0 110:6937.0 111:2076.0 112:2915.0 113:6827.0 114:8081.0 115:7642.0 116:5697.0 117:20375.0 118:14990.0 119:10663.0 120:5135.0 121:1306.0 122:469.0 124:3636.0 127:24702.0 128:11190.0 129:17274.0 130:155014.0 131:93441.0 132:32066.0 133:5131.0 134:732.0 137:457.0 138:822.0 142:85228.0 143:35309.0 144:64617.0 145:23641.0 146:173449.0 147:88998.0 148:28869.0 149:2900.0 150:861.0 152:1355.0 153:1047.0 154:14162.0 155:2130.0 156:4169.0 157:6395.0 158:11753.0 159:8582.0 160:6873.0 161:6027.0 162:2360.0 168:150.0 169:61.0 170:126648.0 171:47913.0 172:202873.0 173:77178.0 174:20719.0 175:5748.0 176:1051.0 177:511.0 178:140.0 180:161.0 182:573.0 184:419.0 186:2344.0 187:17025.0 188:74406.0 189:51476.0 190:16081.0 191:3195.0 192:1090.0 202:283.0 203:782.0 204:662.0 205:228.0 206:101.0 216:788.0 217:31.0 232:228.0 233:164.0 234:101.0 241:160.0 242:97.0 243:129.0 244:167.0 245:108.0 246:120.0 247:35.0 248:90.0 250:24.0 258:114.0 259:77.0 260:126.0 261:27.0 262:83.0 263:100.0 264:38.0 265:92.0 266:69.0 271:102.0 272:103.0 273:108.0 274:91.0 275:85.0 276:110.0 277:99.0 278:109.0 279:109.0 280:107.0 284:63.0 285:81.0 286:114.0 287:104.0 288:106.0 289:64.0 290:111.0 291:77.0 292:107.0 293:71.0 294:50.0 295:77.0 296:91.0 297:84.0 298:67.0 302:86.0 303:90.0 304:84.0 305:32.0 306:96.0 307:100.0 308:74.0 309:103.0 310:100.0 311:98.0 312:115.0 313:17.0 315:106.0 316:94.0 317:96.0 318:102.0 319:78.0 320:103.0 321:106.0 322:79.0 323:61.0 324:101.0 325:98.0 326:103.0 327:66.0 328:85.0 329:86.0 330:103.0 331:108.0 332:57.0 333:74.0 334:86.0 335:77.0 336:51.0 337:100.0 338:95.0 339:101.0 340:97.0 341:105.0 342:28.0 343:99.0 344:98.0 345:90.0 346:92.0 347:99.0 348:103.0 349:86.0 350:97.0 351:74.0 352:109.0 353:101.0 354:69.0 355:47.0 356:58.0 357:95.0 358:74.0 359:29.0 360:86.0 361:63.0 362:75.0 363:103.0 364:94.0 365:93.0 366:84.0 367:73.0 368:86.0 369:65.0 370:103.0 371:98.0 372:94.0 373:92.0 374:56.0 375:12.0 376:82.0 377:96.0 378:73.0 379:84.0 380:93.0 381:83.0 382:105.0 383:97.0 384:91.0 385:73.0 386:85.0 387:91.0 388:61.0 389:86.0 390:101.0 391:82.0 392:59.0 393:97.0 394:84.0 395:107.0 396:73.0 397:96.0 398:83.0 399:92.0 400:53.0 401:94.0 402:89.0 403:70.0 404:97.0 405:65.0 406:92.0 407:66.0 408:92.0 409:78.0 410:68.0 411:75.0 412:87.0 413:55.0 414:95.0 415:91.0 416:82.0 417:77.0 418:87.0 419:85.0 420:95.0 421:69.0 422:91.0 423:88.0 424:89.0 425:51.0 426:93.0 427:79.0 428:90.0 429:91.0 430:82.0 431:94.0 432:82.0 433:84.0 434:31.0 435:17.0 436:45.0 437:92.0 438:85.0 439:82.0 440:92.0 441:72.0 442:84.0 443:85.0 444:86.0 445:67.0 446:86.0 447:67.0 448:94.0 449:100.0 450:68.0 451:63.0 452:89.0 453:61.0 454:98.0 455:89.0 456:87.0 457:84.0 458:92.0 459:90.0 460:66.0 461:61.0 462:76.0 463:98.0 464:76.0 465:76.0 466:81.0 467:83.0 468:80.0 469:87.0 470:88.0 471:64.0 472:93.0 473:89.0 474:71.0 475:75.0 476:86.0 477:98.0 478:92.0 479:71.0 480:76.0 481:57.0 482:77.0 483:96.0 484:96.0 485:74.0 486:92.0 487:73.0 488:82.0 489:20.0 490:75.0 491:69.0 492:88.0 493:104.0 494:93.0 495:89.0 496:90.0 497:86.0 498:74.0 499:50.0 500:84.0 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N inositol-4-monophosphate 846510 315 45351 85:1.0 86:238.0 87:154.0 88:1.0 99:434.0 101:763.0 103:1909.0 104:364.0 107:288.0 109:401.0 111:550.0 113:450.0 119:195.0 125:220.0 127:391.0 129:3705.0 130:1560.0 131:1864.0 132:3.0 133:4462.0 134:304.0 135:447.0 137:223.0 138:1.0 139:209.0 141:161.0 142:575.0 143:2116.0 144:28.0 147:20267.0 148:1900.0 149:2880.0 150:263.0 151:313.0 152:31.0 153:199.0 154:147.0 155:384.0 156:200.0 157:357.0 158:89.0 161:144.0 163:140.0 164:44.0 165:73.0 167:43.0 169:372.0 170:143.0 171:198.0 175:176.0 177:25.0 181:339.0 183:429.0 184:164.0 185:119.0 189:563.0 190:547.0 191:4872.0 192:884.0 193:1272.0 194:93.0 195:313.0 196:18.0 197:207.0 199:17.0 201:120.0 203:257.0 204:1495.0 205:464.0 206:277.0 208:444.0 209:306.0 210:2.0 211:1641.0 212:125.0 213:86.0 214:14.0 215:266.0 216:86.0 217:4387.0 218:1088.0 219:90.0 220:189.0 221:1149.0 222:219.0 223:155.0 224:10.0 225:924.0 226:106.0 227:363.0 228:208.0 229:104.0 230:634.0 231:279.0 232:74.0 239:59.0 241:96.0 242:62.0 243:274.0 244:228.0 245:399.0 246:1178.0 247:234.0 248:181.0 251:82.0 252:4.0 253:82.0 254:31.0 255:1018.0 256:210.0 257:267.0 261:31.0 265:474.0 267:57.0 269:333.0 270:268.0 271:99.0 272:15.0 278:33.0 283:179.0 284:97.0 285:523.0 286:41.0 287:15.0 291:337.0 292:89.0 293:123.0 294:15.0 297:87.0 298:317.0 299:8172.0 300:2192.0 301:1314.0 302:306.0 303:131.0 304:215.0 305:992.0 306:300.0 307:75.0 308:118.0 309:86.0 313:129.0 314:265.0 315:8207.0 316:2311.0 317:1264.0 318:10198.0 319:3597.0 320:1289.0 321:405.0 322:26.0 323:29.0 324:29.0 328:148.0 331:104.0 332:316.0 333:57.0 334:17.0 341:162.0 342:187.0 343:856.0 344:89.0 345:267.0 346:89.0 347:85.0 353:6.0 357:36.0 360:81.0 367:44.0 369:141.0 370:23.0 371:55.0 372:54.0 373:264.0 374:197.0 375:178.0 385:40.0 386:284.0 387:2990.0 388:1108.0 389:1582.0 390:581.0 391:162.0 393:11.0 417:6.0 418:130.0 419:244.0 420:76.0 429:163.0 430:15.0 431:51.0 432:250.0 433:323.0 434:122.0 435:99.0 442:53.0 443:43.0 447:4.0 455:73.0 457:210.0 458:47.0 461:113.0 469:4.0 470:258.0 471:61.0 472:81.0 476:62.0 489:21.0 494:45.0 495:2.0 440043 C03546 INAPMGSXUVUWAF-GFWFORPUSA-N inosine 5-monophosphate 1017548 169 377446 85:1223.0 86:763.0 87:856.0 92:292.0 93:839.0 94:356.0 98:478.0 99:1155.0 100:893.0 101:1046.0 103:1223.0 104:397.0 107:485.0 109:455.0 112:415.0 113:1536.0 115:1844.0 116:806.0 119:523.0 120:277.0 121:526.0 123:477.0 124:166.0 125:816.0 126:327.0 127:1125.0 129:3455.0 131:644.0 133:6173.0 134:1236.0 135:1619.0 136:378.0 137:1026.0 138:868.0 139:540.0 140:1833.0 141:1456.0 142:1332.0 143:1335.0 144:453.0 145:549.0 146:259.0 147:3886.0 148:1104.0 149:1838.0 150:472.0 151:876.0 152:297.0 153:944.0 154:240.0 156:292.0 157:623.0 163:481.0 164:236.0 165:553.0 166:626.0 167:686.0 168:474.0 169:24995.0 170:3538.0 171:1418.0 172:423.0 173:293.0 176:123.0 177:196.0 180:342.0 181:318.0 183:436.0 184:257.0 185:275.0 186:180.0 189:174.0 190:161.0 191:445.0 192:569.0 193:6030.0 194:1070.0 195:1332.0 198:119.0 199:159.0 207:793.0 208:979.0 209:3940.0 211:7070.0 212:71.0 213:696.0 214:133.0 215:147.0 216:368.0 217:539.0 219:232.0 221:278.0 222:289.0 225:1594.0 226:247.0 227:1293.0 228:382.0 229:230.0 230:4620.0 231:1809.0 232:554.0 235:279.0 236:74.0 237:993.0 240:188.0 241:264.0 242:64.0 243:4618.0 244:216.0 245:671.0 246:140.0 247:277.0 249:285.0 250:147.0 251:267.0 254:131.0 257:415.0 258:4466.0 259:1532.0 260:679.0 261:177.0 262:140.0 264:108.0 265:1047.0 268:97.0 271:155.0 278:98.0 279:623.0 280:411.0 281:2693.0 282:753.0 283:719.0 284:171.0 285:360.0 288:114.0 292:63.0 294:101.0 297:209.0 299:5481.0 300:2496.0 301:722.0 302:171.0 303:232.0 307:1220.0 308:447.0 309:124.0 310:219.0 312:63.0 314:562.0 315:12637.0 316:3536.0 317:746.0 318:53.0 320:62.0 322:299.0 323:509.0 324:224.0 325:145.0 329:67.0 332:56.0 338:346.0 339:348.0 340:136.0 341:80.0 343:65.0 346:38.0 347:65.0 349:91.0 350:59.0 353:53.0 363:131.0 373:168.0 375:35.0 376:283.0 377:921.0 378:400.0 379:157.0 380:138.0 381:111.0 382:201.0 383:36.0 384:215.0 385:70.0 387:475.0 389:167.0 393:80.0 394:51.0 397:41.0 399:60.0 411:217.0 423:86.0 427:31.0 438:40.0 441:29.0 445:34.0 446:18.0 450:34.0 454:123.0 456:34.0 457:39.0 458:38.0 465:61.0 467:128.0 478:27.0 481:28.0 486:25.0 494:43.0 8582 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N inosine 897434 230 84524 85:1568.0 86:780.0 87:1166.0 88:560.0 89:1904.0 91:15501.0 92:2918.0 93:6326.0 94:1647.0 95:2401.0 97:1081.0 98:220.0 99:1165.0 100:804.0 101:3341.0 102:808.0 103:15276.0 104:2320.0 105:6001.0 106:3197.0 107:1491.0 108:2478.0 109:746.0 110:1136.0 111:1921.0 112:413.0 113:1448.0 114:353.0 115:3043.0 116:2998.0 117:9407.0 118:1635.0 119:4572.0 120:1119.0 121:826.0 122:365.0 123:390.0 124:342.0 125:560.0 126:410.0 127:944.0 128:745.0 129:6916.0 130:1540.0 131:5401.0 132:1978.0 133:6175.0 134:1052.0 135:1120.0 136:222.0 137:272.0 138:1040.0 139:344.0 140:191.0 141:849.0 142:811.0 143:2861.0 144:777.0 145:2410.0 146:921.0 147:12798.0 148:2083.0 149:1405.0 150:419.0 151:246.0 152:120.0 153:663.0 154:185.0 155:440.0 156:241.0 157:1526.0 158:407.0 159:1184.0 160:321.0 161:428.0 162:405.0 163:457.0 164:145.0 165:346.0 166:1117.0 167:411.0 168:208.0 169:2730.0 170:519.0 171:882.0 173:691.0 174:54.0 175:375.0 176:164.0 177:435.0 178:113.0 179:219.0 180:252.0 181:424.0 182:97.0 183:269.0 185:224.0 187:237.0 189:984.0 190:216.0 191:464.0 192:533.0 193:8163.0 194:1429.0 195:390.0 196:128.0 197:189.0 198:108.0 199:326.0 200:119.0 201:222.0 202:120.0 203:192.0 204:365.0 205:434.0 206:405.0 207:1541.0 208:616.0 209:2943.0 210:178.0 211:105.0 212:99.0 213:151.0 215:648.0 216:149.0 217:14712.0 218:2569.0 219:1558.0 220:193.0 221:491.0 222:49.0 223:102.0 224:30.0 225:64.0 226:46.0 227:82.0 229:294.0 230:10605.0 231:2623.0 232:1108.0 233:219.0 234:54.0 235:174.0 236:65.0 237:4677.0 238:892.0 239:211.0 241:29.0 242:28.0 243:3063.0 244:783.0 245:7719.0 246:1654.0 247:734.0 248:192.0 249:188.0 250:21.0 251:82.0 252:42.0 254:26.0 257:230.0 258:750.0 259:3915.0 260:723.0 261:413.0 262:30.0 263:135.0 265:906.0 266:226.0 267:276.0 268:37.0 276:34.0 278:44.0 279:101.0 280:1223.0 281:4422.0 282:1184.0 283:433.0 284:94.0 291:143.0 292:91.0 293:26.0 294:88.0 295:35.0 296:32.0 299:31.0 305:29.0 306:92.0 307:1260.0 308:271.0 309:291.0 310:14.0 311:66.0 312:10.0 317:31.0 318:22.0 319:64.0 320:133.0 321:116.0 322:119.0 323:779.0 324:199.0 326:11.0 327:15.0 331:13.0 333:103.0 335:325.0 336:60.0 337:52.0 338:133.0 339:61.0 347:48.0 348:564.0 349:219.0 350:68.0 351:53.0 361:52.0 362:25.0 363:184.0 364:62.0 366:9.0 377:55.0 379:48.0 394:15.0 395:329.0 396:139.0 397:11.0 424:12.0 437:5.0 452:49.0 453:187.0 454:90.0 465:36.0 466:74.0 467:21.0 468:21.0 469:23.0 6021 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N indole-3-propionic acid 779808 202 84924 85:131.0 86:195.0 87:383.0 88:87.0 89:399.0 90:136.0 91:4648.0 92:741.0 93:5094.0 94:2170.0 95:3727.0 100:267.0 101:163.0 102:233.0 104:88.0 105:1610.0 106:415.0 107:2058.0 108:2307.0 109:816.0 113:67.0 115:298.0 116:334.0 119:835.0 120:333.0 121:1207.0 122:635.0 123:131.0 126:128.0 128:139.0 129:1859.0 130:752.0 131:1092.0 133:989.0 134:277.0 135:821.0 136:465.0 139:35.0 141:53.0 142:82.0 144:136.0 145:358.0 146:90.0 147:939.0 149:534.0 150:291.0 151:46.0 154:41.0 156:146.0 157:244.0 158:161.0 159:196.0 160:117.0 161:194.0 162:112.0 163:275.0 164:109.0 165:55.0 170:158.0 171:168.0 172:36.0 173:338.0 174:345.0 175:198.0 176:132.0 177:131.0 189:120.0 191:165.0 192:88.0 194:45.0 196:30.0 198:35.0 200:182.0 201:85.0 202:4505.0 203:963.0 204:287.0 205:43.0 209:41.0 211:72.0 212:17.0 214:59.0 215:103.0 216:53.0 218:72.0 219:127.0 220:33.0 224:43.0 226:15.0 229:66.0 231:87.0 232:59.0 237:23.0 241:35.0 245:28.0 249:45.0 252:16.0 254:25.0 255:33.0 260:36.0 263:33.0 265:31.0 279:20.0 294:55.0 301:14.0 310:17.0 312:24.0 326:28.0 333:56.0 335:228.0 336:66.0 337:41.0 348:25.0 349:13.0 350:27.0 371:19.0 375:17.0 388:16.0 408:26.0 420:12.0 444:21.0 500:18.0 3744 GOLXRNDWAUTYKT-UHFFFAOYSA-N indole-3-lactate 764079 202 390397 85:444.0 88:82.0 93:562.0 98:2672.0 99:397.0 100:151.0 102:683.0 103:415.0 105:150.0 106:86.0 115:522.0 117:416.0 120:61.0 125:33.0 127:108.0 128:271.0 129:831.0 130:1029.0 131:634.0 132:302.0 133:615.0 134:42.0 140:85.0 142:388.0 143:138.0 144:158.0 145:353.0 146:127.0 147:2739.0 148:571.0 149:215.0 153:26.0 154:62.0 156:176.0 158:86.0 160:83.0 162:56.0 164:36.0 168:77.0 170:236.0 171:61.0 172:152.0 173:73.0 182:75.0 183:93.0 184:112.0 185:91.0 186:365.0 187:115.0 188:59.0 190:96.0 194:52.0 195:74.0 196:133.0 197:300.0 198:191.0 199:76.0 200:929.0 201:311.0 202:25700.0 203:4760.0 204:898.0 213:66.0 214:108.0 215:183.0 216:245.0 218:24.0 219:30.0 222:44.0 230:28.0 231:22.0 232:70.0 240:30.0 242:104.0 256:41.0 257:27.0 260:54.0 274:75.0 278:34.0 287:24.0 292:237.0 293:106.0 300:54.0 301:49.0 302:36.0 303:77.0 304:169.0 305:95.0 307:40.0 308:23.0 309:13.0 310:43.0 315:47.0 316:65.0 317:53.0 318:56.0 319:59.0 326:38.0 329:15.0 330:60.0 331:114.0 333:57.0 334:10.0 335:12.0 338:14.0 340:26.0 343:35.0 345:21.0 346:28.0 349:15.0 350:13.0 351:38.0 352:31.0 354:23.0 355:57.0 356:34.0 360:25.0 366:31.0 370:24.0 376:33.0 378:117.0 379:68.0 380:61.0 383:9.0 384:38.0 388:13.0 392:38.0 396:46.0 403:45.0 406:129.0 408:40.0 411:31.0 412:48.0 420:72.0 421:323.0 422:182.0 423:81.0 424:36.0 425:19.0 435:20.0 439:11.0 440:26.0 444:49.0 448:41.0 451:20.0 464:39.0 466:35.0 468:20.0 471:32.0 479:25.0 481:21.0 484:36.0 485:16.0 486:16.0 489:38.0 490:22.0 492:31.0 494:42.0 495:69.0 497:22.0 92904 XGILAAMKEQUXLS-UHFFFAOYSA-N icosenoic acid -to check 847493 95 121402 85:571.0 86:163.0 87:208.0 88:113.0 89:242.0 91:2137.0 92:447.0 93:2742.0 94:1919.0 95:5755.0 96:2863.0 97:1178.0 99:273.0 100:64.0 101:190.0 103:474.0 104:135.0 105:694.0 107:1162.0 108:958.0 109:1950.0 110:1165.0 111:355.0 113:77.0 115:148.0 116:815.0 117:1858.0 118:189.0 119:336.0 120:188.0 121:1163.0 122:434.0 123:665.0 124:445.0 125:254.0 129:2691.0 130:314.0 131:962.0 133:338.0 134:33.0 135:955.0 136:523.0 137:362.0 138:209.0 139:59.0 143:160.0 146:24.0 147:1198.0 149:609.0 150:865.0 151:230.0 157:146.0 159:140.0 161:46.0 163:271.0 164:273.0 165:64.0 166:22.0 167:18.0 171:119.0 172:55.0 173:209.0 175:35.0 177:100.0 178:196.0 181:48.0 183:80.0 187:199.0 189:52.0 191:72.0 192:208.0 195:11.0 196:27.0 197:100.0 201:124.0 202:34.0 203:17.0 204:96.0 205:84.0 206:269.0 207:90.0 211:23.0 215:400.0 216:52.0 217:96.0 219:67.0 220:45.0 224:21.0 226:20.0 227:64.0 229:42.0 233:43.0 234:53.0 238:15.0 240:36.0 241:68.0 243:93.0 244:40.0 245:12.0 246:19.0 248:152.0 253:36.0 254:13.0 258:25.0 259:13.0 260:15.0 262:47.0 265:18.0 268:34.0 269:24.0 272:20.0 279:14.0 283:20.0 290:374.0 291:98.0 318:20.0 330:14.0 331:248.0 332:66.0 333:33.0 334:12.0 336:23.0 337:27.0 339:35.0 340:37.0 343:15.0 347:25.0 348:15.0 349:20.0 350:14.0 355:20.0 361:16.0 364:54.0 365:552.0 366:204.0 380:50.0 381:25.0 385:14.0 386:16.0 399:19.0 403:17.0 418:17.0 422:15.0 430:26.0 446:19.0 451:12.0 462:17.0 476:18.0 479:15.0 482:19.0 5282768 C16526 BITHHVVYSMSWAG-KTKRTIGZSA-N hypoxanthine 619128 265 1663 85:17650.0 86:12163.0 87:3151.0 88:967.0 89:1497.0 90:1362.0 91:1011.0 92:2327.0 93:2705.0 94:2109.0 95:8249.0 96:4731.0 97:4274.0 98:10523.0 99:10631.0 100:18705.0 101:4328.0 102:2856.0 103:1825.0 104:825.0 105:732.0 106:877.0 107:1246.0 108:1010.0 109:1929.0 110:7804.0 111:16720.0 112:8157.0 113:3184.0 114:2386.0 115:2768.0 116:1782.0 117:3672.0 118:1096.0 119:3047.0 120:887.0 121:1152.0 122:1601.0 123:7675.0 124:5924.0 125:27347.0 126:4669.0 127:1631.0 128:4687.0 129:757.0 130:3064.0 131:18005.0 132:5577.0 133:6437.0 134:1529.0 135:1034.0 136:2233.0 137:1880.0 138:8120.0 139:6776.0 140:1825.0 141:1929.0 142:12534.0 143:3438.0 144:1712.0 145:493.0 146:711.0 147:19727.0 148:4999.0 149:2359.0 150:4433.0 151:2592.0 152:7155.0 153:4871.0 154:2331.0 155:1643.0 156:2287.0 157:2149.0 158:22398.0 159:5210.0 160:2267.0 161:502.0 162:394.0 163:1842.0 164:1604.0 165:5114.0 166:21893.0 167:4343.0 168:2152.0 169:1875.0 170:2814.0 171:2433.0 172:25772.0 173:12314.0 174:8155.0 175:2628.0 176:1019.0 177:4304.0 178:1275.0 179:2286.0 180:8006.0 181:23910.0 182:4922.0 183:2543.0 184:916.0 185:769.0 186:465.0 187:209.0 188:189.0 189:326.0 190:187.0 191:7629.0 192:5425.0 193:30133.0 194:5220.0 195:2554.0 196:864.0 197:3961.0 198:1176.0 199:496.0 200:988.0 201:248.0 202:221.0 204:217.0 205:1352.0 206:35628.0 207:20005.0 208:10550.0 209:2627.0 210:1084.0 211:5263.0 212:1486.0 213:820.0 214:538.0 215:156.0 216:489.0 217:174.0 218:225.0 219:297.0 220:262.0 221:828.0 222:4925.0 223:4441.0 224:3263.0 225:1129.0 226:661.0 227:351.0 228:97.0 229:195.0 230:147.0 231:207.0 232:151.0 233:193.0 234:205.0 235:2975.0 236:1563.0 237:1821.0 238:11769.0 239:5264.0 240:1756.0 241:760.0 242:212.0 243:89.0 244:140.0 247:92.0 248:185.0 249:7113.0 250:2098.0 251:1656.0 252:1217.0 253:658.0 254:322.0 255:148.0 256:80.0 257:318.0 258:415.0 259:325.0 260:58.0 261:87.0 262:19.0 263:758.0 264:1686.0 265:252895.0 266:61751.0 267:24493.0 268:4214.0 269:475.0 270:207.0 271:223.0 272:227.0 273:16.0 274:264.0 275:322.0 276:174.0 277:136.0 278:39.0 279:8482.0 280:83394.0 281:21166.0 282:8018.0 283:1374.0 284:256.0 285:53.0 286:24.0 288:20.0 292:8.0 295:2.0 296:6.0 297:44.0 298:3.0 299:123.0 302:23.0 307:16.0 309:19.0 312:47.0 313:19.0 314:10.0 315:37.0 316:36.0 318:3.0 323:6.0 326:15.0 330:75.0 331:14.0 332:11.0 334:6.0 335:10.0 337:1.0 338:11.0 341:13.0 349:23.0 350:3.0 353:2.0 357:26.0 358:20.0 361:14.0 365:12.0 366:8.0 370:30.0 374:5.0 376:44.0 377:17.0 379:9.0 396:3.0 399:1.0 406:24.0 410:1.0 417:1.0 420:111.0 421:43.0 422:7.0 428:1.0 434:1.0 436:10.0 438:6.0 440:1.0 442:12.0 447:6.0 448:10.0 451:7.0 453:4.0 457:16.0 462:11.0 466:2.0 468:29.0 486:17.0 488:2.0 492:4.0 497:1.0 790 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N hypotaurine 525092 188 31223 86:1014.0 87:116.0 88:90.0 89:68.0 90:17.0 91:63.0 92:40.0 94:26.0 98:37.0 99:240.0 100:6173.0 101:708.0 102:301.0 103:213.0 104:146.0 105:183.0 106:48.0 110:49.0 113:142.0 114:1274.0 117:377.0 118:68.0 119:29.0 120:26.0 121:58.0 122:28.0 123:14.0 126:44.0 127:49.0 128:31.0 129:49.0 130:843.0 131:338.0 133:665.0 134:59.0 135:121.0 136:23.0 137:78.0 140:230.0 141:34.0 142:206.0 144:249.0 145:134.0 146:62.0 147:1218.0 148:590.0 151:21.0 156:135.0 157:203.0 158:127.0 159:91.0 160:61.0 162:21.0 163:18.0 164:6.0 166:27.0 172:656.0 173:198.0 174:1048.0 175:181.0 176:426.0 177:41.0 178:56.0 183:41.0 186:161.0 188:4497.0 189:697.0 190:288.0 191:53.0 194:45.0 195:20.0 202:15.0 210:20.0 212:21.0 215:25.0 216:24.0 222:44.0 223:13.0 226:21.0 231:14.0 240:24.0 241:19.0 247:15.0 248:54.0 250:16.0 251:14.0 253:27.0 254:14.0 255:29.0 266:17.0 267:28.0 268:26.0 269:20.0 274:16.0 275:28.0 276:15.0 279:19.0 283:30.0 284:25.0 285:12.0 287:26.0 288:33.0 293:14.0 294:17.0 295:20.0 298:16.0 302:21.0 303:22.0 307:25.0 309:15.0 310:120.0 311:47.0 312:18.0 314:146.0 317:12.0 319:31.0 322:26.0 325:17.0 327:21.0 332:20.0 334:16.0 336:26.0 337:13.0 338:13.0 339:7.0 341:27.0 343:20.0 345:19.0 346:24.0 347:25.0 348:20.0 350:14.0 351:18.0 361:16.0 362:13.0 365:14.0 381:17.0 388:22.0 390:11.0 394:13.0 399:13.0 402:25.0 403:29.0 407:15.0 410:26.0 417:20.0 421:14.0 426:12.0 432:17.0 445:20.0 447:7.0 457:8.0 462:11.0 464:27.0 469:12.0 475:20.0 488:11.0 107812 C00519 VVIUBCNYACGLLV-UHFFFAOYSA-N hydroxycarbamate 325948 278 7010 86:1090.0 87:384.0 89:78.0 99:251.0 102:276.0 107:178.0 108:1.0 110:207.0 119:381.0 127:1.0 131:531.0 132:298.0 133:1122.0 135:10.0 143:27.0 146:671.0 147:8487.0 148:1209.0 149:624.0 155:128.0 157:23.0 160:1255.0 161:198.0 162:131.0 163:12.0 169:38.0 171:2468.0 172:143.0 173:288.0 186:141.0 189:1974.0 190:204.0 193:109.0 194:27.0 205:140.0 206:5.0 207:302.0 208:56.0 209:7.0 221:55.0 261:10.0 267:55.0 278:1598.0 279:432.0 280:178.0 281:41.0 341:33.0 355:42.0 481:1.0 16639161 DRAJWRKLRBNJRQ-UHFFFAOYSA-N homoserine 443878 218 2849 101:66.0 102:400.0 103:4169.0 104:311.0 105:88.0 108:5.0 113:20.0 114:56.0 115:64.0 116:6.0 117:924.0 118:50.0 125:1.0 128:3071.0 129:503.0 130:734.0 131:345.0 132:149.0 133:513.0 134:269.0 135:55.0 139:3.0 140:11.0 141:19.0 145:11.0 146:159.0 147:1347.0 148:40.0 149:294.0 157:459.0 158:17.0 159:17.0 172:20.0 177:38.0 180:8.0 184:17.0 185:46.0 191:9.0 199:4.0 200:1.0 202:287.0 204:73.0 208:3.0 216:33.0 217:9.0 218:3547.0 219:769.0 220:483.0 221:25.0 230:115.0 231:60.0 237:1.0 247:163.0 254:6.0 264:1.0 266:15.0 292:97.0 294:8.0 299:29.0 300:28.0 317:12.0 327:2.0 335:1.0 347:2.0 374:15.0 386:1.0 421:11.0 424:3.0 435:18.0 455:2.0 460:1.0 468:10.0 477:7.0 484:18.0 12647 C00263 UKAUYVFTDYCKQA-VKHMYHEASA-N heptanoic acid 286291 187 122191 85:1365.0 86:1735.0 87:501.0 88:1264.0 89:1213.0 90:270.0 91:407.0 93:794.0 95:6639.0 96:513.0 97:544.0 99:1392.0 100:205.0 101:2510.0 102:402.0 105:3672.0 106:267.0 110:94.0 111:372.0 112:646.0 113:431.0 115:387.0 116:4334.0 117:46601.0 118:4453.0 119:1949.0 120:107.0 123:19.0 125:39.0 128:247.0 129:13878.0 131:16378.0 132:12189.0 133:2234.0 134:518.0 141:100.0 143:2895.0 144:360.0 145:3226.0 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300:19.0 301:23.0 302:33.0 308:19.0 314:23.0 315:28.0 316:27.0 317:23.0 320:12.0 326:58.0 327:578.0 328:196.0 329:37.0 330:26.0 332:12.0 333:13.0 334:18.0 338:25.0 342:81.0 345:34.0 349:14.0 350:20.0 353:12.0 354:22.0 357:18.0 362:14.0 368:31.0 386:16.0 391:13.0 407:14.0 441:17.0 450:14.0 452:17.0 453:22.0 454:29.0 457:18.0 460:24.0 465:21.0 469:16.0 471:13.0 473:24.0 474:19.0 477:22.0 478:24.0 479:26.0 483:21.0 486:27.0 488:15.0 490:22.0 494:18.0 495:24.0 497:23.0 499:17.0 500:16.0 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N gulonolactone 662445 243 411124 85:17524.0 86:12328.0 87:29992.0 88:12870.0 89:51781.0 90:5361.0 91:3159.0 93:814.0 94:1933.0 95:11847.0 96:2415.0 97:121279.0 98:12195.0 99:22775.0 100:11295.0 101:64232.0 102:44389.0 103:315503.0 104:30507.0 105:23001.0 106:1926.0 107:4317.0 109:1978.0 111:18556.0 112:4609.0 113:14590.0 114:6249.0 115:36246.0 116:31220.0 117:122272.0 118:16427.0 119:32183.0 120:3701.0 121:3843.0 123:1102.0 124:642.0 125:8269.0 126:3076.0 127:15203.0 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116:505.0 117:2068.0 118:19.0 119:111.0 129:3086.0 130:248.0 131:1536.0 132:221.0 133:1744.0 135:112.0 136:31.0 141:23.0 143:419.0 144:45.0 147:6254.0 148:466.0 149:464.0 150:25.0 158:13.0 159:168.0 169:405.0 172:18.0 175:156.0 189:502.0 190:237.0 191:1005.0 192:114.0 193:51.0 199:32.0 203:276.0 204:12834.0 205:2295.0 206:1051.0 207:226.0 210:26.0 211:18.0 215:29.0 217:2304.0 218:608.0 219:433.0 220:66.0 222:44.0 231:179.0 232:11.0 234:25.0 241:33.0 242:53.0 243:183.0 257:79.0 265:43.0 271:64.0 277:37.0 294:50.0 305:137.0 306:14.0 308:57.0 309:18.0 313:22.0 317:15.0 322:58.0 325:7.0 332:41.0 333:71.0 335:52.0 337:433.0 338:151.0 339:62.0 345:9.0 346:14.0 347:23.0 351:56.0 353:42.0 360:38.0 361:212.0 362:89.0 363:59.0 364:10.0 365:9.0 378:42.0 420:28.0 443:12.0 479:10.0 481:38.0 484:22.0 494:24.0 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 343794 205 356573 86:30597.0 89:21613.0 103:125889.0 117:141953.0 119:14010.0 129:21400.0 133:67829.0 144:670.0 145:1272.0 174:91903.0 175:25811.0 176:7522.0 177:9204.0 203:9689.0 205:89790.0 206:17957.0 217:4799.0 218:30180.0 219:4801.0 220:2024.0 262:1689.0 263:842.0 264:272.0 265:218.0 277:210.0 293:1951.0 294:525.0 295:342.0 320:44.0 325:216.0 332:32.0 340:55.0 341:328.0 342:113.0 343:85.0 344:51.0 347:49.0 350:51.0 356:36.0 368:31.0 408:49.0 429:134.0 451:51.0 753 PEDCQBHIVMGVHV-UHFFFAOYSA-N glyceric acid 377308 189 394878 87:1831.0 88:928.0 91:529.0 93:1041.0 95:791.0 96:1138.0 100:1947.0 101:4605.0 102:21019.0 103:23383.0 104:3795.0 105:2757.0 108:2348.0 113:722.0 114:762.0 115:3205.0 116:2271.0 117:2738.0 118:1986.0 119:2762.0 120:586.0 121:223.0 130:7187.0 131:5463.0 132:1954.0 133:25557.0 134:2586.0 135:3526.0 143:457.0 147:45511.0 148:10008.0 149:5843.0 150:825.0 152:713.0 158:59.0 159:395.0 160:155.0 163:804.0 170:211.0 175:2454.0 176:736.0 177:1811.0 181:302.0 184:159.0 189:24767.0 190:4734.0 191:1916.0 192:102.0 194:250.0 203:177.0 204:946.0 205:4811.0 206:1184.0 209:184.0 213:110.0 216:68.0 218:415.0 219:400.0 220:281.0 221:1044.0 222:249.0 227:988.0 232:170.0 258:49.0 261:160.0 277:52.0 279:155.0 284:86.0 292:8532.0 293:2754.0 294:800.0 295:342.0 302:72.0 307:1597.0 308:500.0 309:282.0 317:37.0 322:94.0 327:187.0 330:85.0 351:52.0 356:67.0 367:37.0 391:42.0 396:58.0 397:28.0 400:41.0 411:37.0 442:39.0 449:51.0 452:36.0 453:52.0 455:33.0 458:31.0 460:55.0 478:47.0 480:57.0 482:48.0 485:35.0 486:50.0 488:35.0 752 C00258 RBNPOMFGQQGHHO-UHFFFAOYSA-N glutathione 761296 213 84386 85:57.0 86:293.0 88:52.0 89:291.0 91:68.0 92:107.0 93:168.0 94:238.0 95:2835.0 96:535.0 97:65.0 98:157.0 100:441.0 102:233.0 103:524.0 104:202.0 105:243.0 106:87.0 107:4001.0 108:570.0 109:361.0 112:102.0 114:95.0 115:203.0 116:374.0 117:448.0 118:69.0 119:184.0 120:62.0 121:118.0 122:107.0 123:47.0 124:99.0 125:84.0 126:42.0 127:147.0 129:1131.0 130:238.0 131:325.0 132:150.0 133:278.0 134:92.0 135:1385.0 136:329.0 137:162.0 139:85.0 140:56.0 141:171.0 142:262.0 143:142.0 144:159.0 145:300.0 146:104.0 148:326.0 150:53.0 151:81.0 152:60.0 153:56.0 154:50.0 155:114.0 156:95.0 161:28.0 162:46.0 163:61.0 164:800.0 165:224.0 166:35.0 167:94.0 168:38.0 169:17.0 170:64.0 177:49.0 178:40.0 179:38.0 180:30.0 181:86.0 184:58.0 185:82.0 187:35.0 188:13.0 192:408.0 193:143.0 194:39.0 195:92.0 197:162.0 198:41.0 200:27.0 201:34.0 202:13.0 203:62.0 206:55.0 208:44.0 209:122.0 210:20.0 211:148.0 212:75.0 213:5164.0 214:783.0 215:255.0 217:113.0 218:33.0 219:75.0 220:30.0 221:60.0 222:17.0 224:37.0 225:197.0 226:62.0 227:85.0 235:15.0 236:40.0 237:99.0 238:60.0 239:113.0 240:37.0 241:85.0 242:23.0 243:45.0 249:21.0 250:20.0 252:25.0 253:232.0 254:31.0 255:202.0 256:66.0 257:78.0 258:34.0 260:16.0 261:25.0 264:24.0 265:56.0 266:93.0 267:34.0 269:36.0 270:13.0 277:19.0 278:21.0 280:13.0 281:44.0 282:2268.0 283:516.0 284:144.0 285:111.0 286:40.0 287:29.0 292:20.0 293:15.0 294:23.0 295:38.0 297:25.0 298:34.0 299:195.0 300:88.0 303:25.0 309:22.0 312:37.0 313:22.0 315:116.0 316:57.0 317:42.0 319:25.0 325:17.0 327:16.0 328:15.0 329:29.0 330:58.0 334:30.0 338:12.0 340:36.0 341:30.0 345:45.0 347:20.0 348:16.0 350:20.0 353:14.0 354:25.0 356:44.0 357:49.0 358:26.0 359:56.0 360:20.0 366:14.0 367:23.0 368:16.0 370:19.0 371:12.0 372:29.0 373:41.0 374:33.0 382:21.0 384:214.0 385:82.0 386:54.0 387:35.0 388:23.0 389:27.0 390:13.0 391:19.0 392:19.0 393:12.0 394:14.0 395:13.0 399:17.0 401:19.0 437:14.0 441:14.0 442:12.0 444:16.0 445:71.0 446:19.0 455:11.0 460:14.0 461:19.0 462:32.0 467:22.0 471:16.0 479:11.0 481:18.0 497:19.0 498:20.0 124886 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N glutaric acid 421596 261 16952 85:4857.0 86:408.0 87:632.0 88:1429.0 89:752.0 92:72.0 93:162.0 94:11.0 95:581.0 97:15164.0 98:1176.0 99:2227.0 101:4169.0 102:981.0 103:27.0 106:67.0 107:367.0 110:432.0 111:140.0 113:709.0 114:83.0 115:2230.0 116:9480.0 117:5385.0 118:622.0 119:88.0 123:1269.0 124:368.0 126:294.0 127:328.0 128:231.0 129:14698.0 130:6115.0 131:3690.0 132:878.0 133:5237.0 138:106.0 140:284.0 141:16.0 142:59.0 143:866.0 144:129.0 145:1316.0 146:54.0 147:101389.0 148:14297.0 149:12632.0 150:1652.0 151:498.0 152:14.0 155:1021.0 156:2761.0 157:300.0 158:17490.0 159:4197.0 160:949.0 161:18.0 162:630.0 168:140.0 170:81.0 171:624.0 172:124.0 173:5.0 175:13.0 177:8.0 178:7.0 183:584.0 184:122.0 186:5221.0 187:2061.0 188:206.0 189:1542.0 190:295.0 198:5.0 200:21.0 201:182.0 202:6.0 203:4529.0 204:4154.0 205:639.0 206:19.0 215:2.0 216:20.0 217:42.0 219:83.0 220:32.0 221:46.0 222:6.0 225:8.0 230:508.0 231:26.0 233:4724.0 234:1063.0 235:404.0 236:28.0 239:2.0 241:61.0 243:57.0 244:158.0 245:309.0 254:3.0 258:1710.0 259:250.0 260:105.0 261:11317.0 262:2578.0 263:1015.0 264:116.0 273:337.0 276:16.0 277:5.0 291:5.0 292:46.0 293:15.0 294:1.0 323:2.0 342:19.0 386:1.0 743 C00489 JFCQEDHGNNZCLN-UHFFFAOYSA-N glutamine 600000 156 171972 86:1008.0 87:256.0 88:222.0 90:245.0 94:189.0 96:280.0 97:328.0 98:717.0 100:3469.0 101:366.0 102:313.0 104:214.0 107:149.0 112:1011.0 113:678.0 114:1746.0 116:2134.0 118:20.0 119:321.0 121:86.0 126:499.0 128:4093.0 131:1699.0 132:1288.0 133:2351.0 139:1107.0 140:1327.0 141:56.0 142:377.0 144:424.0 145:1566.0 147:10332.0 148:1224.0 149:833.0 150:22.0 155:12949.0 156:35859.0 157:2758.0 158:1324.0 167:43.0 172:401.0 173:435.0 174:89.0 175:16.0 181:39.0 203:1829.0 211:142.0 213:151.0 216:276.0 218:961.0 227:378.0 228:103.0 229:1088.0 230:761.0 231:289.0 232:448.0 237:47.0 240:101.0 241:69.0 244:228.0 245:3073.0 246:703.0 247:353.0 248:125.0 257:309.0 258:218.0 269:73.0 272:157.0 273:200.0 290:58.0 301:72.0 303:52.0 320:47.0 327:54.0 347:500.0 348:51.0 349:50.0 363:116.0 405:54.0 459:62.0 468:43.0 476:35.0 500:39.0 5961 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N glutamic acid 489240 174 62245 85:467865.0 86:64094.0 88:32861.0 89:26374.0 90:8704.0 91:18223.0 92:2947.0 93:643.0 94:2871.0 95:3473.0 96:2772.0 98:11481.0 99:11306.0 100:26566.0 101:48699.0 102:28371.0 103:63109.0 104:10692.0 105:8292.0 106:1102.0 108:2160.0 110:3756.0 111:1255.0 112:31454.0 113:12985.0 114:22937.0 115:19830.0 116:90470.0 117:81171.0 118:17445.0 119:11118.0 120:1969.0 122:3511.0 123:376.0 124:4975.0 125:223.0 126:5067.0 127:2888.0 128:20994.0 129:68581.0 130:104416.0 131:86414.0 132:24034.0 133:68105.0 134:11251.0 135:6504.0 136:1712.0 137:896.0 138:930.0 140:122523.0 141:27513.0 142:31222.0 143:5246.0 144:29767.0 145:34371.0 146:54338.0 147:227287.0 148:34498.0 149:37454.0 150:7218.0 151:3272.0 152:942.0 153:413.0 154:2661.0 156:368394.0 157:34610.0 158:529131.0 159:127949.0 160:43519.0 161:7383.0 162:1882.0 163:651.0 164:339.0 165:232.0 166:312.0 167:42.0 168:3490.0 169:2617.0 170:2345.0 172:7165.0 173:52129.0 174:968736.0 175:276419.0 176:71644.0 177:11464.0 178:1309.0 179:419.0 180:325.0 184:2042.0 185:6359.0 186:203528.0 187:47048.0 188:13177.0 189:3364.0 190:1502.0 191:552.0 193:125.0 194:140.0 198:884.0 199:398.0 200:944.0 201:43905.0 202:12916.0 203:4694.0 204:2959.0 205:733.0 206:299.0 207:336.0 208:129.0 209:553.0 212:627.0 213:531.0 214:7091.0 215:3053.0 216:2249.0 217:619.0 218:729.0 219:733.0 220:439.0 221:450.0 222:435.0 223:225.0 224:257.0 227:221.0 228:3993.0 229:1735.0 230:113700.0 231:27920.0 232:12654.0 233:2322.0 234:771.0 236:173.0 237:537.0 238:217.0 242:421.0 243:279.0 244:553.0 245:448.0 246:5886.0 247:2572.0 248:35692.0 249:13393.0 250:4926.0 251:1519.0 252:564.0 256:426.0 257:610.0 258:30272.0 259:8436.0 260:3527.0 261:902.0 262:454.0 263:572.0 264:329.0 265:323.0 266:224.0 267:286.0 268:269.0 269:225.0 270:128.0 271:404.0 272:686.0 273:4825.0 274:2035.0 275:1293.0 276:83684.0 277:31459.0 278:11795.0 279:2610.0 280:508.0 281:130.0 282:90.0 283:376.0 284:38.0 286:81.0 287:62.0 288:72.0 290:143.0 292:698.0 293:330.0 294:123.0 295:67.0 296:44.0 297:68.0 298:28.0 299:584.0 300:282.0 301:140.0 302:68.0 303:82.0 309:30.0 310:50.0 316:87.0 317:45.0 318:71.0 319:72.0 320:137.0 321:86.0 322:66.0 323:47.0 324:55.0 325:88.0 326:3.0 327:62.0 328:50.0 329:72.0 330:48.0 331:72.0 333:51.0 334:68.0 335:54.0 336:60.0 337:48.0 338:53.0 339:58.0 340:62.0 341:73.0 342:56.0 343:63.0 344:57.0 345:82.0 346:90.0 347:89.0 348:284.0 349:154.0 350:83.0 351:72.0 352:80.0 353:65.0 354:77.0 355:53.0 356:57.0 357:34.0 358:67.0 359:48.0 360:62.0 361:62.0 362:80.0 363:147.0 364:96.0 365:76.0 366:71.0 367:75.0 368:58.0 369:85.0 370:66.0 371:74.0 372:67.0 373:38.0 374:86.0 375:60.0 376:74.0 377:57.0 378:45.0 379:70.0 380:62.0 381:85.0 382:74.0 383:76.0 384:68.0 385:84.0 386:62.0 387:64.0 388:51.0 389:57.0 390:75.0 391:65.0 392:69.0 393:69.0 394:74.0 395:67.0 396:74.0 397:41.0 398:71.0 399:64.0 400:54.0 401:51.0 402:37.0 403:45.0 404:70.0 405:60.0 406:77.0 407:76.0 408:70.0 409:71.0 410:74.0 411:79.0 412:67.0 413:74.0 414:70.0 415:64.0 416:53.0 417:68.0 418:68.0 419:75.0 420:71.0 421:84.0 422:51.0 423:63.0 424:73.0 425:84.0 426:60.0 427:71.0 428:51.0 429:69.0 430:74.0 431:75.0 432:50.0 433:64.0 434:50.0 435:63.0 436:68.0 437:54.0 438:44.0 439:61.0 440:58.0 441:67.0 442:76.0 443:77.0 444:67.0 445:69.0 446:89.0 447:166.0 448:81.0 449:65.0 450:95.0 451:45.0 452:72.0 453:63.0 454:65.0 455:57.0 456:74.0 457:63.0 458:73.0 459:62.0 460:53.0 461:66.0 462:67.0 463:55.0 464:43.0 465:77.0 466:75.0 467:65.0 468:56.0 469:75.0 470:63.0 471:67.0 472:56.0 473:52.0 474:83.0 475:68.0 476:68.0 477:65.0 478:76.0 479:71.0 480:70.0 481:58.0 482:48.0 483:65.0 484:78.0 485:64.0 486:58.0 487:68.0 488:55.0 489:66.0 490:56.0 491:76.0 492:63.0 493:70.0 494:60.0 495:60.0 496:55.0 497:69.0 498:63.0 499:54.0 500:67.0 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N glucuronic acid 665901 333 344793 96:183.0 101:343.0 104:391.0 105:404.0 114:173.0 116:299.0 118:199.0 129:212.0 131:935.0 133:2270.0 140:93.0 142:73.0 143:1502.0 145:268.0 147:12395.0 148:991.0 149:975.0 157:922.0 158:137.0 160:9222.0 161:1178.0 163:298.0 169:69.0 184:291.0 189:2493.0 191:243.0 192:148.0 200:124.0 201:100.0 203:144.0 204:559.0 205:544.0 206:869.0 215:56.0 216:211.0 217:2377.0 218:761.0 219:1170.0 220:242.0 224:49.0 229:327.0 230:82.0 231:643.0 232:114.0 234:101.0 241:61.0 244:85.0 245:231.0 246:112.0 248:32.0 256:90.0 259:171.0 261:100.0 267:96.0 272:145.0 273:64.0 274:493.0 276:34.0 277:580.0 279:44.0 282:87.0 305:480.0 306:467.0 308:238.0 312:37.0 314:258.0 315:94.0 316:38.0 318:112.0 322:44.0 333:8347.0 334:2876.0 335:1318.0 336:70.0 337:52.0 345:157.0 347:65.0 351:51.0 361:49.0 364:302.0 377:21.0 379:63.0 380:35.0 383:42.0 384:34.0 388:132.0 389:53.0 394:85.0 395:13.0 400:59.0 404:40.0 409:33.0 417:112.0 420:107.0 421:98.0 423:395.0 424:114.0 433:34.0 437:25.0 450:25.0 461:48.0 462:33.0 469:26.0 478:50.0 479:21.0 487:19.0 492:28.0 496:20.0 94715 C00191 AEMOLEFTQBMNLQ-AQKNRBDQSA-N glucose-6-phosphate 808788 387 360626 85:5344.0 86:4973.0 87:3875.0 88:1564.0 89:27862.0 90:2608.0 91:2035.0 92:223.0 93:363.0 94:331.0 95:327.0 96:1058.0 97:1423.0 98:1289.0 99:4317.0 100:8178.0 101:29963.0 102:7778.0 103:23328.0 104:2845.0 105:16740.0 106:2260.0 107:1720.0 109:530.0 110:954.0 111:2033.0 112:1794.0 113:4192.0 114:7313.0 115:7360.0 116:11084.0 117:11837.0 118:1943.0 119:4329.0 120:670.0 121:2026.0 122:274.0 123:786.0 124:699.0 125:485.0 126:1387.0 127:3027.0 128:3245.0 129:50525.0 130:12297.0 131:21070.0 132:3340.0 133:41720.0 134:5830.0 135:8267.0 136:946.0 137:2336.0 138:1827.0 139:645.0 140:915.0 141:1874.0 142:3260.0 143:7927.0 144:1656.0 145:4455.0 146:600.0 147:85381.0 148:13577.0 149:11570.0 150:1488.0 151:3611.0 152:1119.0 153:1188.0 154:1037.0 155:1568.0 156:1594.0 157:23039.0 158:5356.0 159:2720.0 160:54379.0 161:12235.0 162:3056.0 163:3845.0 164:700.0 165:1382.0 166:436.0 167:775.0 168:1554.0 169:2442.0 170:1616.0 171:1925.0 172:1543.0 173:2304.0 174:1264.0 175:1374.0 176:347.0 177:1245.0 178:256.0 179:1099.0 180:1011.0 181:4558.0 182:1010.0 183:1495.0 184:518.0 185:459.0 186:3267.0 187:762.0 188:545.0 189:6523.0 190:1640.0 191:9866.0 192:1868.0 193:5313.0 194:1076.0 195:4259.0 196:2017.0 197:1651.0 198:732.0 199:382.0 200:771.0 201:881.0 202:566.0 203:2107.0 204:10150.0 205:4061.0 206:1397.0 207:8577.0 208:1507.0 209:1693.0 210:1912.0 211:22088.0 212:4915.0 213:2394.0 214:1048.0 215:2337.0 216:3586.0 217:25546.0 218:5956.0 219:2389.0 220:564.0 221:1720.0 222:494.0 223:366.0 224:74.0 225:8165.0 226:1509.0 227:5438.0 228:3777.0 229:2812.0 230:2978.0 231:4610.0 232:1675.0 233:676.0 234:1002.0 235:248.0 236:132.0 237:151.0 238:211.0 239:274.0 240:617.0 241:1250.0 242:757.0 243:3269.0 244:1823.0 245:884.0 246:1329.0 247:7931.0 248:1876.0 249:893.0 250:152.0 251:135.0 253:2198.0 254:876.0 255:923.0 256:741.0 257:292.0 258:387.0 259:1091.0 260:855.0 261:345.0 262:1436.0 263:302.0 264:193.0 265:263.0 266:125.0 267:502.0 268:1315.0 269:2545.0 270:1532.0 271:834.0 272:412.0 273:112.0 274:2020.0 275:740.0 276:644.0 277:440.0 278:225.0 279:86.0 280:80.0 281:305.0 282:90.0 283:2552.0 284:879.0 285:3424.0 286:1629.0 287:778.0 288:230.0 289:184.0 290:238.0 291:1474.0 292:471.0 293:261.0 294:66.0 295:146.0 297:232.0 298:1714.0 299:63315.0 300:17582.0 301:8626.0 302:2558.0 303:708.0 304:281.0 305:1239.0 306:461.0 307:346.0 308:138.0 309:172.0 311:207.0 312:166.0 313:1772.0 314:2922.0 315:28666.0 316:6963.0 317:4222.0 318:1319.0 319:1159.0 322:59.0 323:75.0 324:72.0 327:226.0 328:1111.0 329:408.0 330:442.0 331:8201.0 332:2691.0 333:1275.0 334:314.0 335:104.0 336:52.0 340:135.0 341:3299.0 342:1511.0 343:1028.0 344:446.0 345:264.0 346:159.0 347:93.0 348:116.0 349:80.0 350:82.0 352:80.0 355:104.0 356:635.0 357:24285.0 358:7169.0 359:3576.0 360:946.0 361:332.0 362:94.0 363:71.0 364:1301.0 365:455.0 366:244.0 367:105.0 368:67.0 369:646.0 370:424.0 371:898.0 372:438.0 373:2036.0 374:1047.0 375:600.0 376:776.0 377:320.0 378:126.0 379:94.0 380:19.0 381:71.0 382:90.0 383:289.0 384:200.0 385:515.0 386:4050.0 387:73371.0 388:27088.0 389:15885.0 390:4056.0 391:1393.0 392:357.0 399:60.0 402:119.0 403:1301.0 404:344.0 405:204.0 406:111.0 407:681.0 408:263.0 409:100.0 410:43.0 415:111.0 418:43.0 420:36.0 421:42.0 424:37.0 425:48.0 426:32.0 428:77.0 429:217.0 430:43.0 431:135.0 432:142.0 433:135.0 435:82.0 436:25.0 439:35.0 440:44.0 441:57.0 442:115.0 443:746.0 444:354.0 445:261.0 446:105.0 447:103.0 448:233.0 449:131.0 450:127.0 451:108.0 452:68.0 455:41.0 458:63.0 459:481.0 460:218.0 461:525.0 462:237.0 463:153.0 464:192.0 465:78.0 467:28.0 470:383.0 471:7472.0 472:3270.0 473:1961.0 474:611.0 475:192.0 483:21.0 490:30.0 494:20.0 499:61.0 500:37.0 5958 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N glucose-1-phosphate 597071 217 62291 109:205.0 122:68.0 129:4600.0 133:7138.0 134:1131.0 135:846.0 147:23317.0 149:2978.0 169:684.0 182:51.0 185:16.0 191:2374.0 203:1251.0 208:13.0 209:212.0 217:54427.0 218:15599.0 219:5988.0 220:998.0 222:106.0 230:73.0 231:434.0 232:4671.0 233:1453.0 234:392.0 241:322.0 242:193.0 247:70.0 255:297.0 257:334.0 262:72.0 280:196.0 285:122.0 290:8.0 291:94.0 294:204.0 295:264.0 296:153.0 302:10.0 304:16.0 305:1190.0 306:432.0 307:137.0 308:30.0 309:20.0 317:222.0 318:209.0 320:7.0 324:4.0 325:3.0 338:124.0 339:26.0 345:132.0 346:23.0 354:14.0 360:20.0 361:7.0 362:57.0 363:9.0 379:11.0 435:27.0 436:4.0 449:53.0 450:796.0 451:425.0 452:121.0 453:37.0 65533 C00103 HXXFSFRBOHSIMQ-VFUOTHLCSA-N glucose 657941 319 88048 85:202.0 86:370.0 87:15814.0 88:1126.0 89:2841.0 90:290.0 94:48.0 96:161.0 99:1499.0 100:716.0 101:1285.0 102:364.0 103:4860.0 104:294.0 105:345.0 106:230.0 107:66.0 108:14.0 109:115.0 110:221.0 111:151.0 112:87.0 113:1299.0 114:223.0 115:482.0 116:983.0 117:7481.0 118:924.0 119:347.0 120:121.0 123:14.0 125:40.0 126:47.0 127:53.0 128:778.0 129:7452.0 130:1046.0 131:1985.0 132:199.0 133:2609.0 134:205.0 135:448.0 137:281.0 138:5.0 140:25.0 141:398.0 142:542.0 143:1314.0 144:784.0 145:193.0 146:102.0 147:15439.0 148:1966.0 149:1417.0 150:169.0 152:128.0 153:46.0 154:43.0 155:130.0 156:126.0 157:3625.0 158:1163.0 159:437.0 160:126.0 161:66.0 163:272.0 164:74.0 165:83.0 166:4.0 167:82.0 168:390.0 169:118.0 170:235.0 171:324.0 172:53.0 173:524.0 174:74.0 175:200.0 177:87.0 179:113.0 180:6.0 181:68.0 182:81.0 183:36.0 184:47.0 185:96.0 186:108.0 187:31.0 188:38.0 189:1072.0 190:330.0 191:173.0 192:1.0 195:164.0 196:235.0 197:234.0 198:33.0 199:8.0 200:18.0 201:695.0 202:181.0 203:19.0 204:737.0 205:7668.0 206:1351.0 207:553.0 208:60.0 211:49.0 213:154.0 214:4.0 215:208.0 216:550.0 217:3492.0 218:872.0 219:329.0 220:35.0 221:77.0 222:1.0 225:3.0 227:357.0 228:60.0 229:874.0 230:330.0 231:230.0 232:428.0 233:155.0 234:52.0 235:18.0 236:17.0 240:1.0 241:1.0 242:76.0 243:2.0 244:96.0 245:10.0 246:21.0 247:17.0 248:4.0 252:5.0 253:32.0 255:11.0 258:91.0 259:23.0 260:47.0 261:27.0 269:46.0 270:65.0 271:26.0 272:7.0 273:9.0 277:10.0 278:3.0 285:122.0 286:20.0 288:4.0 289:25.0 291:266.0 292:33.0 293:13.0 301:20.0 303:62.0 305:78.0 306:71.0 307:4.0 317:9.0 318:34.0 319:3744.0 320:1301.0 321:562.0 322:109.0 327:1.0 329:4.0 332:3.0 333:2.0 334:5.0 336:6.0 337:4.0 340:4.0 348:16.0 351:1.0 359:11.0 368:12.0 375:61.0 376:20.0 385:21.0 388:3.0 391:3.0 392:15.0 394:2.0 396:7.0 398:11.0 401:1.0 410:7.0 424:1.0 436:4.0 450:3.0 460:1.0 465:1.0 472:3.0 481:59.0 482:36.0 483:16.0 484:8.0 64689 C00221 WQZGKKKJIJFFOK-VFUOTHLCSA-N gluconolactone 643576 220 419254 86:374.0 87:931.0 88:138.0 89:2628.0 90:282.0 92:43.0 96:79.0 97:870.0 98:139.0 99:965.0 101:1924.0 102:2910.0 103:9604.0 104:1287.0 107:121.0 109:60.0 111:627.0 113:758.0 115:1082.0 116:961.0 117:2843.0 118:506.0 119:1192.0 120:172.0 121:183.0 125:190.0 127:612.0 128:222.0 129:23034.0 130:4426.0 131:3242.0 132:508.0 133:7567.0 134:783.0 135:689.0 136:109.0 137:51.0 139:76.0 140:71.0 141:502.0 142:391.0 143:4352.0 144:636.0 145:565.0 147:21880.0 148:3520.0 149:2473.0 150:361.0 151:83.0 153:752.0 155:1276.0 156:398.0 157:913.0 158:1004.0 159:493.0 163:336.0 169:3621.0 170:360.0 171:748.0 175:517.0 176:244.0 177:716.0 178:48.0 179:40.0 181:81.0 182:84.0 187:143.0 189:2900.0 190:883.0 191:1916.0 193:69.0 197:525.0 198:82.0 199:362.0 200:84.0 201:495.0 202:146.0 203:564.0 204:3558.0 206:648.0 207:299.0 212:40.0 213:34.0 214:76.0 215:796.0 217:4042.0 218:906.0 219:989.0 220:4395.0 221:1253.0 222:513.0 223:116.0 226:79.0 227:633.0 228:207.0 229:2911.0 230:1174.0 231:1103.0 232:309.0 233:361.0 234:59.0 235:44.0 238:15.0 241:91.0 242:657.0 243:2467.0 244:689.0 245:844.0 246:225.0 250:16.0 251:35.0 257:327.0 258:177.0 259:406.0 260:131.0 261:99.0 269:56.0 270:66.0 271:758.0 272:189.0 273:166.0 274:32.0 275:42.0 287:34.0 291:350.0 292:156.0 293:101.0 298:94.0 303:21.0 304:82.0 305:408.0 306:131.0 313:22.0 317:493.0 318:275.0 319:4551.0 320:1491.0 321:993.0 322:109.0 323:85.0 330:45.0 331:369.0 333:752.0 334:240.0 335:194.0 336:62.0 338:14.0 344:54.0 348:17.0 352:13.0 360:49.0 361:917.0 362:316.0 363:151.0 387:23.0 388:24.0 389:116.0 395:43.0 400:22.0 405:22.0 408:12.0 410:10.0 411:22.0 416:14.0 417:38.0 419:73.0 420:18.0 421:24.0 422:17.0 423:20.0 426:37.0 428:31.0 437:17.0 439:17.0 451:99.0 452:69.0 453:25.0 454:9.0 464:27.0 465:40.0 466:162.0 467:109.0 468:34.0 484:14.0 493:14.0 7027 C00198 PHOQVHQSTUBQQK-SQOUGZDYSA-N gluconic acid 693148 333 7501 87:39.0 89:155.0 99:15.0 100:306.0 101:268.0 102:393.0 103:2729.0 104:264.0 105:196.0 109:2.0 111:2.0 113:144.0 116:8.0 117:1117.0 118:12.0 127:30.0 129:1186.0 130:285.0 131:546.0 132:183.0 133:997.0 134:13.0 137:1.0 139:7.0 140:38.0 141:4.0 142:28.0 143:746.0 144:263.0 145:25.0 147:6161.0 148:1144.0 149:642.0 150:39.0 151:46.0 153:74.0 154:66.0 155:3.0 157:599.0 159:89.0 160:27.0 161:88.0 164:14.0 166:16.0 168:50.0 169:102.0 170:4.0 171:328.0 172:130.0 175:132.0 177:22.0 178:40.0 182:6.0 185:1.0 188:12.0 189:815.0 190:148.0 191:208.0 193:71.0 197:104.0 198:5.0 199:1.0 201:22.0 203:114.0 204:678.0 205:1272.0 206:309.0 207:153.0 215:154.0 216:154.0 217:1887.0 218:850.0 219:423.0 220:71.0 221:320.0 222:33.0 223:25.0 229:303.0 230:25.0 231:111.0 232:35.0 233:19.0 237:35.0 239:19.0 241:5.0 243:104.0 245:193.0 246:73.0 247:73.0 248:14.0 249:29.0 255:37.0 257:64.0 258:26.0 259:98.0 260:22.0 261:78.0 263:68.0 265:70.0 266:34.0 267:19.0 268:3.0 269:65.0 270:10.0 272:22.0 273:46.0 274:12.0 276:11.0 277:318.0 278:173.0 279:93.0 280:26.0 281:20.0 283:7.0 284:49.0 288:4.0 289:16.0 290:3.0 291:100.0 292:1494.0 293:519.0 294:243.0 295:26.0 296:7.0 301:14.0 303:27.0 304:17.0 305:815.0 306:266.0 307:361.0 308:64.0 311:12.0 314:7.0 315:22.0 316:15.0 317:16.0 318:18.0 319:562.0 320:339.0 321:186.0 322:55.0 323:11.0 324:38.0 329:25.0 331:215.0 332:100.0 333:1763.0 334:520.0 335:265.0 336:75.0 337:8.0 340:12.0 343:10.0 344:4.0 345:101.0 346:36.0 347:50.0 348:10.0 351:12.0 359:285.0 360:69.0 361:70.0 364:15.0 365:10.0 366:1.0 369:2.0 370:9.0 372:17.0 379:34.0 380:3.0 381:48.0 388:24.0 389:10.0 391:5.0 392:24.0 393:48.0 394:44.0 395:9.0 397:7.0 401:30.0 405:52.0 406:7.0 408:48.0 410:4.0 412:2.0 413:5.0 414:6.0 417:5.0 419:12.0 422:34.0 423:221.0 424:45.0 425:30.0 427:8.0 432:11.0 433:162.0 434:47.0 435:128.0 436:34.0 437:42.0 438:27.0 440:3.0 443:2.0 444:20.0 445:24.0 446:8.0 449:1.0 451:28.0 452:10.0 453:10.0 454:10.0 455:49.0 464:13.0 476:2.0 478:10.0 479:4.0 480:10.0 482:20.0 6857417 C00800 RGHNJXZEOKUKBD-QTBDOELSSA-N glucoheptulose 828606 217 3191 85:139.0 86:13.0 89:1593.0 91:2.0 94:55.0 97:1692.0 98:126.0 99:121.0 100:313.0 101:365.0 103:5867.0 104:480.0 105:349.0 109:19.0 111:2.0 114:1800.0 115:154.0 116:242.0 117:2040.0 118:246.0 119:195.0 120:35.0 122:30.0 128:61.0 129:1591.0 130:174.0 131:183.0 133:1318.0 134:156.0 136:15.0 141:68.0 142:187.0 143:391.0 144:75.0 147:6372.0 148:889.0 149:623.0 152:13.0 154:11.0 156:61.0 157:517.0 158:120.0 159:80.0 160:16.0 161:17.0 163:75.0 166:11.0 169:863.0 170:230.0 171:10.0 172:231.0 173:198.0 174:66.0 175:186.0 186:71.0 188:38.0 189:583.0 190:298.0 191:4525.0 192:817.0 193:211.0 194:84.0 197:9.0 199:35.0 201:59.0 202:94.0 203:12.0 204:1202.0 205:1868.0 206:369.0 207:148.0 208:106.0 215:23.0 216:58.0 217:3888.0 218:737.0 219:334.0 220:35.0 221:126.0 222:53.0 229:82.0 230:72.0 231:77.0 232:16.0 233:24.0 235:9.0 242:6.0 243:62.0 244:59.0 245:20.0 246:18.0 252:6.0 256:23.0 257:1.0 258:10.0 259:1012.0 260:248.0 261:92.0 262:751.0 263:194.0 264:56.0 265:16.0 271:37.0 277:109.0 278:72.0 289:10.0 290:4.0 291:127.0 292:41.0 295:4.0 296:3.0 304:26.0 305:411.0 306:181.0 307:687.0 308:170.0 309:57.0 310:27.0 312:20.0 316:3.0 317:9.0 318:28.0 319:546.0 320:142.0 321:85.0 324:1.0 330:6.0 331:1076.0 332:428.0 333:238.0 334:39.0 335:11.0 341:16.0 346:6.0 349:8.0 362:2.0 372:1.0 374:16.0 376:99.0 377:26.0 380:2.0 382:15.0 383:1.0 386:13.0 393:4.0 399:1.0 401:15.0 411:4.0 415:15.0 420:5.0 421:302.0 422:115.0 423:49.0 424:9.0 427:6.0 432:14.0 437:8.0 438:10.0 445:1.0 447:15.0 466:9.0 473:34.0 484:1.0 500:2.0 5459879 C02076 HSNZZMHEPUFJNZ-SHUUEZRQSA-N gamma-aminobutyric acid 364801 102 102582 85:363.0 86:826.0 87:509.0 88:215.0 89:159.0 90:24.0 94:28.0 96:95.0 97:78.0 98:573.0 99:396.0 100:2366.0 101:388.0 102:15758.0 103:1636.0 104:519.0 105:39.0 107:66.0 109:56.0 111:25.0 112:169.0 113:60.0 114:179.0 115:2861.0 116:775.0 117:423.0 119:55.0 121:18.0 126:74.0 128:209.0 129:170.0 130:106.0 131:488.0 132:74.0 133:427.0 140:142.0 141:26.0 142:3733.0 143:862.0 144:394.0 145:49.0 147:8419.0 148:1249.0 149:753.0 150:91.0 156:318.0 157:197.0 158:111.0 160:22.0 174:59.0 175:26.0 185:21.0 197:23.0 216:822.0 217:181.0 218:288.0 232:846.0 233:173.0 234:47.0 299:35.0 488:13.0 119 C00334 BTCSSZJGUNDROE-UHFFFAOYSA-N galactose-6-phosphate 828102 387 84204 85:352.0 86:18.0 87:173.0 88:29.0 89:238.0 90:3.0 95:35.0 97:215.0 98:44.0 99:408.0 100:111.0 101:1564.0 102:235.0 103:2611.0 104:160.0 105:125.0 107:126.0 108:137.0 109:343.0 111:347.0 112:25.0 113:1282.0 114:117.0 115:510.0 116:778.0 117:1716.0 118:101.0 119:265.0 120:13.0 121:88.0 125:45.0 127:291.0 128:9.0 129:11377.0 130:1380.0 131:1525.0 132:194.0 133:3384.0 134:381.0 135:599.0 136:15.0 137:84.0 139:33.0 140:10.0 141:191.0 142:625.0 143:970.0 144:123.0 145:297.0 147:9221.0 148:1519.0 149:1087.0 150:104.0 151:300.0 153:177.0 154:5.0 155:803.0 156:122.0 157:538.0 158:57.0 159:151.0 161:542.0 162:6.0 163:41.0 165:5.0 168:31.0 169:606.0 170:192.0 171:319.0 172:36.0 173:102.0 174:20.0 175:113.0 177:134.0 179:44.0 180:97.0 181:174.0 182:48.0 183:343.0 184:17.0 185:34.0 187:20.0 189:1529.0 190:305.0 191:2943.0 192:515.0 193:548.0 194:13.0 195:274.0 196:57.0 197:123.0 198:74.0 199:68.0 203:121.0 204:12491.0 205:2590.0 206:960.0 207:780.0 208:134.0 209:89.0 211:1656.0 212:184.0 213:127.0 215:116.0 216:23.0 217:6445.0 218:1326.0 219:528.0 220:64.0 221:167.0 222:36.0 225:393.0 226:61.0 227:465.0 228:62.0 229:98.0 230:125.0 231:290.0 232:105.0 233:19.0 241:42.0 242:286.0 243:766.0 244:141.0 245:161.0 246:52.0 247:196.0 253:123.0 254:3.0 255:99.0 256:36.0 257:105.0 259:106.0 260:10.0 261:42.0 269:238.0 270:364.0 271:1036.0 272:269.0 273:176.0 274:23.0 276:17.0 283:171.0 284:5.0 285:277.0 286:19.0 289:17.0 291:1.0 297:14.0 298:75.0 299:6080.0 300:1506.0 301:784.0 302:130.0 303:22.0 304:13.0 305:254.0 306:23.0 307:25.0 313:57.0 314:331.0 315:1980.0 316:458.0 317:442.0 318:69.0 319:40.0 328:11.0 331:46.0 332:19.0 333:131.0 334:12.0 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355:48.0 356:76.0 357:819.0 358:379.0 359:180.0 360:130.0 369:143.0 370:26.0 371:46.0 372:42.0 373:178.0 374:135.0 375:45.0 376:83.0 377:17.0 378:15.0 379:89.0 381:7.0 383:69.0 384:12.0 388:85.0 389:112.0 390:69.0 392:24.0 393:36.0 395:17.0 396:40.0 398:23.0 401:1.0 402:71.0 403:238.0 404:122.0 405:63.0 407:64.0 409:34.0 411:2.0 412:26.0 413:8.0 418:23.0 420:27.0 425:27.0 426:66.0 428:14.0 429:42.0 431:16.0 432:30.0 433:51.0 434:35.0 441:8.0 445:3.0 448:1.0 449:72.0 450:94.0 451:73.0 453:4.0 455:6.0 456:23.0 457:10.0 458:54.0 459:632.0 460:322.0 461:275.0 462:147.0 463:21.0 466:29.0 467:17.0 468:27.0 476:12.0 477:11.0 478:1.0 479:30.0 481:8.0 483:30.0 484:14.0 487:2.0 488:27.0 489:21.0 490:14.0 491:35.0 492:1.0 493:13.0 494:4.0 495:10.0 440641 C05345 BGWGXPAPYGQALX-ARQDHWQXSA-N fructose 641863 307 50366 86:65.0 87:79.0 88:18.0 89:2281.0 90:143.0 99:37.0 100:388.0 101:537.0 102:77.0 103:13851.0 104:1258.0 105:563.0 113:20.0 114:164.0 115:201.0 117:1833.0 118:120.0 119:138.0 122:14.0 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341:7.0 342:10.0 345:11.0 346:2.0 347:9.0 349:10.0 350:19.0 354:8.0 356:7.0 357:2.0 364:167.0 369:22.0 370:1.0 371:9.0 373:9.0 375:15.0 376:3.0 380:5.0 385:3.0 388:4.0 395:10.0 397:9.0 398:15.0 399:3.0 400:1.0 403:24.0 405:30.0 407:7.0 408:12.0 412:13.0 414:4.0 419:18.0 421:18.0 423:8.0 424:11.0 425:14.0 426:6.0 427:14.0 431:14.0 432:7.0 433:10.0 435:13.0 440:5.0 442:10.0 449:1.0 450:3.0 457:2.0 458:1.0 460:9.0 463:1.0 466:9.0 467:11.0 469:8.0 470:20.0 478:5.0 482:2.0 488:6.0 499:14.0 439709 C02336 RFSUNEUAIZKAJO-ARQDHWQXSA-N flavin adenine degr. 585245 246 196279 85:2357.0 87:2475.0 88:1301.0 89:12303.0 90:1026.0 92:118.0 94:229.0 95:307.0 99:3520.0 101:10235.0 102:21542.0 103:17765.0 104:2304.0 105:1878.0 109:328.0 111:1131.0 112:653.0 113:2747.0 114:289.0 115:3436.0 116:2246.0 117:43134.0 118:4024.0 119:4314.0 120:345.0 125:639.0 127:1422.0 128:38.0 129:11906.0 130:17160.0 131:9945.0 132:1660.0 133:25320.0 134:2887.0 135:1361.0 141:641.0 142:123.0 143:4445.0 145:422.0 147:56146.0 148:10181.0 149:14169.0 150:2030.0 151:447.0 152:99.0 153:50.0 156:291.0 157:1461.0 158:218.0 159:620.0 161:175.0 162:58.0 163:531.0 165:101.0 169:1379.0 170:144.0 173:406.0 174:138.0 175:493.0 177:1061.0 179:49.0 184:279.0 185:398.0 187:140.0 188:22.0 189:6964.0 190:1168.0 191:2100.0 192:302.0 193:718.0 194:85.0 195:250.0 197:36.0 200:72.0 201:143.0 203:4588.0 204:11915.0 205:2855.0 206:689.0 207:148.0 215:7589.0 216:1339.0 217:17113.0 218:4229.0 219:2022.0 220:523.0 221:1007.0 222:143.0 230:882.0 231:8020.0 232:1018.0 233:799.0 234:127.0 244:295.0 246:9190.0 247:1993.0 248:822.0 249:57.0 254:99.0 259:3041.0 260:646.0 261:295.0 291:219.0 299:59.0 308:27.0 319:49.0 321:75.0 331:76.0 337:28.0 349:537.0 350:108.0 364:1604.0 365:124.0 366:190.0 367:41.0 431:26.0 439:25.0 444188 IMGVNJNCCGXBHD-UYBVJOGSSA-O ethanolamine 344675 174 113567 85:6259.0 87:11744.0 88:4770.0 89:35566.0 90:1339.0 91:4441.0 92:1163.0 93:1961.0 96:1819.0 100:6393.0 101:3188.0 108:1323.0 110:304.0 111:531.0 124:575.0 130:2171.0 140:164.0 143:635.0 149:3652.0 172:1177.0 174:33073.0 175:2807.0 176:1369.0 185:616.0 186:269.0 187:245.0 188:500.0 194:7375.0 196:788.0 197:3780.0 198:921.0 200:366.0 201:127.0 202:321.0 203:630.0 205:5236.0 215:456.0 216:294.0 217:211.0 219:460.0 234:78.0 242:168.0 251:113.0 256:405.0 264:169.0 265:160.0 267:1859.0 271:580.0 275:115.0 277:88.0 282:319.0 283:9555.0 288:128.0 289:131.0 290:262.0 291:125.0 293:565.0 294:212.0 295:162.0 299:148887.0 300:90683.0 301:73214.0 302:22269.0 303:6614.0 305:342.0 306:200.0 307:366.0 308:415.0 309:492.0 310:198.0 314:75892.0 315:20801.0 316:11246.0 317:2239.0 318:561.0 341:21.0 369:42.0 372:88.0 377:38.0 404:8.0 412:105.0 425:40.0 432:38.0 434:60.0 444:48.0 459:28.0 473:13.0 480:38.0 489:70.0 490:38.0 493:72.0 495:60.0 500:69.0 700 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N erythronic acid lactone isomer 407495 247 3187 85:740.0 87:3579.0 88:246.0 89:932.0 90:92.0 94:99.0 95:54.0 96:32.0 97:5.0 99:977.0 101:9109.0 102:4849.0 103:6518.0 104:607.0 105:399.0 106:72.0 110:101.0 111:218.0 112:66.0 113:544.0 114:12.0 115:863.0 116:4791.0 117:12.0 118:116.0 119:763.0 120:15.0 121:13.0 122:10.0 123:4.0 124:2.0 125:6.0 126:181.0 129:2421.0 130:1157.0 131:4670.0 132:1087.0 133:3217.0 134:1524.0 135:43.0 136:53.0 137:10.0 139:22.0 140:187.0 145:72.0 146:34.0 147:38260.0 148:6115.0 149:3132.0 150:277.0 151:99.0 152:7.0 153:5.0 154:5.0 157:376.0 158:89.0 159:18.0 163:58.0 164:11.0 167:5.0 169:3.0 171:6.0 175:33.0 177:256.0 178:9.0 179:59.0 180:82.0 181:4.0 182:6.0 183:2.0 184:18.0 185:7.0 189:1493.0 190:266.0 191:1399.0 192:193.0 193:701.0 194:105.0 195:3.0 196:2.0 198:25.0 199:57.0 201:11.0 203:42.0 204:412.0 205:584.0 206:74.0 207:364.0 208:40.0 209:96.0 213:5.0 215:2.0 216:12.0 217:2103.0 219:611.0 220:5.0 221:7641.0 222:1769.0 223:1069.0 224:116.0 233:448.0 234:35.0 235:35.0 237:15.0 244:3.0 247:3836.0 248:908.0 249:725.0 250:86.0 251:146.0 252:82.0 253:24.0 260:1.0 262:700.0 263:180.0 264:51.0 265:151.0 266:48.0 267:2034.0 268:474.0 269:294.0 270:5.0 272:18.0 273:12.0 274:1.0 276:9.0 277:11.0 278:2.0 281:1915.0 282:566.0 283:295.0 290:4.0 295:5.0 299:1.0 305:1.0 320:21.0 322:4.0 323:146.0 324:13.0 325:43.0 339:116.0 340:6.0 347:8.0 355:637.0 356:243.0 357:187.0 360:14.0 386:2.0 405:2.0 424:4.0 427:15.0 428:1.0 443:162.0 444:56.0 445:24.0 446:12.0 5325915 C02341 SGMJBNSHAZVGMC-PWNYCUMCSA-N erythritol 471922 217 92 86:57.0 87:443.0 89:682.0 90:92.0 99:480.0 100:41.0 101:1823.0 103:7046.0 104:676.0 105:300.0 106:59.0 109:27.0 111:45.0 113:474.0 115:473.0 116:1861.0 117:6123.0 118:476.0 119:295.0 127:453.0 129:1559.0 130:129.0 131:448.0 133:1902.0 134:216.0 144:53.0 147:9776.0 148:785.0 149:656.0 158:25.0 159:8.0 163:98.0 169:60.0 174:40.0 175:153.0 176:58.0 177:60.0 183:21.0 189:1255.0 190:194.0 191:893.0 196:28.0 201:50.0 203:23.0 204:946.0 205:2257.0 206:173.0 207:79.0 211:25.0 215:36.0 216:20.0 217:3970.0 218:660.0 219:26.0 221:210.0 222:60.0 223:40.0 225:43.0 233:20.0 236:23.0 240:21.0 241:23.0 246:27.0 249:14.0 250:11.0 251:21.0 260:23.0 261:25.0 278:10.0 280:8.0 293:87.0 294:30.0 296:10.0 305:36.0 307:98.0 322:9.0 343:16.0 428:13.0 463:30.0 475:13.0 488:21.0 222285 C00503 UNXHWFMMPAWVPI-ZXZARUISSA-N dihydrocholesterol 1082070 215 42937 85:915.0 86:94.0 87:34.0 89:485.0 91:4176.0 92:787.0 93:4869.0 94:1228.0 95:5414.0 96:299.0 97:914.0 98:121.0 99:603.0 100:190.0 101:817.0 103:357.0 104:284.0 105:3131.0 106:3045.0 107:4872.0 108:1660.0 109:2455.0 110:512.0 111:1052.0 112:39.0 113:254.0 115:321.0 116:86.0 117:909.0 118:257.0 119:2448.0 120:1216.0 121:2904.0 122:777.0 123:1040.0 124:179.0 125:446.0 128:124.0 129:1634.0 130:938.0 131:1705.0 132:154.0 133:1616.0 134:708.0 135:1659.0 136:493.0 137:319.0 138:409.0 139:126.0 141:95.0 142:1017.0 143:354.0 145:1900.0 146:599.0 147:3576.0 148:758.0 149:596.0 150:80.0 151:144.0 152:206.0 153:137.0 155:1281.0 156:236.0 157:222.0 159:1136.0 160:696.0 161:1256.0 162:346.0 163:185.0 165:289.0 166:92.0 167:70.0 168:10.0 169:216.0 171:145.0 173:651.0 174:150.0 175:574.0 176:116.0 177:293.0 179:440.0 180:87.0 181:299.0 182:87.0 183:170.0 184:110.0 186:20.0 187:318.0 188:82.0 189:301.0 190:92.0 191:229.0 192:75.0 193:1038.0 194:336.0 195:149.0 196:297.0 197:208.0 198:5.0 199:28.0 201:828.0 202:203.0 203:314.0 204:59.0 205:13.0 206:90.0 207:2300.0 208:483.0 209:296.0 210:143.0 211:421.0 212:13.0 213:58.0 214:39.0 215:3526.0 216:2044.0 217:991.0 218:148.0 219:96.0 221:302.0 222:32.0 223:118.0 224:82.0 225:9.0 226:85.0 227:1078.0 228:118.0 229:214.0 230:540.0 231:222.0 233:60.0 234:12.0 235:113.0 237:321.0 238:7.0 241:18.0 243:615.0 244:45.0 245:119.0 247:98.0 249:174.0 250:100.0 251:84.0 252:21.0 253:93.0 255:63.0 256:66.0 257:183.0 258:6.0 261:4.0 262:210.0 263:158.0 264:74.0 265:240.0 267:184.0 268:68.0 271:3.0 275:88.0 276:1.0 280:14.0 281:361.0 282:194.0 283:206.0 284:22.0 285:163.0 286:56.0 287:14.0 288:23.0 291:26.0 296:13.0 298:119.0 299:641.0 300:275.0 301:204.0 302:17.0 305:486.0 306:527.0 307:135.0 308:11.0 309:94.0 310:46.0 312:28.0 313:28.0 314:44.0 315:191.0 316:55.0 317:55.0 319:13.0 320:57.0 325:95.0 327:175.0 328:235.0 329:275.0 330:26.0 331:30.0 332:1.0 339:9.0 340:19.0 341:549.0 342:182.0 345:9.0 353:54.0 355:1023.0 356:80.0 357:18.0 359:34.0 361:2.0 367:32.0 369:191.0 370:353.0 371:185.0 373:118.0 374:2.0 375:8.0 384:7.0 385:13.0 387:45.0 389:32.0 399:19.0 400:5.0 401:31.0 402:182.0 403:273.0 404:137.0 405:11.0 410:4.0 413:37.0 415:168.0 416:116.0 417:64.0 429:17.0 430:85.0 434:21.0 443:18.0 444:42.0 445:521.0 446:298.0 447:17.0 448:16.0 453:22.0 456:4.0 459:18.0 460:402.0 461:375.0 462:16.0 463:29.0 468:12.0 475:134.0 476:78.0 477:61.0 478:9.0 488:8.0 489:69.0 490:124.0 491:67.0 492:33.0 493:3.0 66066 C12978 QYIXCDOBOSTCEI-FBVYSKEZSA-N digalacturonic acid 980132 169 102845 85:2056.0 86:960.0 87:1666.0 88:817.0 89:10554.0 90:849.0 91:761.0 92:358.0 93:733.0 94:318.0 95:1065.0 96:1003.0 97:620.0 98:439.0 99:2181.0 100:2220.0 101:4245.0 102:3597.0 103:10746.0 104:1313.0 105:4236.0 106:368.0 107:335.0 108:96.0 109:225.0 110:226.0 111:990.0 112:366.0 113:1400.0 114:1494.0 115:3537.0 116:2670.0 117:6646.0 118:818.0 119:1770.0 120:244.0 121:416.0 122:219.0 123:428.0 124:161.0 125:364.0 126:454.0 127:1420.0 128:839.0 129:14760.0 130:3518.0 131:6449.0 132:1195.0 133:13842.0 134:1645.0 135:2068.0 136:364.0 137:120.0 138:165.0 139:248.0 140:267.0 141:1400.0 142:1061.0 143:19342.0 144:2206.0 145:2611.0 146:443.0 147:65152.0 148:10628.0 149:8125.0 150:1023.0 151:611.0 152:360.0 153:559.0 154:273.0 155:943.0 156:613.0 157:2321.0 158:805.0 159:912.0 160:7234.0 161:2258.0 162:477.0 163:2511.0 164:453.0 165:502.0 166:143.0 167:306.0 168:523.0 169:29561.0 170:3981.0 171:6047.0 172:792.0 173:1148.0 174:475.0 175:1141.0 176:252.0 177:988.0 178:263.0 179:557.0 180:255.0 181:127.0 182:293.0 183:640.0 184:215.0 185:802.0 186:453.0 187:459.0 188:243.0 189:6101.0 190:1600.0 191:15951.0 192:3004.0 193:1943.0 194:405.0 195:392.0 196:166.0 197:355.0 198:364.0 199:216.0 200:211.0 201:677.0 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367:82.0 371:20.0 374:8.0 376:135.0 377:36.0 378:709.0 380:275.0 381:127.0 382:133.0 383:121.0 385:82.0 387:61.0 390:416.0 391:161.0 392:123.0 393:237.0 394:95.0 395:16.0 397:99.0 400:2.0 403:8.0 404:4.0 405:114.0 406:431.0 407:248.0 408:53.0 411:55.0 412:37.0 413:61.0 414:142.0 416:12.0 418:32.0 419:10.0 421:25.0 422:110.0 423:387.0 424:7.0 425:22.0 426:92.0 430:24.0 432:172.0 434:127.0 437:21.0 440:32.0 441:24.0 442:39.0 444:24.0 445:52.0 448:138.0 450:11.0 455:74.0 458:55.0 460:31.0 462:24.0 463:111.0 466:19.0 468:74.0 470:69.0 471:57.0 478:46.0 480:197.0 482:69.0 483:164.0 486:5.0 490:57.0 497:13.0 499:4.0 440667 C05422 SBJKKFFYIZUCET-JLAZNSOCSA-N dehydroabietic acid 849349 239 251689 89:164.0 90:34.0 91:540.0 92:108.0 94:63.0 95:114.0 99:79.0 102:99.0 104:58.0 105:164.0 108:49.0 109:70.0 112:64.0 113:43.0 115:485.0 116:162.0 117:718.0 118:120.0 119:149.0 120:47.0 121:150.0 122:54.0 123:34.0 125:44.0 126:59.0 128:505.0 129:511.0 130:104.0 131:603.0 132:121.0 133:155.0 135:67.0 136:24.0 138:32.0 139:56.0 141:574.0 142:227.0 143:664.0 145:122.0 146:115.0 150:44.0 152:150.0 153:239.0 154:183.0 155:347.0 156:202.0 157:239.0 159:283.0 164:43.0 165:189.0 166:92.0 167:177.0 168:115.0 169:166.0 170:106.0 171:314.0 172:70.0 173:550.0 174:94.0 178:85.0 179:74.0 180:42.0 181:128.0 182:61.0 183:125.0 184:70.0 185:220.0 186:136.0 187:24.0 189:26.0 194:40.0 195:73.0 196:52.0 197:203.0 198:54.0 199:101.0 200:31.0 206:33.0 209:63.0 210:49.0 211:75.0 213:46.0 217:28.0 222:32.0 223:98.0 224:36.0 225:100.0 228:36.0 229:61.0 231:19.0 233:56.0 234:45.0 235:30.0 236:26.0 237:43.0 238:58.0 239:3789.0 240:687.0 241:67.0 250:154.0 251:43.0 254:56.0 255:204.0 256:73.0 257:34.0 260:37.0 266:34.0 267:37.0 278:23.0 280:25.0 281:40.0 284:20.0 286:30.0 287:27.0 296:15.0 302:18.0 303:32.0 306:17.0 307:14.0 320:16.0 323:26.0 328:21.0 332:35.0 335:23.0 338:23.0 342:30.0 344:43.0 345:30.0 349:23.0 351:22.0 357:180.0 358:113.0 359:33.0 361:30.0 369:48.0 372:102.0 373:82.0 375:35.0 376:18.0 385:27.0 386:19.0 391:19.0 392:27.0 416:32.0 419:36.0 432:16.0 434:23.0 438:25.0 442:22.0 446:26.0 447:27.0 464:52.0 479:23.0 482:31.0 487:21.0 491:24.0 496:18.0 499:20.0 500:27.0 94391 C12078 NFWKVWVWBFBAOV-MISYRCLQSA-N cysteine 500158 220 65 86:175.0 90:83.0 91:341.0 97:81.0 98:68.0 100:3118.0 101:289.0 102:126.0 103:157.0 104:40.0 106:71.0 111:61.0 112:46.0 113:48.0 115:193.0 116:681.0 117:121.0 119:107.0 120:61.0 130:238.0 132:808.0 133:307.0 135:39.0 146:182.0 147:1274.0 149:187.0 163:84.0 172:22.0 204:108.0 217:15.0 218:2544.0 219:362.0 220:2803.0 221:383.0 222:297.0 223:28.0 231:29.0 232:38.0 262:21.0 287:23.0 301:27.0 304:25.0 312:12.0 322:14.0 325:41.0 330:18.0 336:30.0 348:15.0 365:12.0 377:21.0 394:15.0 399:20.0 404:21.0 406:19.0 409:25.0 439:20.0 449:26.0 465:33.0 480:25.0 495:26.0 499:25.0 5862 C00097 XUJNEKJLAYXESH-REOHCLBHSA-N creatinine 502599 115 31 85:370.0 88:85.0 89:36.0 93:61.0 98:181.0 99:1414.0 100:9158.0 101:1232.0 103:128.0 108:34.0 111:15.0 113:594.0 114:567.0 115:27718.0 116:1868.0 118:47.0 124:34.0 130:931.0 134:91.0 135:38.0 136:59.0 139:101.0 142:85.0 143:10910.0 144:1070.0 147:1641.0 155:268.0 158:453.0 159:92.0 160:80.0 161:20.0 162:30.0 165:17.0 167:15.0 169:18.0 170:66.0 171:2993.0 172:140.0 173:285.0 174:113.0 175:26.0 176:37.0 177:19.0 178:18.0 179:22.0 181:27.0 183:40.0 185:83.0 186:60.0 187:655.0 188:221.0 189:99.0 190:40.0 191:21.0 194:26.0 197:24.0 199:144.0 202:39.0 203:34.0 205:8.0 206:46.0 210:37.0 211:18.0 212:28.0 213:79.0 215:275.0 216:120.0 217:64.0 218:14.0 219:27.0 220:29.0 225:28.0 226:126.0 227:75.0 229:62.0 231:19.0 233:24.0 237:17.0 240:68.0 247:20.0 255:22.0 256:36.0 257:61.0 258:27.0 259:23.0 262:21.0 263:18.0 277:28.0 285:23.0 290:27.0 293:19.0 294:26.0 297:13.0 303:15.0 309:16.0 312:25.0 313:34.0 314:787.0 315:277.0 316:131.0 317:12.0 319:17.0 321:17.0 326:22.0 327:21.0 329:1086.0 331:136.0 335:20.0 341:24.0 345:30.0 347:25.0 348:15.0 349:24.0 350:29.0 353:14.0 357:22.0 368:22.0 373:28.0 375:18.0 378:22.0 392:21.0 394:13.0 401:11.0 403:27.0 405:25.0 431:14.0 455:21.0 461:17.0 470:23.0 475:26.0 476:26.0 478:23.0 479:28.0 484:27.0 487:17.0 490:31.0 496:20.0 497:24.0 588 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N conduritol-beta-epoxide 675635 318 2670 85:36.0 86:264.0 87:119.0 89:71.0 90:3.0 96:4.0 97:45.0 100:25.0 101:25.0 102:89.0 103:1499.0 104:98.0 106:19.0 108:25.0 110:52.0 111:13.0 113:96.0 114:7.0 115:120.0 116:89.0 117:65.0 120:22.0 121:16.0 122:20.0 125:21.0 126:64.0 127:5.0 128:52.0 129:2124.0 130:118.0 131:398.0 132:68.0 133:1415.0 139:13.0 140:24.0 141:13.0 142:4.0 143:397.0 144:106.0 146:101.0 147:5675.0 148:698.0 149:369.0 150:2.0 153:7.0 154:265.0 159:257.0 160:21.0 161:150.0 162:2.0 164:1.0 167:6.0 169:31.0 171:69.0 172:1.0 174:7.0 176:19.0 177:98.0 178:19.0 179:437.0 180:61.0 182:17.0 184:26.0 185:24.0 187:24.0 189:113.0 190:146.0 191:2677.0 192:388.0 193:165.0 197:141.0 198:1.0 199:61.0 200:33.0 202:8.0 204:806.0 205:402.0 206:111.0 208:1.0 211:9.0 213:15.0 215:50.0 217:4038.0 218:487.0 219:244.0 220:186.0 221:455.0 222:43.0 223:2.0 227:30.0 228:8.0 229:11.0 230:77.0 233:165.0 234:14.0 237:7.0 239:75.0 240:3.0 241:257.0 242:41.0 243:116.0 244:58.0 247:15.0 253:22.0 255:23.0 256:8.0 257:681.0 258:125.0 260:77.0 261:37.0 265:1048.0 266:188.0 267:197.0 268:72.0 270:11.0 271:17.0 272:24.0 274:15.0 277:1.0 278:4.0 279:26.0 282:19.0 283:9.0 286:27.0 288:14.0 289:59.0 291:247.0 292:34.0 293:78.0 295:12.0 298:26.0 300:18.0 301:16.0 304:10.0 305:2404.0 306:625.0 307:293.0 308:31.0 309:5.0 314:34.0 315:109.0 316:16.0 317:40.0 318:2741.0 319:988.0 320:374.0 321:61.0 322:23.0 325:33.0 326:28.0 331:512.0 332:127.0 333:7.0 335:28.0 336:3.0 341:13.0 342:7.0 344:8.0 349:4.0 354:11.0 357:13.0 361:27.0 367:139.0 368:148.0 369:104.0 370:3.0 371:6.0 384:1.0 386:6.0 390:6.0 393:38.0 394:13.0 395:12.0 396:1.0 403:5.0 407:3.0 413:5.0 419:109.0 424:33.0 432:119.0 433:160.0 434:80.0 435:23.0 443:18.0 452:4.0 455:13.0 460:2.0 467:7.0 472:1.0 479:9.0 485:3.0 491:1.0 492:5.0 497:17.0 9989541 ZHMWOVGZCINIHW-SPHYCDKFSA-N citrulline 621404 157 1712 85:138.0 86:318.0 89:143.0 90:82.0 91:114.0 92:81.0 95:62.0 97:103.0 98:473.0 99:700.0 100:1254.0 101:216.0 102:109.0 103:52.0 104:50.0 107:195.0 108:36.0 109:94.0 110:101.0 111:43.0 113:64.0 114:128.0 115:311.0 116:35.0 117:38.0 118:54.0 120:48.0 122:24.0 124:39.0 126:87.0 127:262.0 128:173.0 129:140.0 130:668.0 132:139.0 133:229.0 134:91.0 138:26.0 140:306.0 141:1077.0 142:2134.0 143:284.0 144:260.0 146:40.0 148:41.0 154:101.0 155:180.0 156:166.0 157:5040.0 158:728.0 159:259.0 160:31.0 161:5.0 166:124.0 168:45.0 169:63.0 170:68.0 171:389.0 172:369.0 173:104.0 178:23.0 183:59.0 185:5.0 187:198.0 188:55.0 193:561.0 199:41.0 205:66.0 208:143.0 215:8.0 216:163.0 218:204.0 220:99.0 231:23.0 240:17.0 241:1.0 244:154.0 245:45.0 250:177.0 254:65.0 255:17.0 256:1415.0 257:323.0 258:102.0 264:8.0 270:294.0 271:29.0 273:80.0 280:53.0 305:1.0 311:24.0 313:15.0 320:6.0 332:11.0 347:3.0 352:9.0 354:17.0 358:25.0 372:15.0 375:16.0 387:43.0 401:34.0 449:23.0 451:16.0 462:17.0 484:2.0 9750 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N citric acid 617342 273 288 85:108.0 87:167.0 88:92.0 89:136.0 92:58.0 93:86.0 95:193.0 96:108.0 97:78.0 99:605.0 100:143.0 101:223.0 102:92.0 103:336.0 104:70.0 105:58.0 109:24.0 110:55.0 111:256.0 112:15.0 114:87.0 115:639.0 116:312.0 117:522.0 118:105.0 119:62.0 120:32.0 124:17.0 125:53.0 126:49.0 127:177.0 128:22.0 129:915.0 131:952.0 132:92.0 133:1929.0 134:60.0 135:258.0 136:35.0 137:44.0 139:90.0 140:83.0 141:331.0 142:86.0 143:477.0 144:77.0 145:76.0 146:47.0 147:10067.0 148:1778.0 149:1131.0 150:225.0 151:7.0 152:37.0 153:16.0 155:64.0 156:38.0 157:237.0 158:61.0 159:72.0 160:57.0 161:96.0 162:22.0 163:183.0 164:27.0 165:59.0 166:35.0 167:23.0 168:16.0 169:129.0 170:11.0 171:168.0 172:64.0 173:128.0 174:50.0 175:66.0 177:28.0 178:42.0 179:36.0 182:29.0 183:1284.0 184:180.0 185:362.0 186:68.0 187:31.0 188:26.0 189:120.0 190:135.0 191:107.0 192:45.0 193:28.0 195:34.0 196:25.0 197:16.0 198:22.0 199:13.0 200:24.0 201:86.0 202:21.0 204:64.0 205:91.0 207:168.0 210:13.0 211:1318.0 212:188.0 213:146.0 215:221.0 217:281.0 218:68.0 221:479.0 222:99.0 223:38.0 227:35.0 228:49.0 229:92.0 230:87.0 231:131.0 233:43.0 234:40.0 237:17.0 240:19.0 242:17.0 243:20.0 245:53.0 246:24.0 247:19.0 249:25.0 250:23.0 253:19.0 256:18.0 257:581.0 259:94.0 260:49.0 262:16.0 267:28.0 268:44.0 269:27.0 271:44.0 272:64.0 273:4585.0 274:923.0 275:418.0 276:93.0 277:45.0 278:30.0 279:22.0 283:37.0 285:183.0 287:95.0 289:27.0 290:23.0 292:21.0 298:25.0 300:27.0 301:92.0 302:68.0 303:84.0 304:55.0 305:240.0 306:21.0 307:23.0 308:16.0 312:30.0 320:6.0 322:31.0 325:26.0 326:12.0 329:18.0 330:24.0 331:44.0 332:21.0 335:42.0 337:12.0 343:20.0 346:38.0 347:722.0 348:178.0 349:50.0 350:35.0 355:20.0 356:13.0 358:12.0 363:419.0 364:156.0 365:44.0 367:29.0 370:19.0 374:37.0 375:555.0 376:155.0 379:17.0 396:37.0 400:33.0 407:23.0 420:20.0 423:23.0 429:17.0 437:28.0 439:31.0 448:42.0 449:41.0 450:16.0 452:31.0 455:26.0 456:19.0 457:27.0 459:32.0 461:28.0 462:28.0 464:32.0 465:80.0 467:9.0 469:42.0 472:23.0 473:25.0 474:23.0 476:34.0 477:20.0 482:28.0 486:35.0 488:28.0 491:30.0 492:25.0 499:16.0 500:39.0 311 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N cis-gondoic acid 847372 367 87783 85:2318.0 89:1537.0 91:1953.0 92:494.0 93:1867.0 94:1814.0 95:6984.0 96:10449.0 97:6552.0 98:6703.0 99:1435.0 105:1710.0 106:308.0 107:1454.0 108:883.0 109:3479.0 110:3575.0 111:2492.0 112:1073.0 113:314.0 117:29549.0 118:2998.0 119:2252.0 120:341.0 121:1361.0 122:447.0 123:2047.0 124:1355.0 125:876.0 126:132.0 127:401.0 129:20607.0 130:2301.0 131:4009.0 132:4647.0 133:2381.0 134:1003.0 135:968.0 136:299.0 137:1325.0 138:918.0 139:275.0 141:83.0 143:1184.0 145:8092.0 146:1106.0 148:607.0 149:268.0 150:186.0 151:630.0 152:1111.0 153:196.0 155:781.0 157:471.0 158:255.0 159:361.0 161:88.0 162:77.0 163:127.0 165:288.0 166:392.0 169:344.0 170:193.0 171:700.0 172:252.0 173:202.0 175:109.0 177:59.0 183:357.0 185:1515.0 187:288.0 188:93.0 190:49.0 192:254.0 194:247.0 199:1939.0 200:227.0 201:471.0 203:89.0 207:177.0 208:726.0 209:163.0 211:222.0 213:241.0 216:107.0 219:53.0 222:154.0 227:241.0 229:175.0 230:11.0 231:110.0 233:292.0 234:282.0 235:145.0 237:122.0 241:230.0 242:85.0 243:100.0 248:117.0 249:195.0 250:482.0 251:186.0 255:122.0 267:58.0 269:125.0 270:102.0 274:86.0 279:110.0 293:418.0 339:103.0 366:171.0 367:1977.0 368:900.0 369:232.0 370:85.0 382:176.0 385:84.0 387:97.0 433:80.0 437:63.0 448:77.0 464:249.0 465:77.0 467:59.0 476:38.0 491:74.0 5282768 C16526 BITHHVVYSMSWAG-KTKRTIGZSA-N cholesterone 1095940 456 170271 85:327.0 87:127.0 88:149.0 89:147.0 90:32.0 91:999.0 92:232.0 93:1255.0 94:239.0 95:1365.0 96:446.0 97:394.0 100:133.0 101:272.0 102:192.0 103:788.0 104:249.0 105:1577.0 107:529.0 109:492.0 111:57.0 113:98.0 115:355.0 116:46.0 117:539.0 118:279.0 119:1182.0 120:357.0 121:277.0 123:235.0 125:107.0 126:144.0 127:331.0 128:364.0 129:1423.0 130:312.0 131:933.0 132:449.0 133:557.0 136:138.0 137:119.0 142:204.0 143:866.0 144:106.0 145:784.0 146:265.0 147:1514.0 148:355.0 149:216.0 151:56.0 152:48.0 154:38.0 155:341.0 156:173.0 157:444.0 158:291.0 159:397.0 160:133.0 161:323.0 166:51.0 167:254.0 168:63.0 169:348.0 170:104.0 171:230.0 173:99.0 175:128.0 179:166.0 180:72.0 181:177.0 182:82.0 184:51.0 185:68.0 187:62.0 190:44.0 191:156.0 193:253.0 195:102.0 196:221.0 197:120.0 198:40.0 199:122.0 200:69.0 203:51.0 205:101.0 207:615.0 208:558.0 209:502.0 210:225.0 211:332.0 212:50.0 217:100.0 218:73.0 219:192.0 220:64.0 222:68.0 225:34.0 231:91.0 232:84.0 233:772.0 234:255.0 235:104.0 238:52.0 239:20.0 243:131.0 244:16.0 246:70.0 247:169.0 248:46.0 249:50.0 250:52.0 253:100.0 254:90.0 261:68.0 263:43.0 265:52.0 266:54.0 267:46.0 268:47.0 269:43.0 273:53.0 275:32.0 276:31.0 279:31.0 281:47.0 286:30.0 287:46.0 288:22.0 292:24.0 296:54.0 297:55.0 298:24.0 299:96.0 302:55.0 303:31.0 305:42.0 306:39.0 309:30.0 311:46.0 313:75.0 314:55.0 315:77.0 317:27.0 318:74.0 320:15.0 322:24.0 323:37.0 324:50.0 325:33.0 326:66.0 327:45.0 328:53.0 329:37.0 330:53.0 332:46.0 333:25.0 335:18.0 336:20.0 337:19.0 340:30.0 341:50.0 343:105.0 348:39.0 349:57.0 351:156.0 354:58.0 357:24.0 359:20.0 365:51.0 366:98.0 367:86.0 375:22.0 382:19.0 386:51.0 389:38.0 392:21.0 393:23.0 399:55.0 400:15.0 405:17.0 407:21.0 409:27.0 412:12.0 413:25.0 415:49.0 416:29.0 419:13.0 421:28.0 425:18.0 428:58.0 429:20.0 430:19.0 434:31.0 437:16.0 438:18.0 440:33.0 441:106.0 442:144.0 444:59.0 451:21.0 454:43.0 455:391.0 456:3179.0 457:2892.0 458:1241.0 459:179.0 460:121.0 461:49.0 462:17.0 484:14.0 487:11.0 493:15.0 498:27.0 91477 C00599 NYOXRYYXRWJDKP-GYKMGIIDSA-N cholesterol 1078536 129 19 85:3277.0 86:357.0 87:698.0 88:331.0 89:2173.0 90:402.0 91:29340.0 92:4360.0 93:20764.0 94:3772.0 95:27816.0 96:2369.0 97:5814.0 98:576.0 99:1514.0 100:67.0 101:2755.0 102:616.0 103:3141.0 104:1732.0 105:26895.0 106:4885.0 107:20090.0 108:3742.0 109:12657.0 110:1522.0 111:3689.0 112:263.0 113:906.0 114:11.0 115:5342.0 116:2555.0 117:9801.0 118:2755.0 119:20567.0 120:8989.0 121:16634.0 122:2141.0 123:4503.0 124:437.0 125:1170.0 127:1663.0 128:3577.0 129:54005.0 130:8829.0 131:13284.0 132:3825.0 133:11161.0 134:2718.0 135:6902.0 136:1043.0 137:1921.0 138:221.0 139:366.0 140:34.0 141:1736.0 142:1564.0 143:8660.0 144:2673.0 145:14947.0 146:3939.0 147:8061.0 148:1915.0 149:3985.0 150:610.0 151:1319.0 152:408.0 153:758.0 154:319.0 155:3169.0 156:1021.0 157:3810.0 158:1828.0 159:9076.0 160:5601.0 161:6795.0 162:1227.0 163:4384.0 164:458.0 165:1284.0 166:161.0 167:384.0 168:347.0 169:1185.0 170:423.0 171:2081.0 172:834.0 173:3703.0 174:1262.0 175:2235.0 176:439.0 177:1560.0 178:113.0 179:858.0 180:243.0 181:887.0 182:560.0 183:716.0 184:280.0 185:1819.0 186:590.0 187:1277.0 188:206.0 189:1339.0 190:309.0 191:332.0 192:162.0 193:955.0 194:180.0 195:202.0 196:482.0 197:729.0 198:263.0 199:1768.0 200:662.0 201:1515.0 202:242.0 203:1729.0 204:370.0 205:745.0 206:395.0 207:1056.0 208:276.0 209:107.0 210:110.0 211:254.0 212:189.0 213:3077.0 214:734.0 215:1368.0 216:439.0 217:1498.0 218:326.0 219:1206.0 220:313.0 221:23.0 224:30.0 225:87.0 226:79.0 227:502.0 228:534.0 229:661.0 230:170.0 231:364.0 232:115.0 233:900.0 234:177.0 235:204.0 236:85.0 237:55.0 238:52.0 239:177.0 240:60.0 241:339.0 242:144.0 243:210.0 244:59.0 245:572.0 246:461.0 247:2344.0 248:403.0 249:125.0 250:59.0 252:53.0 253:179.0 254:30.0 255:2800.0 256:601.0 257:163.0 258:64.0 259:538.0 260:243.0 261:199.0 263:32.0 264:23.0 265:65.0 273:274.0 274:225.0 275:639.0 276:187.0 281:145.0 282:75.0 283:120.0 284:36.0 285:63.0 286:82.0 287:170.0 288:74.0 289:90.0 290:43.0 291:75.0 292:49.0 293:15.0 296:49.0 297:104.0 298:74.0 299:129.0 300:98.0 301:381.0 302:72.0 303:115.0 306:40.0 309:24.0 310:40.0 311:54.0 313:138.0 314:139.0 315:97.0 316:21.0 317:63.0 325:87.0 326:283.0 327:494.0 328:1516.0 329:5692.0 330:1874.0 331:297.0 332:48.0 333:26.0 339:121.0 340:250.0 341:51.0 342:94.0 345:35.0 348:13.0 350:24.0 352:51.0 353:2296.0 354:1049.0 355:294.0 356:56.0 359:28.0 360:26.0 366:37.0 367:311.0 368:4398.0 369:2014.0 370:454.0 371:32.0 373:31.0 377:19.0 381:21.0 383:18.0 384:15.0 387:31.0 389:26.0 401:14.0 402:26.0 409:16.0 418:10.0 420:7.0 426:14.0 430:34.0 443:382.0 444:223.0 445:52.0 448:21.0 452:20.0 455:31.0 456:34.0 457:237.0 458:1008.0 459:866.0 460:253.0 461:82.0 462:32.0 484:18.0 486:19.0 5997 C00187 HVYWMOMLDIMFJA-DPAQBDIFSA-N cerotinic acid 1033286 145 17982 85:1295.0 86:158.0 88:1.0 89:242.0 91:67.0 93:95.0 95:1309.0 96:191.0 97:1943.0 98:1236.0 99:444.0 101:240.0 102:74.0 104:114.0 105:273.0 106:1.0 108:119.0 109:514.0 111:676.0 112:371.0 113:1.0 114:1.0 115:99.0 116:520.0 117:19706.0 118:1850.0 119:625.0 120:16.0 121:455.0 122:38.0 123:291.0 124:92.0 125:288.0 129:8151.0 130:948.0 131:2365.0 132:8532.0 133:1938.0 134:337.0 135:577.0 136:86.0 137:241.0 140:82.0 142:67.0 143:1023.0 144:297.0 145:7017.0 146:912.0 148:5.0 149:2.0 150:8.0 151:1.0 153:31.0 154:24.0 155:57.0 156:72.0 157:76.0 159:576.0 160:16.0 161:258.0 162:139.0 163:183.0 164:68.0 165:159.0 167:34.0 169:14.0 171:274.0 172:35.0 173:50.0 174:93.0 175:96.0 177:40.0 179:270.0 180:55.0 181:18.0 182:69.0 183:110.0 184:38.0 185:671.0 186:59.0 187:484.0 188:181.0 189:144.0 190:183.0 192:217.0 193:1193.0 194:444.0 195:330.0 196:168.0 197:169.0 199:48.0 201:1388.0 202:244.0 203:89.0 204:61.0 205:229.0 206:199.0 207:998.0 208:332.0 209:640.0 210:187.0 211:26.0 212:19.0 213:158.0 215:228.0 216:22.0 217:36.0 218:171.0 219:28.0 221:128.0 222:253.0 224:74.0 225:9.0 226:58.0 227:200.0 228:7.0 229:141.0 230:128.0 231:93.0 232:14.0 233:51.0 234:36.0 235:122.0 236:20.0 237:179.0 239:157.0 241:256.0 242:48.0 243:160.0 246:58.0 247:8.0 249:59.0 250:69.0 251:155.0 252:91.0 253:241.0 254:151.0 255:255.0 256:10.0 257:179.0 258:29.0 260:14.0 261:12.0 263:88.0 265:60.0 266:27.0 267:218.0 268:46.0 269:150.0 270:81.0 271:18.0 272:29.0 273:22.0 274:36.0 275:41.0 276:13.0 277:5.0 279:94.0 280:278.0 281:960.0 282:589.0 283:488.0 284:136.0 285:56.0 286:17.0 290:16.0 291:70.0 292:39.0 293:73.0 294:72.0 295:321.0 296:128.0 297:504.0 298:115.0 299:119.0 300:39.0 303:15.0 304:5.0 305:114.0 307:20.0 308:37.0 309:71.0 310:109.0 311:155.0 312:111.0 313:176.0 314:49.0 315:53.0 316:11.0 317:11.0 319:12.0 320:35.0 321:14.0 323:44.0 324:45.0 325:251.0 326:211.0 327:617.0 328:323.0 329:232.0 330:33.0 331:11.0 334:30.0 336:2.0 337:19.0 338:8.0 339:57.0 340:88.0 341:366.0 342:220.0 343:347.0 344:83.0 345:33.0 346:21.0 347:71.0 348:30.0 352:8.0 354:17.0 355:287.0 356:205.0 358:58.0 359:25.0 360:6.0 363:3.0 364:1.0 365:26.0 367:55.0 368:34.0 369:113.0 370:43.0 372:7.0 373:14.0 374:3.0 375:60.0 377:24.0 378:1.0 383:124.0 384:26.0 385:141.0 386:33.0 387:173.0 388:74.0 389:74.0 392:20.0 394:9.0 396:39.0 397:32.0 398:18.0 399:140.0 400:100.0 401:136.0 402:130.0 403:118.0 404:14.0 405:26.0 408:43.0 409:69.0 410:40.0 411:37.0 412:35.0 413:28.0 414:22.0 415:38.0 416:276.0 417:166.0 418:30.0 420:36.0 424:19.0 425:79.0 426:128.0 427:56.0 428:11.0 429:121.0 430:56.0 432:3.0 433:8.0 434:46.0 435:56.0 436:31.0 440:19.0 442:21.0 443:10.0 444:24.0 445:5.0 447:72.0 449:22.0 450:5.0 451:24.0 452:97.0 453:1044.0 454:717.0 455:209.0 456:63.0 459:28.0 460:67.0 461:91.0 462:74.0 463:75.0 465:19.0 468:310.0 469:256.0 470:147.0 471:32.0 472:14.0 473:12.0 474:53.0 475:185.0 476:155.0 477:135.0 478:85.0 480:1.0 481:15.0 482:15.0 486:31.0 489:299.0 490:128.0 491:114.0 492:9.0 493:24.0 499:6.0 10469 XMHIUKTWLZUKEX-UHFFFAOYSA-N caproic acid 224373 173 126391 87:22.0 88:53.0 99:32.0 103:2.0 105:13.0 108:4.0 109:2.0 110:10.0 111:25.0 112:6.0 115:2.0 116:183.0 117:1267.0 118:96.0 119:10.0 125:2.0 129:242.0 130:3.0 131:565.0 132:309.0 133:26.0 137:1.0 138:26.0 143:37.0 145:103.0 147:368.0 148:20.0 149:2.0 150:3.0 151:7.0 155:5.0 159:13.0 161:33.0 162:1.0 167:4.0 173:1234.0 174:148.0 175:49.0 177:53.0 178:11.0 179:10.0 180:2.0 185:1.0 187:1.0 188:1.0 190:28.0 199:1.0 204:7.0 205:11.0 210:6.0 211:4.0 214:2.0 217:2.0 221:2.0 226:3.0 228:3.0 232:1.0 235:1.0 237:1.0 238:8.0 239:3.0 240:2.0 241:4.0 247:3.0 249:1.0 253:10.0 257:7.0 258:2.0 259:2.0 268:10.0 269:4.0 273:1.0 276:6.0 277:2.0 283:3.0 285:3.0 295:1.0 297:1.0 299:8.0 300:14.0 303:3.0 305:5.0 311:6.0 312:8.0 318:7.0 320:6.0 324:6.0 332:2.0 339:3.0 340:1.0 343:3.0 346:6.0 348:7.0 351:1.0 356:1.0 361:1.0 363:3.0 366:1.0 367:2.0 368:5.0 372:5.0 375:3.0 376:1.0 381:3.0 393:2.0 394:6.0 395:2.0 397:1.0 398:2.0 399:9.0 400:6.0 403:2.0 405:5.0 408:1.0 409:11.0 415:1.0 416:1.0 417:2.0 423:1.0 425:2.0 437:13.0 438:6.0 441:1.0 447:1.0 448:12.0 449:3.0 451:3.0 456:1.0 467:4.0 481:8.0 482:2.0 485:4.0 486:1.0 487:2.0 489:3.0 490:4.0 492:1.0 493:2.0 495:7.0 496:4.0 500:2.0 8892 C01585 FUZZWVXGSFPDMH-UHFFFAOYSA-N campesterol 1105205 129 213180 85:1807.0 86:108.0 87:96.0 89:466.0 90:42.0 91:6310.0 92:939.0 93:4653.0 94:774.0 95:5896.0 96:455.0 97:1559.0 98:136.0 99:338.0 100:50.0 101:563.0 103:707.0 104:260.0 105:5314.0 106:920.0 107:4111.0 108:688.0 109:2300.0 110:281.0 111:626.0 113:136.0 115:935.0 116:346.0 117:1702.0 118:440.0 119:3825.0 120:1697.0 121:3224.0 122:427.0 123:824.0 124:111.0 125:280.0 126:46.0 127:171.0 128:447.0 129:11338.0 130:1730.0 131:2655.0 132:596.0 133:2228.0 134:480.0 135:1413.0 136:261.0 137:392.0 138:31.0 139:82.0 141:283.0 142:264.0 143:1608.0 144:498.0 145:2944.0 146:751.0 147:1822.0 148:491.0 149:903.0 150:88.0 151:231.0 152:47.0 153:112.0 154:84.0 155:595.0 156:184.0 157:604.0 158:325.0 159:1592.0 160:985.0 161:1242.0 162:190.0 163:836.0 164:78.0 165:198.0 167:53.0 169:173.0 171:400.0 172:183.0 173:789.0 174:191.0 175:418.0 176:69.0 177:304.0 179:120.0 182:93.0 183:128.0 185:271.0 187:123.0 189:264.0 191:114.0 195:33.0 196:69.0 197:95.0 198:24.0 199:228.0 201:233.0 202:37.0 203:292.0 205:32.0 207:342.0 208:76.0 211:43.0 213:505.0 214:118.0 215:251.0 217:160.0 218:85.0 219:91.0 220:61.0 227:118.0 228:86.0 231:47.0 232:28.0 233:143.0 239:26.0 241:80.0 243:33.0 245:33.0 247:101.0 253:23.0 255:535.0 256:125.0 257:32.0 259:166.0 260:78.0 261:307.0 262:38.0 273:78.0 283:52.0 287:36.0 288:40.0 289:57.0 290:49.0 291:21.0 315:24.0 316:28.0 341:172.0 342:215.0 343:953.0 344:436.0 355:86.0 356:31.0 366:28.0 367:304.0 368:222.0 381:71.0 382:756.0 383:533.0 384:147.0 456:30.0 457:43.0 471:61.0 472:216.0 473:257.0 474:85.0 173183 C01789 SGNBVLSWZMBQTH-PODYLUTMSA-N beta-sitosterol 1128225 129 3174 85:2766.0 86:101.0 87:57.0 89:458.0 91:5648.0 92:1009.0 93:4837.0 94:854.0 95:7005.0 96:398.0 97:1583.0 98:69.0 99:841.0 101:529.0 102:39.0 103:648.0 104:289.0 105:5798.0 106:1007.0 107:5082.0 108:945.0 109:3381.0 110:296.0 111:1228.0 112:109.0 113:310.0 114:25.0 115:1041.0 116:430.0 117:2402.0 118:725.0 119:4929.0 120:2342.0 121:4665.0 122:692.0 123:1370.0 124:121.0 125:512.0 127:195.0 128:627.0 129:14060.0 130:2151.0 131:3289.0 132:994.0 133:3024.0 134:689.0 135:1929.0 136:384.0 137:610.0 138:105.0 139:188.0 141:470.0 142:415.0 143:2336.0 144:809.0 145:4269.0 146:1037.0 147:1361.0 148:839.0 149:1042.0 150:139.0 151:321.0 152:124.0 153:214.0 154:36.0 155:954.0 156:291.0 157:1007.0 158:563.0 159:2523.0 160:1767.0 161:2070.0 162:578.0 163:1438.0 164:177.0 165:313.0 166:48.0 167:147.0 168:104.0 169:396.0 170:109.0 171:709.0 172:279.0 173:1495.0 174:462.0 175:723.0 176:207.0 177:528.0 178:79.0 179:232.0 180:31.0 181:286.0 182:167.0 183:217.0 185:453.0 186:181.0 187:373.0 188:113.0 189:478.0 190:114.0 191:187.0 192:111.0 193:179.0 194:144.0 195:142.0 196:185.0 197:283.0 198:62.0 199:563.0 200:169.0 201:433.0 202:74.0 203:579.0 204:45.0 205:144.0 207:648.0 208:411.0 209:152.0 210:116.0 211:49.0 212:20.0 213:827.0 214:290.0 215:499.0 216:106.0 217:483.0 218:82.0 219:62.0 220:15.0 221:203.0 222:32.0 224:24.0 225:86.0 227:232.0 228:125.0 229:229.0 230:60.0 231:186.0 232:15.0 233:53.0 234:55.0 235:129.0 239:46.0 240:45.0 241:145.0 242:15.0 243:27.0 245:178.0 246:26.0 247:187.0 248:88.0 249:55.0 250:55.0 251:39.0 252:8.0 253:90.0 254:49.0 255:885.0 256:154.0 257:59.0 258:30.0 259:139.0 260:21.0 261:152.0 262:36.0 263:35.0 265:58.0 266:20.0 267:40.0 269:12.0 270:8.0 271:6.0 272:1.0 273:90.0 274:93.0 275:356.0 276:51.0 277:27.0 278:20.0 281:142.0 282:33.0 283:121.0 284:51.0 287:37.0 288:37.0 289:50.0 291:26.0 295:26.0 297:27.0 299:61.0 301:15.0 302:67.0 303:65.0 304:32.0 305:16.0 309:15.0 313:13.0 314:27.0 315:22.0 316:6.0 318:25.0 320:5.0 321:3.0 323:30.0 327:48.0 328:17.0 329:81.0 330:21.0 332:10.0 336:1.0 337:21.0 339:5.0 340:18.0 341:8.0 342:27.0 344:26.0 345:12.0 347:10.0 350:15.0 352:1.0 354:78.0 355:150.0 356:348.0 357:1139.0 358:350.0 359:9.0 364:6.0 365:25.0 366:6.0 367:3.0 368:52.0 369:2.0 379:3.0 380:17.0 381:450.0 382:234.0 383:67.0 384:33.0 386:22.0 388:23.0 391:17.0 393:15.0 395:55.0 396:1119.0 397:519.0 398:108.0 399:9.0 404:21.0 409:21.0 411:18.0 416:40.0 418:27.0 423:21.0 429:17.0 432:23.0 434:5.0 437:2.0 439:23.0 440:12.0 441:19.0 444:21.0 447:8.0 453:2.0 457:16.0 458:30.0 470:10.0 471:99.0 472:88.0 474:6.0 476:17.0 478:18.0 480:6.0 481:6.0 485:33.0 486:298.0 487:263.0 488:96.0 490:18.0 493:1.0 495:11.0 222284 C01753 KZJWDPNRJALLNS-VJSFXXLFSA-N beta-glycerolphosphate 574470 243 22021 85:37.0 101:553.0 102:50.0 103:684.0 106:24.0 112:8.0 113:19.0 115:137.0 117:69.0 129:971.0 130:171.0 131:352.0 133:740.0 134:41.0 135:156.0 137:89.0 139:3.0 147:979.0 148:10.0 149:98.0 155:36.0 179:29.0 181:96.0 183:49.0 191:186.0 192:18.0 193:100.0 195:81.0 207:280.0 208:22.0 209:15.0 211:1590.0 212:184.0 213:144.0 217:86.0 218:77.0 225:19.0 227:200.0 228:29.0 234:34.0 243:1830.0 244:286.0 245:123.0 253:10.0 255:4.0 269:15.0 283:15.0 285:128.0 286:32.0 299:1137.0 300:307.0 301:149.0 302:2.0 315:191.0 316:52.0 317:16.0 321:4.0 342:30.0 357:6.0 373:62.0 374:2.0 389:79.0 390:28.0 445:57.0 446:11.0 447:5.0 471:3.0 2526 C02979 DHCLVCXQIBBOPH-UHFFFAOYSA-N beta-gentiobiose 974676 204 2869 85:44.0 89:323.0 90:45.0 97:66.0 100:143.0 101:357.0 102:11.0 103:1389.0 104:109.0 105:182.0 110:62.0 113:26.0 115:97.0 116:294.0 117:441.0 119:7.0 126:3.0 127:8.0 128:78.0 129:1394.0 131:462.0 133:305.0 135:120.0 139:40.0 140:34.0 141:46.0 142:4.0 143:242.0 144:126.0 145:53.0 147:941.0 148:198.0 149:93.0 155:142.0 157:186.0 158:93.0 160:512.0 161:351.0 162:45.0 163:74.0 169:617.0 170:35.0 171:47.0 172:13.0 173:50.0 177:12.0 185:4.0 189:321.0 190:22.0 191:1102.0 192:226.0 193:121.0 196:35.0 197:46.0 199:53.0 201:4.0 204:2261.0 205:586.0 206:176.0 207:38.0 208:49.0 209:58.0 210:66.0 214:8.0 215:28.0 216:39.0 217:1447.0 218:356.0 219:174.0 222:10.0 227:6.0 228:27.0 229:31.0 231:41.0 243:331.0 245:21.0 246:36.0 247:49.0 250:37.0 259:53.0 265:45.0 267:30.0 271:159.0 272:35.0 275:2.0 281:50.0 291:35.0 292:9.0 295:5.0 296:3.0 299:58.0 300:156.0 301:76.0 305:101.0 307:66.0 315:29.0 319:91.0 320:18.0 321:24.0 328:11.0 332:54.0 338:6.0 355:55.0 356:11.0 361:610.0 362:238.0 363:73.0 365:38.0 375:14.0 377:3.0 386:8.0 390:34.0 394:16.0 404:5.0 406:4.0 413:5.0 415:14.0 420:6.0 452:19.0 455:15.0 458:15.0 480:27.0 481:13.0 482:1.0 486:5.0 490:5.0 494:4.0 499:8.0 441422 C08240 DLRVVLDZNNYCBX-LIZSDCNHSA-N beta-alanine 435564 248 148 85:228.0 86:3117.0 87:240.0 90:32.0 93:32.0 95:19.0 99:386.0 100:1891.0 101:337.0 102:313.0 103:237.0 104:118.0 107:63.0 113:116.0 114:91.0 117:236.0 119:17.0 120:39.0 129:105.0 130:635.0 133:1533.0 134:301.0 135:92.0 137:24.0 142:51.0 146:224.0 147:2196.0 148:431.0 160:346.0 161:56.0 162:41.0 164:29.0 168:16.0 170:19.0 172:67.0 173:3.0 174:3380.0 175:583.0 176:292.0 181:27.0 187:19.0 188:94.0 189:42.0 199:15.0 202:47.0 203:21.0 211:16.0 213:22.0 214:43.0 229:20.0 232:136.0 236:20.0 241:13.0 247:23.0 248:2136.0 249:543.0 250:246.0 251:76.0 258:17.0 265:23.0 275:23.0 276:29.0 277:36.0 279:16.0 283:18.0 289:40.0 290:263.0 291:86.0 292:32.0 297:15.0 298:13.0 301:35.0 305:16.0 306:25.0 315:7.0 323:19.0 330:21.0 333:18.0 334:20.0 335:16.0 341:16.0 346:20.0 357:35.0 366:27.0 371:15.0 390:21.0 403:18.0 406:21.0 408:12.0 421:22.0 427:25.0 442:16.0 450:29.0 458:21.0 460:14.0 464:27.0 466:21.0 475:17.0 476:24.0 480:16.0 486:22.0 488:15.0 491:19.0 492:12.0 495:22.0 499:29.0 239 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N benzoic acid 339954 179 209671 91:246.0 92:101.0 93:171.0 95:68.0 97:61.0 104:71.0 105:20772.0 106:1553.0 107:275.0 110:102.0 118:74.0 119:213.0 121:280.0 122:98.0 135:12922.0 136:1718.0 137:461.0 178:71.0 179:14739.0 180:2023.0 181:628.0 193:251.0 194:871.0 195:121.0 196:35.0 323:21.0 20144841 C00180 WPYMKLBDIGXBTP-UHFFFAOYSA-N behenic acid 919293 117 382585 85:11890.0 86:2544.0 87:2201.0 88:1513.0 89:7696.0 90:1046.0 91:2233.0 92:441.0 93:5573.0 94:900.0 95:14418.0 96:3012.0 97:16137.0 98:12358.0 99:6110.0 100:991.0 101:4097.0 102:1076.0 103:5732.0 104:438.0 105:4818.0 106:563.0 107:2851.0 108:452.0 109:4899.0 110:854.0 111:8062.0 112:2863.0 113:1469.0 114:413.0 115:2419.0 116:11506.0 117:208933.0 118:19530.0 119:8601.0 120:435.0 121:2720.0 122:370.0 123:1681.0 124:625.0 125:2226.0 126:516.0 127:1046.0 128:812.0 129:95655.0 130:13207.0 131:27861.0 132:83086.0 133:22059.0 134:4661.0 135:2525.0 136:372.0 137:320.0 138:221.0 139:961.0 140:494.0 141:732.0 142:508.0 143:8906.0 144:1020.0 145:60100.0 146:7919.0 147:5159.0 148:469.0 149:1944.0 150:215.0 151:360.0 152:109.0 153:634.0 154:908.0 155:574.0 157:1553.0 158:165.0 159:4862.0 160:899.0 161:38.0 162:111.0 163:598.0 165:55.0 167:474.0 168:352.0 171:4036.0 172:634.0 173:1204.0 174:727.0 175:216.0 177:134.0 178:56.0 181:214.0 182:228.0 185:6464.0 186:939.0 187:4128.0 188:1596.0 190:107.0 193:183.0 195:234.0 196:174.0 197:124.0 198:25.0 199:1253.0 200:105.0 201:10890.0 202:1980.0 203:1294.0 204:102.0 205:979.0 207:299.0 209:252.0 210:111.0 211:134.0 212:52.0 213:917.0 214:261.0 215:896.0 219:499.0 220:167.0 221:84.0 222:87.0 223:210.0 224:24.0 225:76.0 227:1332.0 228:357.0 229:413.0 230:302.0 233:151.0 237:165.0 238:143.0 239:131.0 240:65.0 241:1191.0 242:331.0 243:1296.0 244:463.0 245:184.0 246:26.0 247:181.0 249:35.0 250:133.0 251:128.0 252:60.0 253:170.0 255:1008.0 256:269.0 257:1700.0 258:473.0 261:43.0 262:76.0 263:51.0 264:81.0 266:107.0 267:116.0 268:45.0 269:559.0 270:179.0 271:413.0 272:244.0 273:275.0 275:79.0 276:55.0 278:71.0 279:265.0 280:128.0 282:80.0 283:670.0 284:313.0 285:408.0 286:116.0 288:44.0 289:40.0 290:53.0 291:48.0 292:62.0 293:108.0 294:84.0 295:43.0 296:101.0 297:628.0 298:246.0 299:486.0 300:265.0 301:117.0 303:59.0 304:76.0 306:38.0 307:179.0 309:37.0 310:32.0 311:343.0 312:209.0 313:881.0 314:353.0 315:171.0 316:63.0 317:32.0 318:52.0 319:91.0 320:11.0 321:19.0 322:147.0 323:116.0 324:37.0 325:163.0 326:185.0 327:394.0 328:246.0 329:97.0 330:92.0 332:41.0 333:43.0 334:47.0 335:57.0 336:45.0 337:66.0 338:85.0 339:112.0 341:307.0 342:139.0 343:96.0 344:70.0 345:58.0 346:47.0 347:60.0 348:38.0 349:56.0 350:52.0 351:65.0 352:77.0 353:1123.0 354:859.0 355:563.0 356:249.0 357:94.0 358:55.0 360:40.0 362:125.0 364:63.0 365:40.0 366:46.0 367:225.0 368:36.0 369:1253.0 370:888.0 371:164.0 372:111.0 373:19.0 374:71.0 375:51.0 376:15.0 377:59.0 378:29.0 379:49.0 380:46.0 381:104.0 382:100.0 383:181.0 384:200.0 385:418.0 386:173.0 387:86.0 389:22.0 390:31.0 391:27.0 392:32.0 393:30.0 394:45.0 395:84.0 396:1344.0 397:14499.0 398:9477.0 399:2694.0 400:616.0 401:38.0 402:56.0 403:40.0 404:65.0 406:23.0 407:43.0 408:27.0 410:38.0 411:279.0 412:3022.0 413:2368.0 414:747.0 415:154.0 416:30.0 417:32.0 418:19.0 419:8.0 420:23.0 421:32.0 422:7.0 423:12.0 424:47.0 425:46.0 426:40.0 427:26.0 428:14.0 429:63.0 431:38.0 432:53.0 434:41.0 435:51.0 436:24.0 437:23.0 440:29.0 441:30.0 444:15.0 447:42.0 448:13.0 449:37.0 450:37.0 452:29.0 453:35.0 454:46.0 456:37.0 457:28.0 458:34.0 462:13.0 463:28.0 464:34.0 466:44.0 467:21.0 468:20.0 469:42.0 471:5.0 472:39.0 473:27.0 474:33.0 476:50.0 478:35.0 479:26.0 484:13.0 485:19.0 487:23.0 489:33.0 493:26.0 494:34.0 496:21.0 497:38.0 498:31.0 499:36.0 500:25.0 8215 C08281 UKMSUNONTOPOIO-UHFFFAOYSA-N azelaic acid 610551 317 329430 85:4024.0 86:2227.0 87:401.0 88:1079.0 91:2867.0 92:570.0 93:4066.0 95:1934.0 96:1467.0 97:5855.0 98:622.0 99:2736.0 100:1110.0 101:2248.0 102:958.0 103:2192.0 107:1747.0 109:3699.0 110:597.0 111:502.0 115:1692.0 116:8089.0 117:17525.0 118:1600.0 119:528.0 121:182.0 123:1047.0 124:1220.0 125:894.0 127:1231.0 129:16201.0 130:2038.0 131:3372.0 133:6408.0 135:1140.0 136:356.0 142:187.0 143:2329.0 144:460.0 147:21999.0 148:3722.0 149:20005.0 150:809.0 151:3339.0 152:10955.0 153:3286.0 154:83.0 155:939.0 156:481.0 159:467.0 163:66.0 167:254.0 168:68.0 170:272.0 171:2776.0 173:447.0 180:74.0 182:116.0 183:2401.0 184:698.0 185:885.0 186:726.0 188:255.0 189:1334.0 190:165.0 192:222.0 197:35.0 199:567.0 201:5050.0 202:1397.0 203:306.0 204:5601.0 205:1549.0 206:517.0 209:402.0 210:249.0 211:143.0 214:1418.0 215:414.0 216:154.0 217:1494.0 218:499.0 219:458.0 231:16.0 243:318.0 245:91.0 259:117.0 260:67.0 261:74.0 266:40.0 269:42.0 273:311.0 274:362.0 283:60.0 311:40.0 316:297.0 317:5917.0 318:2102.0 319:1204.0 332:31.0 333:53.0 342:103.0 383:42.0 391:29.0 402:40.0 426:42.0 19347555 C08261 BDJRBEYXGGNYIS-UHFFFAOYSA-N aspartic acid 432544 160 360153 85:5334.0 86:16884.0 87:9025.0 88:8023.0 89:7397.0 90:1475.0 91:4174.0 92:680.0 94:75.0 96:664.0 97:569.0 98:6814.0 99:8426.0 100:66510.0 101:14150.0 102:32295.0 103:16868.0 105:3103.0 108:381.0 112:1704.0 113:1453.0 114:2703.0 115:7073.0 116:160980.0 117:214079.0 118:24604.0 119:11009.0 120:787.0 122:75.0 123:322.0 126:1785.0 128:15767.0 129:9946.0 130:242786.0 131:40246.0 132:15596.0 133:27506.0 134:3271.0 135:2088.0 140:438.0 142:1019.0 143:2050.0 144:36579.0 145:3683.0 146:19460.0 147:122323.0 148:20057.0 149:16186.0 150:1825.0 151:674.0 152:239.0 154:920.0 155:1188.0 156:64.0 157:751.0 158:2111.0 159:16272.0 160:353560.0 161:40985.0 162:16679.0 163:1914.0 164:27.0 169:84.0 170:107.0 172:9581.0 173:2387.0 174:6392.0 175:2118.0 176:3794.0 177:844.0 182:169.0 186:381.0 187:3066.0 188:1058.0 189:1713.0 190:3026.0 191:1632.0 192:592.0 194:218.0 199:33.0 200:412.0 201:807.0 202:13023.0 203:2608.0 204:3676.0 205:637.0 206:392.0 208:106.0 209:139.0 215:214.0 216:1515.0 217:824.0 218:2140.0 219:1878.0 220:10600.0 221:2942.0 222:929.0 223:227.0 230:182.0 231:481.0 232:581.0 233:844.0 234:23953.0 235:5164.0 236:2291.0 237:483.0 238:131.0 240:93.0 244:4516.0 245:30384.0 246:6858.0 247:3022.0 248:2325.0 249:536.0 250:252.0 252:36.0 253:135.0 256:555.0 259:34.0 260:131.0 261:208.0 262:7605.0 263:1164.0 264:825.0 265:46.0 267:47.0 268:38.0 271:36.0 273:34.0 274:45.0 276:73.0 277:719.0 278:112.0 279:46.0 280:70.0 288:46.0 292:72.0 302:27.0 305:49.0 307:51.0 308:48.0 309:78.0 310:53.0 317:34.0 318:61.0 319:30.0 321:187.0 322:83.0 323:33.0 324:37.0 325:30.0 328:33.0 329:47.0 330:43.0 331:49.0 332:55.0 333:34.0 335:52.0 337:55.0 339:45.0 341:68.0 343:48.0 344:43.0 345:57.0 346:35.0 348:59.0 350:50.0 351:36.0 353:16.0 356:89.0 363:242.0 364:59.0 365:70.0 367:24.0 369:15.0 370:25.0 374:52.0 379:47.0 381:27.0 382:25.0 383:16.0 384:15.0 385:40.0 386:17.0 388:59.0 389:9.0 391:34.0 392:50.0 394:34.0 395:54.0 397:9.0 398:14.0 399:38.0 402:28.0 405:46.0 406:38.0 408:37.0 411:32.0 412:32.0 413:50.0 415:47.0 416:53.0 417:26.0 418:39.0 420:34.0 421:38.0 422:60.0 424:42.0 425:44.0 426:36.0 428:39.0 429:55.0 432:52.0 434:25.0 435:11.0 436:50.0 438:33.0 439:46.0 440:27.0 441:37.0 442:15.0 443:20.0 448:62.0 449:29.0 450:16.0 451:42.0 454:29.0 455:44.0 457:20.0 458:45.0 459:27.0 460:37.0 461:51.0 462:64.0 466:46.0 467:55.0 468:34.0 469:53.0 470:24.0 471:44.0 475:56.0 476:40.0 477:48.0 478:49.0 480:40.0 481:51.0 482:37.0 484:46.0 485:41.0 486:53.0 487:57.0 488:33.0 489:36.0 491:57.0 492:34.0 494:61.0 495:48.0 496:54.0 497:19.0 498:41.0 499:25.0 500:19.0 CKLJMWTZIZZHCS-REOHCLBHSA-N asparagine 553743 231 369588 85:5318.0 86:8685.0 87:4286.0 88:2645.0 89:20925.0 90:4572.0 91:1167.0 97:786.0 98:10621.0 99:4490.0 100:67427.0 101:13050.0 102:12363.0 103:140095.0 104:14184.0 105:14434.0 106:985.0 109:425.0 111:1873.0 112:1768.0 113:2060.0 114:17369.0 115:21135.0 116:183956.0 117:33418.0 118:14247.0 119:6078.0 120:784.0 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257:713.0 258:8958.0 259:3135.0 260:1043.0 261:517.0 262:1676.0 263:340.0 264:505.0 272:587.0 274:509.0 275:353.0 277:3651.0 278:1536.0 279:798.0 280:168.0 286:89.0 288:809.0 302:167.0 304:168.0 305:521.0 306:550.0 307:15673.0 308:4903.0 309:2260.0 310:606.0 311:344.0 316:1485.0 317:739.0 318:414.0 331:319.0 332:323.0 333:2771.0 334:579.0 335:535.0 337:90.0 338:92.0 339:69.0 348:1645.0 350:249.0 351:196.0 362:276.0 364:346.0 371:95.0 387:75.0 404:73.0 409:71.0 416:92.0 419:68.0 421:86.0 440:62.0 444:36.0 458:48.0 461:95.0 467:149.0 469:76.0 471:39.0 482:67.0 489:55.0 497:59.0 6267 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N ascorbic acid 672898 332 238 85:135.0 86:135.0 87:248.0 88:196.0 89:2251.0 90:375.0 93:178.0 94:27.0 95:496.0 97:119.0 98:172.0 99:591.0 101:524.0 103:2328.0 104:337.0 105:143.0 109:261.0 111:411.0 113:46.0 114:178.0 115:672.0 116:132.0 117:10603.0 118:841.0 119:893.0 121:54.0 122:44.0 123:190.0 125:19.0 126:59.0 127:410.0 128:196.0 131:1308.0 132:231.0 133:3873.0 134:556.0 135:442.0 136:83.0 137:62.0 139:81.0 140:1.0 141:157.0 142:744.0 143:700.0 144:82.0 145:57.0 146:50.0 147:19514.0 148:3661.0 149:2433.0 150:152.0 151:220.0 153:208.0 154:158.0 155:197.0 156:112.0 157:353.0 159:216.0 162:17.0 163:100.0 164:12.0 165:72.0 168:24.0 169:429.0 170:323.0 171:66.0 172:84.0 173:193.0 175:197.0 176:63.0 177:37.0 178:58.0 179:40.0 181:45.0 183:127.0 187:86.0 188:54.0 189:181.0 190:67.0 191:360.0 192:79.0 193:103.0 197:84.0 199:147.0 200:73.0 201:301.0 202:14.0 204:36.0 205:2659.0 206:590.0 207:356.0 208:64.0 209:71.0 210:37.0 211:98.0 212:22.0 214:88.0 215:715.0 216:151.0 217:362.0 219:146.0 220:33.0 221:636.0 222:161.0 223:45.0 224:7.0 227:67.0 228:52.0 230:23.0 231:110.0 232:64.0 234:27.0 235:28.0 236:29.0 237:14.0 242:66.0 243:214.0 244:125.0 245:73.0 246:28.0 247:47.0 248:29.0 250:33.0 252:13.0 254:42.0 255:29.0 257:242.0 258:289.0 259:370.0 260:198.0 261:75.0 262:33.0 267:18.0 268:8.0 269:78.0 271:85.0 275:48.0 276:36.0 277:19.0 282:26.0 285:60.0 287:14.0 288:22.0 294:37.0 296:17.0 297:24.0 298:38.0 299:53.0 300:11.0 301:29.0 303:316.0 304:324.0 305:286.0 306:106.0 307:62.0 308:25.0 311:23.0 314:27.0 315:49.0 317:61.0 319:56.0 320:26.0 323:18.0 324:24.0 329:8.0 330:75.0 331:480.0 332:4247.0 333:1407.0 334:376.0 335:36.0 337:43.0 343:35.0 345:378.0 346:188.0 350:25.0 354:48.0 357:22.0 358:46.0 359:337.0 360:139.0 361:205.0 362:97.0 363:45.0 371:23.0 374:391.0 382:27.0 394:7.0 395:28.0 398:8.0 408:33.0 410:15.0 415:21.0 419:87.0 421:42.0 422:33.0 425:31.0 437:25.0 438:8.0 447:39.0 448:36.0 449:145.0 451:35.0 462:12.0 473:41.0 475:30.0 499:18.0 54670067 C00072 CIWBSHSKHKDKBQ-JLAZNSOCSA-N arachidonic acid 837115 91 64589 85:8972.0 88:4884.0 89:53747.0 90:12379.0 91:1986143.0 92:445814.0 93:1024668.0 94:368422.0 95:357548.0 96:41847.0 97:27251.0 103:48984.0 104:123674.0 105:867808.0 106:682595.0 107:374732.0 108:454293.0 109:137838.0 110:8677.0 111:1163.0 115:121297.0 117:1291545.0 118:216358.0 119:711032.0 120:374816.0 121:180393.0 122:78287.0 123:24472.0 127:6430.0 128:51855.0 129:620669.0 130:124204.0 131:502742.0 132:194088.0 133:396607.0 134:161515.0 135:137351.0 136:30040.0 137:13484.0 139:4079.0 141:58375.0 142:12821.0 143:113525.0 144:36299.0 145:361157.0 146:141879.0 147:31004.0 148:111728.0 149:42212.0 150:12941.0 151:17169.0 153:5343.0 155:52070.0 157:126146.0 159:165960.0 160:91700.0 161:139042.0 162:78707.0 163:24013.0 164:6398.0 165:10064.0 167:12174.0 168:1690.0 169:84795.0 170:17479.0 171:170016.0 172:26966.0 173:160013.0 175:144087.0 176:45085.0 177:8794.0 181:23088.0 182:6733.0 183:63794.0 184:14626.0 185:67512.0 186:18660.0 187:98992.0 188:41790.0 189:26174.0 190:3190.0 194:477.0 195:20139.0 197:75662.0 198:16144.0 199:55186.0 200:17331.0 201:92678.0 202:29604.0 203:11505.0 209:12044.0 210:812.0 211:20662.0 212:6201.0 213:32881.0 214:10300.0 215:83360.0 216:15850.0 218:47384.0 219:15319.0 220:5832.0 221:4679.0 222:180.0 223:22043.0 224:4828.0 225:11066.0 227:15326.0 228:5751.0 229:9293.0 230:1903.0 235:11487.0 236:2742.0 237:16920.0 238:43172.0 239:11464.0 240:1521.0 241:11180.0 242:12465.0 243:3069.0 247:3253.0 249:8100.0 250:3046.0 251:8052.0 252:6304.0 255:6725.0 256:2182.0 261:1744.0 263:5324.0 264:1203.0 265:6356.0 266:4882.0 267:4919.0 275:3773.0 276:998.0 277:6444.0 278:13014.0 279:5115.0 280:311.0 289:792.0 291:4069.0 292:4419.0 293:2779.0 294:1803.0 303:3008.0 305:14304.0 306:5626.0 317:1572.0 331:5236.0 332:1031.0 333:1662.0 345:4497.0 346:2416.0 359:6178.0 360:2762.0 369:645.0 370:199.0 371:2932.0 372:1019.0 374:2092.0 375:535.0 376:46.0 391:736.0 439:437.0 440:145.0 465:495.0 472:459.0 473:559.0 474:575.0 475:431.0 484:160.0 485:168.0 486:27.0 487:1.0 488:110.0 500:103.0 444899 C00219 YZXBAPSDXZZRGB-DOFZRALJSA-N arachidic acid 856421 117 291 85:167.0 89:444.0 90:10.0 92:58.0 93:400.0 94:80.0 95:656.0 98:494.0 99:384.0 100:46.0 102:86.0 105:51.0 107:116.0 110:60.0 111:101.0 113:12.0 115:21.0 116:933.0 117:16860.0 118:1459.0 119:650.0 120:71.0 125:117.0 128:67.0 129:7682.0 130:803.0 132:6486.0 133:1341.0 134:343.0 135:92.0 137:72.0 138:29.0 140:58.0 141:48.0 143:611.0 144:144.0 145:3932.0 146:417.0 157:65.0 159:172.0 160:80.0 161:46.0 164:44.0 168:34.0 171:218.0 172:32.0 174:54.0 185:81.0 199:101.0 201:667.0 202:5.0 208:42.0 213:60.0 217:11.0 225:24.0 227:130.0 229:24.0 243:65.0 246:23.0 262:12.0 269:7.0 272:45.0 278:21.0 280:15.0 285:59.0 297:34.0 312:18.0 317:15.0 325:29.0 326:62.0 336:17.0 341:67.0 369:769.0 370:279.0 371:22.0 10467 C06425 VKOBVWXKNCXXDE-UHFFFAOYSA-N arabitol 572730 103 372446 85:2758.0 86:4683.0 87:26719.0 88:20528.0 89:94804.0 90:8837.0 91:4319.0 92:198.0 93:1522.0 94:1182.0 95:1716.0 96:1028.0 97:4394.0 98:1729.0 99:13063.0 101:82300.0 102:12277.0 103:768966.0 104:72837.0 105:37260.0 106:1894.0 107:887.0 108:631.0 109:712.0 110:1444.0 111:10142.0 112:1314.0 113:15331.0 114:2643.0 115:20427.0 116:31686.0 117:283728.0 118:29774.0 119:27052.0 120:1795.0 121:1501.0 122:224.0 123:277.0 124:880.0 125:960.0 126:153.0 127:5251.0 128:3416.0 129:291231.0 130:36913.0 131:86180.0 132:12172.0 133:175001.0 134:23485.0 135:15319.0 136:530.0 137:701.0 138:817.0 139:120.0 141:2290.0 142:4036.0 143:24398.0 144:2502.0 145:8026.0 146:1394.0 147:713955.0 148:102617.0 149:68608.0 150:6193.0 151:3424.0 152:1283.0 153:2554.0 154:1045.0 155:8303.0 156:723.0 157:34490.0 158:3668.0 159:7240.0 160:997.0 161:3845.0 162:1141.0 163:9148.0 164:1429.0 165:888.0 166:631.0 168:723.0 169:1484.0 170:3298.0 171:4030.0 172:784.0 173:2079.0 175:12728.0 176:1846.0 177:7485.0 178:1576.0 179:528.0 180:518.0 182:225.0 183:325.0 184:18.0 185:315.0 186:67.0 187:1069.0 188:148.0 189:68946.0 190:15278.0 191:38759.0 192:5750.0 193:4346.0 194:715.0 195:205.0 196:669.0 199:246.0 201:943.0 203:19078.0 204:58734.0 205:131664.0 206:24662.0 207:15842.0 208:1605.0 209:1027.0 210:100.0 215:1165.0 216:436.0 217:309071.0 218:63903.0 219:24856.0 220:3434.0 221:11500.0 222:2752.0 223:1378.0 224:789.0 227:194.0 229:6193.0 230:1072.0 231:2840.0 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340:57.0 341:76.0 342:68.0 343:95.0 344:61.0 345:147.0 346:77.0 347:53.0 349:44.0 350:79.0 351:179.0 352:90.0 353:94.0 354:75.0 355:120.0 356:81.0 357:102.0 358:63.0 359:72.0 360:94.0 361:100.0 362:123.0 363:155.0 364:106.0 365:87.0 366:57.0 367:41.0 368:96.0 369:121.0 370:75.0 371:102.0 372:93.0 373:122.0 374:103.0 375:66.0 376:115.0 377:129.0 378:115.0 379:136.0 380:125.0 381:127.0 382:116.0 383:72.0 384:103.0 385:108.0 386:123.0 387:121.0 388:77.0 389:80.0 391:84.0 392:108.0 393:128.0 394:194.0 395:1659.0 396:1017.0 397:543.0 398:189.0 399:66.0 400:65.0 401:144.0 402:112.0 403:67.0 404:84.0 405:107.0 407:534.0 408:367.0 409:385.0 410:219.0 411:152.0 412:122.0 413:97.0 414:96.0 415:103.0 416:114.0 417:99.0 418:78.0 419:52.0 420:87.0 421:205.0 422:1349.0 423:837.0 424:481.0 425:232.0 426:118.0 427:94.0 428:77.0 429:94.0 430:74.0 431:71.0 432:91.0 433:100.0 434:90.0 435:101.0 436:101.0 437:91.0 438:69.0 439:89.0 440:81.0 441:66.0 442:70.0 443:56.0 444:93.0 445:69.0 446:60.0 447:58.0 448:71.0 449:60.0 450:74.0 451:76.0 452:37.0 453:67.0 454:74.0 455:33.0 456:53.0 457:54.0 458:68.0 459:117.0 460:62.0 461:91.0 462:38.0 463:18.0 465:62.0 466:60.0 467:13.0 470:44.0 471:74.0 472:50.0 473:69.0 474:65.0 476:108.0 477:54.0 478:91.0 479:79.0 481:68.0 482:56.0 483:25.0 486:75.0 489:100.0 490:24.0 491:74.0 492:85.0 494:27.0 496:6.0 497:58.0 498:17.0 499:91.0 500:14.0 94154 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N aminomalonic acid 455754 133 413 86:2942.0 88:141.0 89:112.0 91:83.0 95:21.0 96:52.0 99:117.0 100:1404.0 101:500.0 102:258.0 103:262.0 105:161.0 113:119.0 114:63.0 115:110.0 116:295.0 117:454.0 119:188.0 120:63.0 121:40.0 122:45.0 131:1530.0 132:103.0 133:2100.0 134:376.0 143:19.0 144:92.0 147:5888.0 148:433.0 149:305.0 152:37.0 154:11.0 158:171.0 160:45.0 161:81.0 164:29.0 167:17.0 173:76.0 174:1023.0 175:272.0 176:72.0 178:67.0 184:42.0 188:48.0 204:78.0 205:64.0 211:13.0 213:29.0 218:2826.0 219:556.0 220:208.0 221:31.0 224:31.0 229:15.0 231:22.0 237:16.0 240:7.0 248:256.0 249:114.0 250:61.0 256:21.0 257:46.0 259:31.0 260:6.0 261:16.0 263:24.0 265:54.0 266:30.0 268:16.0 270:38.0 275:9.0 276:83.0 277:42.0 283:37.0 288:12.0 290:10.0 291:27.0 292:411.0 293:171.0 294:35.0 298:33.0 305:24.0 307:55.0 320:685.0 321:241.0 324:12.0 325:14.0 326:17.0 328:29.0 331:20.0 335:38.0 345:15.0 350:18.0 354:21.0 365:13.0 366:45.0 368:34.0 373:17.0 382:11.0 390:43.0 398:28.0 415:20.0 422:14.0 431:12.0 432:28.0 441:23.0 446:19.0 448:13.0 453:13.0 465:17.0 467:30.0 472:13.0 477:58.0 100714 C00872 JINBYESILADKFW-UHFFFAOYSA-N alpha-ketoglutarate 507392 198 294 85:208.0 87:154.0 89:4657.0 90:84.0 91:201.0 94:49.0 98:155.0 99:133.0 101:112.0 102:113.0 103:234.0 110:90.0 112:1654.0 113:180.0 114:75.0 115:296.0 118:19.0 125:56.0 126:615.0 128:246.0 129:323.0 131:331.0 133:422.0 135:87.0 142:51.0 143:95.0 144:23.0 145:67.0 147:7768.0 148:1161.0 149:693.0 152:14.0 154:243.0 155:35.0 156:3139.0 157:398.0 158:205.0 159:36.0 160:14.0 161:16.0 163:100.0 170:1125.0 171:173.0 172:311.0 173:128.0 174:90.0 175:31.0 182:102.0 183:89.0 184:104.0 185:35.0 186:1020.0 187:139.0 190:35.0 198:3239.0 199:335.0 200:204.0 201:209.0 202:664.0 203:43.0 204:45.0 206:13.0 214:29.0 229:539.0 230:93.0 268:20.0 272:44.0 273:25.0 288:551.0 289:122.0 304:395.0 305:40.0 306:19.0 450:18.0 458:20.0 51 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N alpha-aminoadipic acid 573295 260 125502 85:5171.0 86:2872.0 87:1853.0 88:805.0 89:1528.0 90:266.0 91:249.0 92:126.0 93:125.0 94:122.0 95:131.0 96:1290.0 97:581.0 98:6263.0 99:3004.0 100:22245.0 101:4204.0 102:2216.0 103:6429.0 104:717.0 105:691.0 106:54.0 107:157.0 108:1397.0 109:428.0 110:436.0 111:454.0 112:1270.0 113:1070.0 114:2235.0 115:12931.0 116:5935.0 117:5889.0 118:1058.0 119:1156.0 120:208.0 122:78.0 123:104.0 124:144.0 125:179.0 126:937.0 127:557.0 128:31549.0 129:30721.0 130:6109.0 131:8806.0 132:3177.0 133:8926.0 134:1583.0 135:853.0 136:143.0 137:108.0 138:335.0 139:247.0 140:389.0 141:417.0 142:1245.0 143:1149.0 144:608.0 145:1036.0 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264:96.0 271:45.0 272:2405.0 273:672.0 274:278.0 276:21.0 277:88.0 278:43.0 279:61.0 286:81.0 287:148.0 288:533.0 289:228.0 290:114.0 291:622.0 292:210.0 293:128.0 301:59.0 307:241.0 308:91.0 319:259.0 320:103.0 321:68.0 329:23.0 333:39.0 334:390.0 335:141.0 336:76.0 345:40.0 361:198.0 362:1308.0 363:600.0 364:269.0 365:52.0 376:88.0 377:651.0 378:257.0 379:138.0 380:70.0 397:33.0 458:53.0 472:15.0 494:19.0 92136 C00956 OYIFNHCXNCRBQI-BYPYZUCNSA-N alloxanoic acid 785329 331 33996 85:255.0 86:342.0 89:279.0 90:303.0 94:7.0 99:234.0 100:1698.0 101:235.0 102:141.0 103:3479.0 104:356.0 111:65.0 112:51.0 113:196.0 114:87.0 115:115.0 116:154.0 117:1004.0 118:113.0 119:43.0 122:13.0 125:153.0 128:37.0 129:418.0 130:12.0 131:678.0 133:960.0 139:30.0 140:167.0 141:19.0 142:427.0 143:602.0 144:348.0 147:5365.0 148:706.0 149:546.0 151:95.0 152:60.0 153:16.0 155:415.0 156:700.0 157:131.0 158:164.0 159:133.0 160:40.0 165:74.0 166:20.0 167:11.0 169:122.0 171:1.0 172:1419.0 173:626.0 174:377.0 175:78.0 176:32.0 180:8.0 183:35.0 184:67.0 186:143.0 187:51.0 188:954.0 189:553.0 190:99.0 191:243.0 199:158.0 200:52.0 201:21.0 202:320.0 203:15.0 204:671.0 205:1190.0 206:270.0 207:79.0 212:20.0 214:72.0 215:9.0 216:70.0 217:1010.0 218:66.0 219:48.0 221:9.0 223:24.0 226:12.0 227:156.0 229:22.0 230:194.0 231:51.0 232:4.0 240:67.0 242:5.0 243:244.0 245:25.0 251:25.0 253:1.0 254:31.0 256:25.0 257:7.0 258:26.0 259:187.0 260:39.0 265:3.0 269:127.0 270:35.0 272:22.0 275:18.0 278:195.0 279:27.0 280:42.0 286:3.0 288:34.0 289:11.0 290:4.0 291:132.0 292:57.0 297:27.0 301:10.0 302:18.0 303:1.0 307:96.0 310:9.0 313:15.0 316:19.0 317:270.0 318:42.0 327:15.0 329:107.0 330:154.0 331:11246.0 332:3484.0 333:1645.0 334:344.0 335:94.0 336:16.0 337:54.0 343:51.0 344:3.0 345:22.0 353:18.0 359:25.0 360:49.0 372:25.0 391:75.0 392:25.0 404:251.0 405:38.0 406:29.0 417:107.0 418:67.0 419:11.0 445:46.0 446:10.0 464:2.0 479:10.0 94146 BXTYRIKKNHXERN-UHFFFAOYSA-N allantoic acid 726050 259 117021 85:9202.0 86:13527.0 87:6721.0 88:2646.0 89:3219.0 90:881.0 91:267.0 92:306.0 93:763.0 94:240.0 95:279.0 96:330.0 97:473.0 98:1578.0 99:17000.0 100:119531.0 101:43572.0 102:14466.0 103:2967.0 104:591.0 105:379.0 106:147.0 107:115.0 108:53.0 109:92.0 110:262.0 111:598.0 112:367.0 113:1495.0 114:2528.0 115:12227.0 116:26372.0 117:15426.0 118:2713.0 119:1020.0 120:394.0 121:150.0 124:100.0 125:271.0 126:703.0 127:3756.0 128:2169.0 129:13432.0 130:8899.0 131:9186.0 132:13342.0 133:6934.0 134:1708.0 135:470.0 136:124.0 137:83.0 139:323.0 140:198.0 141:1173.0 142:1873.0 143:4610.0 144:2788.0 145:1222.0 146:2306.0 147:34156.0 148:6387.0 149:3484.0 150:386.0 151:152.0 154:320.0 155:1304.0 156:654.0 157:6297.0 158:3963.0 159:3181.0 160:1313.0 161:515.0 162:167.0 164:88.0 167:62.0 168:594.0 169:827.0 170:946.0 171:7863.0 172:7214.0 173:18071.0 174:11157.0 175:4765.0 176:1291.0 177:342.0 178:90.0 182:184.0 183:143.0 184:500.0 185:1166.0 186:2949.0 187:3609.0 188:6037.0 189:53945.0 190:9682.0 191:4136.0 192:461.0 196:54.0 197:155.0 198:897.0 199:989.0 200:3080.0 201:2189.0 202:893.0 203:612.0 204:282.0 205:225.0 208:79.0 209:59.0 210:42.0 211:117.0 212:102.0 213:213.0 214:708.0 215:1391.0 216:1525.0 217:273.0 225:100.0 226:153.0 227:339.0 228:1848.0 229:933.0 230:905.0 231:766.0 232:251.0 233:99.0 238:49.0 241:392.0 242:1967.0 243:8930.0 244:3165.0 245:1204.0 246:267.0 254:71.0 257:776.0 258:2709.0 259:66275.0 260:14644.0 261:6018.0 262:832.0 263:174.0 267:50.0 268:69.0 269:170.0 270:302.0 271:885.0 272:204.0 284:246.0 285:1341.0 286:416.0 287:204.0 306:23.0 311:24.0 316:35.0 318:81.0 327:165.0 329:202.0 330:359.0 331:654.0 332:242.0 333:103.0 334:46.0 335:30.0 340:13.0 341:67.0 342:64.0 357:580.0 358:513.0 359:5884.0 360:1945.0 361:819.0 362:214.0 363:58.0 367:19.0 373:163.0 374:3390.0 375:1307.0 376:562.0 377:150.0 378:37.0 381:24.0 406:17.0 408:17.0 417:18.0 418:29.0 441:13.0 458:24.0 464:11.0 475:14.0 487:11.0 203 C00499 NUCLJNSWZCHRKL-UHFFFAOYSA-N alanine 244189 116 2 85:3158.0 86:13644.0 87:4068.0 88:3439.0 89:983.0 90:196.0 91:253.0 93:372.0 94:6680.0 95:665.0 97:207.0 98:1020.0 99:805.0 100:24444.0 101:7141.0 102:7827.0 103:18348.0 104:1762.0 105:2019.0 107:860.0 110:602.0 112:751.0 113:917.0 114:4190.0 115:4871.0 116:395401.0 117:48488.0 118:16494.0 119:2692.0 120:172.0 127:1339.0 128:5915.0 129:862.0 130:2771.0 131:6829.0 132:2965.0 133:10359.0 134:1720.0 135:1132.0 136:81.0 142:62.0 143:39.0 144:1251.0 145:101.0 146:927.0 147:78930.0 148:12646.0 149:6222.0 150:478.0 151:105.0 158:147.0 160:155.0 161:51.0 167:26.0 172:139.0 174:823.0 175:285.0 176:139.0 178:14.0 188:186.0 190:14341.0 191:3102.0 192:1175.0 193:187.0 199:27.0 200:71.0 203:85.0 216:93.0 218:3500.0 219:651.0 220:269.0 223:21.0 229:19.0 230:13.0 232:73.0 233:81.0 234:29.0 242:26.0 261:24.0 271:29.0 277:32.0 282:19.0 288:15.0 301:22.0 303:30.0 304:32.0 308:16.0 318:26.0 319:31.0 328:24.0 334:37.0 338:19.0 340:31.0 342:29.0 343:17.0 355:18.0 359:33.0 360:27.0 366:25.0 367:47.0 370:28.0 373:46.0 376:15.0 386:28.0 387:21.0 388:33.0 391:42.0 396:20.0 398:12.0 399:25.0 404:33.0 410:40.0 413:31.0 415:13.0 416:30.0 418:30.0 420:30.0 422:42.0 423:18.0 425:19.0 427:22.0 432:36.0 434:48.0 446:16.0 447:34.0 449:29.0 451:15.0 461:22.0 463:16.0 464:21.0 471:24.0 495:27.0 498:30.0 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N adipic acid 474435 111 125 85:2037.0 86:2852.0 87:703.0 88:641.0 89:904.0 90:27.0 91:64.0 92:167.0 93:122.0 94:58.0 95:60.0 96:79.0 97:441.0 99:4029.0 100:405.0 101:502.0 102:524.0 105:259.0 107:59.0 108:26.0 109:187.0 110:362.0 111:58622.0 112:3744.0 113:1086.0 114:171.0 115:1351.0 116:2824.0 117:11244.0 118:1055.0 119:703.0 120:50.0 123:10.0 124:19.0 125:208.0 126:57.0 128:229.0 129:9390.0 130:2687.0 131:1989.0 132:910.0 133:3866.0 134:574.0 135:363.0 136:36.0 137:28.0 139:134.0 140:91.0 141:22408.0 142:2976.0 143:1671.0 144:12.0 145:426.0 146:254.0 147:25012.0 148:3888.0 149:5613.0 150:383.0 151:303.0 152:35.0 154:141.0 155:180.0 157:2340.0 158:564.0 159:5456.0 160:659.0 161:232.0 162:24.0 163:64.0 164:48.0 166:40.0 167:18.0 170:81.0 171:29.0 172:8835.0 173:1327.0 174:429.0 175:115.0 177:33.0 181:23.0 183:89.0 184:59.0 185:7436.0 186:765.0 187:338.0 188:18.0 189:114.0 191:28.0 197:13.0 198:23.0 199:48.0 200:825.0 201:305.0 202:94.0 203:216.0 204:1408.0 205:327.0 206:103.0 207:55.0 211:18.0 213:19.0 215:387.0 216:72.0 217:1764.0 218:417.0 219:176.0 220:55.0 222:21.0 225:9.0 226:21.0 228:29.0 229:113.0 230:49.0 231:404.0 232:97.0 234:22.0 235:18.0 236:13.0 237:39.0 240:33.0 242:13.0 243:27.0 245:35.0 246:12.0 247:307.0 248:117.0 249:47.0 250:36.0 251:46.0 252:14.0 253:31.0 254:29.0 255:16.0 259:33.0 261:61.0 262:34.0 263:32.0 264:19.0 272:17.0 273:20.0 274:40.0 275:3283.0 276:745.0 278:61.0 284:31.0 286:15.0 288:16.0 290:49.0 291:28.0 292:40.0 297:26.0 298:39.0 304:22.0 307:23.0 310:16.0 314:31.0 315:21.0 316:32.0 318:37.0 321:28.0 322:22.0 323:26.0 324:33.0 325:17.0 327:23.0 328:36.0 329:33.0 330:27.0 332:22.0 333:26.0 335:32.0 336:29.0 342:11.0 343:15.0 345:14.0 348:24.0 349:20.0 350:32.0 354:29.0 359:37.0 361:17.0 363:13.0 364:26.0 365:35.0 369:24.0 373:26.0 374:22.0 375:13.0 377:43.0 380:30.0 382:15.0 387:26.0 389:23.0 391:38.0 392:15.0 393:42.0 398:31.0 400:17.0 406:24.0 407:18.0 408:33.0 411:29.0 413:39.0 417:38.0 421:20.0 423:28.0 424:17.0 426:34.0 427:20.0 428:20.0 430:18.0 432:15.0 435:15.0 436:12.0 437:36.0 438:25.0 439:30.0 441:14.0 444:42.0 446:28.0 448:19.0 450:25.0 455:27.0 456:32.0 458:27.0 460:28.0 461:19.0 462:27.0 465:14.0 467:38.0 468:29.0 470:25.0 472:17.0 474:10.0 475:20.0 476:36.0 478:18.0 483:35.0 484:30.0 485:36.0 486:15.0 488:31.0 490:28.0 492:37.0 493:26.0 494:18.0 495:44.0 496:28.0 497:23.0 499:33.0 196 C06104 WNLRTRBMVRJNCN-UHFFFAOYSA-N adenosine-5-monophosphate 1038688 315 1726 89:44.0 90:17.0 95:28.0 99:134.0 100:1.0 101:125.0 103:17.0 109:23.0 111:98.0 113:1.0 114:17.0 115:10.0 121:48.0 125:109.0 129:374.0 133:166.0 137:3.0 140:48.0 141:68.0 142:69.0 143:116.0 147:698.0 151:31.0 153:46.0 156:6.0 157:17.0 158:16.0 162:7.0 164:3.0 165:144.0 169:2803.0 170:341.0 171:190.0 178:12.0 181:16.0 184:73.0 189:15.0 192:650.0 193:195.0 195:98.0 197:2.0 206:112.0 207:185.0 208:286.0 209:86.0 210:40.0 211:347.0 212:12.0 215:24.0 222:15.0 225:66.0 227:15.0 229:16.0 230:892.0 231:110.0 232:55.0 235:7.0 236:357.0 243:333.0 244:132.0 246:14.0 248:4.0 249:14.0 253:31.0 257:7.0 258:346.0 259:77.0 260:7.0 264:39.0 265:12.0 267:2.0 278:20.0 279:34.0 280:80.0 299:403.0 300:107.0 302:14.0 306:21.0 315:1318.0 316:252.0 317:143.0 322:71.0 328:10.0 337:111.0 350:20.0 355:65.0 361:2.0 366:2.0 371:8.0 372:6.0 373:40.0 376:25.0 382:101.0 383:3.0 384:4.0 387:59.0 389:15.0 401:12.0 404:12.0 413:4.0 446:1.0 463:8.0 466:11.0 467:8.0 476:12.0 6083 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N adenosine 918039 236 290 85:353.0 86:112.0 89:208.0 95:41.0 98:54.0 99:460.0 100:35.0 101:439.0 102:88.0 103:2553.0 104:236.0 105:110.0 109:159.0 111:217.0 113:236.0 115:473.0 116:284.0 117:469.0 119:106.0 120:28.0 126:71.0 129:719.0 130:43.0 131:300.0 132:124.0 133:869.0 134:103.0 135:182.0 136:60.0 137:23.0 138:121.0 139:38.0 142:46.0 143:329.0 144:32.0 145:58.0 147:1456.0 148:317.0 149:320.0 151:23.0 153:75.0 155:49.0 157:111.0 158:65.0 159:46.0 161:36.0 163:32.0 164:65.0 165:357.0 166:35.0 167:26.0 169:461.0 170:40.0 172:18.0 176:112.0 181:43.0 189:137.0 191:65.0 192:1613.0 193:207.0 204:44.0 206:352.0 207:149.0 208:920.0 209:168.0 210:27.0 217:1389.0 218:314.0 219:95.0 220:42.0 229:41.0 230:3166.0 231:750.0 232:335.0 236:3623.0 237:456.0 238:57.0 243:536.0 244:93.0 245:1467.0 246:353.0 247:72.0 248:32.0 258:110.0 259:221.0 260:57.0 264:155.0 265:52.0 278:42.0 279:85.0 280:312.0 281:57.0 293:25.0 294:12.0 296:16.0 306:174.0 320:51.0 321:27.0 322:106.0 324:30.0 334:84.0 346:24.0 348:71.0 60961 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N adenine 646701 264 16805 85:54.0 86:321.0 89:1488.0 90:133.0 93:347.0 98:87.0 99:756.0 100:1997.0 101:198.0 102:25.0 103:6633.0 104:1287.0 105:1860.0 109:62.0 110:219.0 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