#METABOLOMICS WORKBENCH westcoastmetabolomics_20230822_104623 DATATRACK_ID:4240 STUDY_ID:ST002825 ANALYSIS_ID:AN004609 PROJECT_ID:PR001767 VERSION 1 CREATED_ON August 22, 2023, 1:08 pm #PROJECT PR:PROJECT_TITLE Brain Metabolomics in Fragile X-Associated Tremor/Ataxia Syndrome (FXTAS) PR:PROJECT_SUMMARY The course of pathophysiological mechanisms involved in fragile X-associated PR:PROJECT_SUMMARY tremor/ataxia syndrome (FXTAS) remains largely unknown. Previous proteomics and PR:PROJECT_SUMMARY metabolomics studies conducted in blood samples collected from FMR1 premutation PR:PROJECT_SUMMARY carriers with FXTAS reported abnormalities in energy metabolism, and precursors PR:PROJECT_SUMMARY of gluconeogenesis showed significant changes in plasma expression levels in PR:PROJECT_SUMMARY FMR1 premutation carriers who developed FXTAS. We conducted an analysis of PR:PROJECT_SUMMARY postmortem human brain tissues from 44 donors, 25 brains with FXTAS, and 19 PR:PROJECT_SUMMARY matched controls. We quantified the metabolite relative abundance in the PR:PROJECT_SUMMARY inferior temporal gyrus and the cerebellum using untargeted mass spectrometry PR:PROJECT_SUMMARY (MS)-based metabolomics. We investigated how the metabolite type and abundance PR:PROJECT_SUMMARY relate to the number of cytosine-guanine-guanine (CGG) repeats, to markers of PR:PROJECT_SUMMARY neurodegeneration, and to the symptoms of FXTAS. PR:INSTITUTE UC Davis PR:LAST_NAME Martínez-Cerdeño PR:FIRST_NAME Verónica PR:ADDRESS 2425 Stockton Blvd, 6th Floor, Sacramento, CA 95817 PR:EMAIL vmartinezcerdeno@ucdavis.edu PR:PHONE 916-453-2163 #STUDY ST:STUDY_TITLE Brain Metabolomics in Fragile X-Associated Tremor/Ataxia Syndrome (FXTAS) ST:STUDY_SUMMARY The course of pathophysiological mechanisms involved in fragile X-associated ST:STUDY_SUMMARY tremor/ataxia syndrome (FXTAS) remains largely unknown. Previous proteomics and ST:STUDY_SUMMARY metabolomics studies conducted in blood samples collected from FMR1 premutation ST:STUDY_SUMMARY carriers with FXTAS reported abnormalities in energy metabolism, and precursors ST:STUDY_SUMMARY of gluconeogenesis showed significant changes in plasma expression levels in ST:STUDY_SUMMARY FMR1 premutation carriers who developed FXTAS. We conducted an analysis of ST:STUDY_SUMMARY postmortem human brain tissues from 44 donors, 25 brains with FXTAS, and 19 ST:STUDY_SUMMARY matched controls. We quantified the metabolite relative abundance in the ST:STUDY_SUMMARY inferior temporal gyrus and the cerebellum using untargeted mass spectrometry ST:STUDY_SUMMARY (MS)-based metabolomics. We investigated how the metabolite type and abundance ST:STUDY_SUMMARY relate to the number of cytosine-guanine-guanine (CGG) repeats, to markers of ST:STUDY_SUMMARY neurodegeneration, and to the symptoms of FXTAS. ST:INSTITUTE UC Davis ST:LAST_NAME Martínez-Cerdeño ST:FIRST_NAME Verónica ST:ADDRESS 2425 Stockton Blvd, 6th Floor, Sacramento, CA 95817 ST:EMAIL vmartinezcerdeno@ucdavis.edu ST:PHONE 916-453-2163 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - 1001-16-PF-CBL_057 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa23_1 SUBJECT_SAMPLE_FACTORS - 1002-18-WH-CBL_063 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa19_1 SUBJECT_SAMPLE_FACTORS - 1003-16-JSE-CBL_059 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa10_1 SUBJECT_SAMPLE_FACTORS - 1004-04-FS-CBL_040 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa29_1 SUBJECT_SAMPLE_FACTORS - 1004-16-SJ-CBL_061 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa02_1 SUBJECT_SAMPLE_FACTORS - 1004-19-EA-CBL_064 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa01_1 SUBJECT_SAMPLE_FACTORS - 1006-05-KW-CBL_043 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa21_1 SUBJECT_SAMPLE_FACTORS - 1007-05-HP-CBL_042 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa07_1 SUBJECT_SAMPLE_FACTORS - 1007-05-LL-CBL_038 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa05_1 SUBJECT_SAMPLE_FACTORS - 1008-20-RF-CBL_066 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa18_1 SUBJECT_SAMPLE_FACTORS - 1009-20-DJ-CBL_068 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa08_1 SUBJECT_SAMPLE_FACTORS - 1015-09-DK-CBL_051 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa14_1 SUBJECT_SAMPLE_FACTORS - 1018-08-EB-CBL_047 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa23_1 SUBJECT_SAMPLE_FACTORS - 1030-09-MM-CBL_053 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa44_1 SUBJECT_SAMPLE_FACTORS - 1041-08-IM-CBL_049 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa02_1 SUBJECT_SAMPLE_FACTORS - 1046-10-MR-CBL_055 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa11_1 SUBJECT_SAMPLE_FACTORS - 105-03-AG-CBL_034 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa24_2 SUBJECT_SAMPLE_FACTORS - 1052-08-WS-CBL_045 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa11_1 SUBJECT_SAMPLE_FACTORS - 1060-07-RS-CBL_071 treatment:CBL - cases RAW_FILE_NAME=220603bKCsa33_1 SUBJECT_SAMPLE_FACTORS - 334-04-KC-CBL_036 treatment:CBL - cases RAW_FILE_NAME=220604bKCsa20_1 SUBJECT_SAMPLE_FACTORS - 249276-CBL_024 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa40_1 SUBJECT_SAMPLE_FACTORS - 249277-CBL_016 treatment:CBL - controls RAW_FILE_NAME=220604bKCsa13_1 SUBJECT_SAMPLE_FACTORS - 249278-CBL_031 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa22_1 SUBJECT_SAMPLE_FACTORS - 249279-CBL_014 treatment:CBL - controls RAW_FILE_NAME=220604bKCsa22_1 SUBJECT_SAMPLE_FACTORS - 249280-CBL_020 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa01_1 SUBJECT_SAMPLE_FACTORS - 249283-CBL_026 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa26_1 SUBJECT_SAMPLE_FACTORS - 249284-CBL_017 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa15_1 SUBJECT_SAMPLE_FACTORS - 249285-CBL_022 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa03_1 SUBJECT_SAMPLE_FACTORS - 249290-CBL_028 treatment:CBL - controls RAW_FILE_NAME=220604bKCsa16_1 SUBJECT_SAMPLE_FACTORS - 249296-CBL_033 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa43_1 SUBJECT_SAMPLE_FACTORS - 3642-CBL_006 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa45_1 SUBJECT_SAMPLE_FACTORS - 3651-CBL_010 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa28_1 SUBJECT_SAMPLE_FACTORS - 5511-CBL_012 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa34_1 SUBJECT_SAMPLE_FACTORS - 5657-CBL_008 treatment:CBL - controls RAW_FILE_NAME=220604bKCsa04_1 SUBJECT_SAMPLE_FACTORS - UCD-17-13-CBL_001 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa39_1 SUBJECT_SAMPLE_FACTORS - UCD-18-04-CBL_002 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa13_1 SUBJECT_SAMPLE_FACTORS - UCD-18-05-CBL_003 treatment:CBL - controls RAW_FILE_NAME=220603bKCsa41_1 SUBJECT_SAMPLE_FACTORS - UCD-18-06-CBL_004 treatment:CBL - controls RAW_FILE_NAME=220604bKCsa09_1 SUBJECT_SAMPLE_FACTORS - 1001-16-PF-ITG_058 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa46_1 SUBJECT_SAMPLE_FACTORS - 1002-18-WH-ITG_070 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa06_1 SUBJECT_SAMPLE_FACTORS - 1003-16-JSE-ITG_060 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa19_1 SUBJECT_SAMPLE_FACTORS - 1004-04-FS-ITG_041 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa25_1 SUBJECT_SAMPLE_FACTORS - 1004-16-SJ-ITG_062 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa08_1 SUBJECT_SAMPLE_FACTORS - 1004-19-EA-ITG_065 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa21_1 SUBJECT_SAMPLE_FACTORS - 1006-05-KW-ITG_044 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa32_1 SUBJECT_SAMPLE_FACTORS - 1006-20-MS-ITG_073 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa27_1 SUBJECT_SAMPLE_FACTORS - 1007-05-HP-ITG_074 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa42_1 SUBJECT_SAMPLE_FACTORS - 1007-05-LL-ITG_039 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa16_2 SUBJECT_SAMPLE_FACTORS - 1008-20-RF-ITG_067 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa14_1 SUBJECT_SAMPLE_FACTORS - 1009-20-DJ-ITG_069 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa07_1 SUBJECT_SAMPLE_FACTORS - 1015-09-DK-ITG_052 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa35_1 SUBJECT_SAMPLE_FACTORS - 1018-08-EB-ITG_048 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa17_1 SUBJECT_SAMPLE_FACTORS - 1030-09-MM-ITG_054 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa17_1 SUBJECT_SAMPLE_FACTORS - 1041-08-IM-ITG_050 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa36_1 SUBJECT_SAMPLE_FACTORS - 1046-10-MR-ITG_056 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa06_1 SUBJECT_SAMPLE_FACTORS - 105-03-AG-ITG_035 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa24_1 SUBJECT_SAMPLE_FACTORS - 1052-08-WS-ITG_046 treatment:ITG BA20 - cases RAW_FILE_NAME=220604bKCsa18_1 SUBJECT_SAMPLE_FACTORS - 1060-07-RS-ITG_072 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa12_1 SUBJECT_SAMPLE_FACTORS - 334-04-KC-ITG_037 treatment:ITG BA20 - cases RAW_FILE_NAME=220603bKCsa37_1 SUBJECT_SAMPLE_FACTORS - 249281-BA20_032 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa20_1 SUBJECT_SAMPLE_FACTORS - 249282-BA20_018 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa30_1 SUBJECT_SAMPLE_FACTORS - 249286-BA20_019 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa10_1 SUBJECT_SAMPLE_FACTORS - 249287-BA20_015 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa38_1 SUBJECT_SAMPLE_FACTORS - 249288-BA20_029 treatment:ITG BA20 - controls RAW_FILE_NAME=220604bKCsa03_1 SUBJECT_SAMPLE_FACTORS - 249289-BA20_027 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa05_1 SUBJECT_SAMPLE_FACTORS - 249291-BA20_013 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa48_1 SUBJECT_SAMPLE_FACTORS - 249292-BA20_023 treatment:ITG BA20 - controls RAW_FILE_NAME=220604bKCsa12_1 SUBJECT_SAMPLE_FACTORS - 249293-BA20_1140-BA20_030 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa49_1 SUBJECT_SAMPLE_FACTORS - 249294-BA20_021 treatment:ITG BA20 - controls RAW_FILE_NAME=220604bKCsa15_1 SUBJECT_SAMPLE_FACTORS - 249295-BA20_025 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa47_1 SUBJECT_SAMPLE_FACTORS - 3642-BA20_005 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa50_1 SUBJECT_SAMPLE_FACTORS - 3651-BA20_009 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa04_1 SUBJECT_SAMPLE_FACTORS - 5511-BA20_011 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa09_1 SUBJECT_SAMPLE_FACTORS - 5657-BA20_007 treatment:ITG BA20 - controls RAW_FILE_NAME=220603bKCsa31_1 SUBJECT_SAMPLE_FACTORS - Pool_01 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa25_1 SUBJECT_SAMPLE_FACTORS - Pool_02 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa26_1 SUBJECT_SAMPLE_FACTORS - Pool_03 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa27_1 SUBJECT_SAMPLE_FACTORS - Pool_04 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa28_1 SUBJECT_SAMPLE_FACTORS - Pool_05 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa29_1 SUBJECT_SAMPLE_FACTORS - Pool_06 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa30_1 SUBJECT_SAMPLE_FACTORS - Pool_07 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa31_1 SUBJECT_SAMPLE_FACTORS - Pool_08 treatment:Cecal - Pool RAW_FILE_NAME=220604bKCsa32_1 #COLLECTION CO:COLLECTION_SUMMARY frozen samples CO:SAMPLE_TYPE Brain #TREATMENT TR:TREATMENT_SUMMARY NA #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 normalized peak heights MS_METABOLITE_DATA_START Samples 1001-16-PF-CBL_057 1002-18-WH-CBL_063 1003-16-JSE-CBL_059 1004-04-FS-CBL_040 1004-16-SJ-CBL_061 1004-19-EA-CBL_064 1006-05-KW-CBL_043 1007-05-HP-CBL_042 1007-05-LL-CBL_038 1008-20-RF-CBL_066 1009-20-DJ-CBL_068 1015-09-DK-CBL_051 1018-08-EB-CBL_047 1030-09-MM-CBL_053 1041-08-IM-CBL_049 1046-10-MR-CBL_055 105-03-AG-CBL_034 1052-08-WS-CBL_045 1060-07-RS-CBL_071 334-04-KC-CBL_036 249276-CBL_024 249277-CBL_016 249278-CBL_031 249279-CBL_014 249280-CBL_020 249283-CBL_026 249284-CBL_017 249285-CBL_022 249290-CBL_028 249296-CBL_033 3642-CBL_006 3651-CBL_010 5511-CBL_012 5657-CBL_008 UCD-17-13-CBL_001 UCD-18-04-CBL_002 UCD-18-05-CBL_003 UCD-18-06-CBL_004 1001-16-PF-ITG_058 1002-18-WH-ITG_070 1003-16-JSE-ITG_060 1004-04-FS-ITG_041 1004-16-SJ-ITG_062 1004-19-EA-ITG_065 1006-05-KW-ITG_044 1006-20-MS-ITG_073 1007-05-HP-ITG_074 1007-05-LL-ITG_039 1008-20-RF-ITG_067 1009-20-DJ-ITG_069 1015-09-DK-ITG_052 1018-08-EB-ITG_048 1030-09-MM-ITG_054 1041-08-IM-ITG_050 1046-10-MR-ITG_056 105-03-AG-ITG_035 1052-08-WS-ITG_046 1060-07-RS-ITG_072 334-04-KC-ITG_037 249281-BA20_032 249282-BA20_018 249286-BA20_019 249287-BA20_015 249288-BA20_029 249289-BA20_027 249291-BA20_013 249292-BA20_023 249293-BA20_1140-BA20_030 249294-BA20_021 249295-BA20_025 3642-BA20_005 3651-BA20_009 5511-BA20_011 5657-BA20_007 Pool_01 Pool_02 Pool_03 Pool_04 Pool_05 Pool_06 Pool_07 Pool_08 Factors treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - cases treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:CBL - controls treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - cases treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:ITG BA20 - controls treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool treatment:Cecal - Pool xylulose 1141 3491 1369 1445 1562 1979 1736 2200 1268 2883 3312 1935 571 585 800 1068 1436 418 2961 966 1761 922 1127 1009 1055 3019 1226 606 2595 977 1825 925 931 622 2163 2436 3047 1010 2423 6371 379 2152 2840 3082 2867 2120 2727 1909 3209 3342 928 1258 1335 1501 2269 2116 725 3100 1254 1835 4116 2113 1677 3010 3792 1501 2611 2088 667 5268 1857 3306 1925 1116 869 2157 1830 2200 2454 2316 2390 2580 xylose 917 6990 2818 4104 1001 2223 5047 5267 2264 4960 3534 2354 932 1718 1733 1756 2947 922 3686 3449 2138 1656 3115 309 2781 4389 1499 293 2916 2031 3530 1231 1105 707 1552 1521 1561 1050 3199 7224 3588 5681 3507 3971 1102 5621 7703 3796 7309 5863 2383 633 2310 3297 3721 4578 988 2945 3190 2318 5732 3665 3057 4894 4401 2584 5529 4477 5138 10167 4302 2473 2813 1622 3227 1266 1212 3863 3983 3656 4207 375 xylitol 3384 18530 5438 8735 12787 10912 10935 10996 4864 22861 14484 14881 2687 3237 5388 11351 10541 1699 13250 3438 11790 6012 12466 2437 7007 23242 8062 6971 14123 8308 14229 4565 5029 3222 15864 16358 18986 11338 11351 26748 14148 12401 21702 14361 12755 11530 13194 8931 23625 17303 15943 3622 9550 13810 21431 15483 2457 16659 4919 13022 20248 14772 11345 10430 18414 6708 25863 23662 10479 31878 17040 26367 8925 12353 11477 12373 12600 12912 13250 12085 14123 13762 xanthosine 146 761 237 266 362 181 310 278 201 291 439 164 1314 271 148 255 159 481 444 307 496 238 366 206 246 803 222 529 229 296 423 199 116 184 270 318 320 177 149 414 288 232 334 233 230 283 280 189 226 340 270 188 194 296 281 211 1725 254 271 500 358 315 240 252 333 261 272 381 318 490 353 406 205 306 347 216 395 366 385 318 331 300 xanthine 14511 29397 9743 4584 19270 2964 7917 16747 15201 19211 13659 10620 16299 19843 17368 19742 4791 15824 14071 19680 16602 10536 13942 16294 12894 23706 15742 24581 10876 11189 13816 16528 5599 19781 22380 21007 17459 25897 17855 3405 13342 9028 16308 16058 11827 13116 17252 14224 13926 16136 12214 10853 14044 23897 14338 9451 19938 12813 17539 17282 24333 15987 17043 28854 22235 20700 16831 16028 20732 24653 9559 20619 12499 20454 16240 17880 17232 18624 17746 15917 16737 14852 valine 159317 163558 74193 106011 104862 125267 76687 169864 122996 220457 206093 117052 92589 141070 216852 318313 39289 108241 219929 101425 253839 103118 137209 153398 175481 248670 235336 225084 130219 108849 162130 284562 136141 122104 431547 231472 225907 196828 105098 165842 124562 80579 76741 113108 52521 116526 122183 61797 77942 101017 113655 56641 103649 132625 174369 79090 94785 164240 148457 78657 174599 146047 98216 151743 165111 160588 84867 119321 75487 151260 87622 260267 90288 69793 214237 164485 132972 131939 150005 102040 95717 92284 uridine 621 4040 1022 1166 2102 2227 668 1683 340 2943 980 1727 753 836 965 748 797 695 3322 917 2293 769 774 417 1941 7759 896 1430 3064 910 2326 742 703 786 3926 2310 3964 1306 748 1704 1015 1353 1097 2157 1512 731 1303 718 1288 833 838 209 492 1220 1358 1320 834 762 1312 1051 1472 97 701 1972 2023 845 1601 1620 1627 993 1121 2621 597 696 1365 1394 1796 1992 1553 1260 1497 1128 urea 1675562 1127282 1556662 1230919 986592 1153127 1655647 2232137 944393 1826873 905773 636367 327314 1339568 1058295 815710 1341466 320988 1597816 1007213 803713 594167 732747 236071 1165110 1287567 720146 1914659 1376905 1370005 1749152 443322 1126581 255501 1310690 1438375 513993 632085 1324682 652158 1529278 1162466 1094161 1337235 1683182 1790230 2088255 1502953 1691621 545360 640579 1504067 1879330 1133817 480270 1478156 422681 1661347 991344 1092776 1382660 1167935 614321 423208 1389683 692872 832459 801764 1527852 1211792 1639271 1340688 1345558 5326 1157493 1517634 1506735 1572543 1537531 1398812 1633783 1467073 uracil 20937 7908 15244 10593 17983 10069 5475 18504 25320 11326 11617 11213 21677 17799 25242 25582 7751 26843 9577 26427 15406 35654 27843 40752 17805 7032 30004 28317 8806 23960 14099 35647 23012 35119 12994 22364 27767 35177 15468 8875 7996 7057 9622 7580 5664 12689 15782 21993 7876 14989 11194 11772 20221 26081 21200 9915 24810 19350 27144 18624 9027 12447 18306 18498 8834 35346 10466 21768 21472 5203 18524 8841 16003 28331 19123 19784 18162 20237 21534 17237 13608 13872 UDP-N-acetylglucosamine 994 1015 1454 2723 1021 691 2530 1177 1657 1281 1345 1397 850 1678 915 892 2627 918 1083 1808 1452 2591 1332 1159 1580 1224 1996 1552 1039 1664 1439 986 864 1495 376 803 787 771 1085 3433 1045 1917 1126 1023 1281 1180 1174 1324 1552 1152 589 1105 1139 708 838 1248 874 1374 1212 1154 1230 1268 1388 439 1216 702 1590 1313 1779 1541 1382 1127 911 726 1247 1560 1232 1391 1072 1503 1605 1274 UDP-glucuronic acid 366 232 480 886 596 456 360 656 479 195 1764 393 342 632 299 411 608 377 284 421 296 357 1078 452 357 186 290 439 449 1884 391 330 179 504 520 287 180 287 313 220 674 367 400 279 470 705 620 742 177 1358 521 378 381 274 403 341 693 212 287 2330 650 485 331 689 748 430 352 1395 698 178 270 445 221 596 468 436 503 502 485 514 672 463 tyrosine 174382 310498 145565 77097 141363 218092 107541 224814 148877 214589 283060 121318 162955 145751 119775 264469 42985 177428 241206 126695 178238 152681 186649 225009 118403 340016 143100 210834 297690 74470 218169 190834 103627 163580 476385 263881 359155 299627 184940 239783 123245 73019 108578 244469 107331 94959 136789 90729 132329 170247 104546 98145 115881 121661 198247 42931 189193 158767 113117 61192 196351 110005 78293 290570 172500 143094 141947 139848 224768 200120 159434 172861 48213 94582 158222 161314 168768 182592 186042 179074 183573 173898 tryptophan 50824 103893 53319 20334 36708 69686 25390 59085 34942 61631 73840 36522 45294 53845 26427 63928 13165 54020 74445 39209 49758 36140 52737 46459 49599 108813 35793 64117 84984 21450 72000 51762 19848 41701 130666 61806 106888 93638 59989 67235 52161 26308 32215 74917 33527 32821 40621 27172 43270 55266 28997 23772 41630 34068 60179 17086 56880 59023 38702 20894 62368 50560 25456 83492 60067 41943 37276 43733 56330 56138 59904 79016 16853 25371 50889 49359 52245 57427 56154 53104 49915 48105 trans-4-hydroxyproline 1802 1456 1644 1124 1148 3392 1735 1327 1512 1974 2205 1256 1422 1114 1814 1537 1235 3029 1353 1690 1388 1344 2811 2244 1862 1323 1355 2307 1670 1112 1815 1726 758 1097 1077 1156 4656 1637 1562 704 1535 1545 796 4754 1360 1976 1623 1224 1799 2111 1188 1807 1480 1659 1655 1096 1665 1874 1711 1510 1552 1293 1253 1108 1632 1954 1383 2015 1263 1108 1711 1609 1288 1201 1357 1593 1546 1831 1867 1593 1880 1417 tocopherol alpha- 4422 2124 4243 656 3146 6109 5062 1291 3979 3152 3853 2006 10247 8126 2553 1215 6282 7071 1231 2449 1934 3960 3635 3441 3132 2296 2297 1288 1559 3671 3209 2798 2687 6824 630 2408 1060 931 5875 3986 5278 2833 6785 5273 7219 4921 3290 7150 4388 8846 3894 3053 8244 6227 5620 6034 12492 3183 2271 6758 3165 4272 8615 6107 3396 4196 1866 4746 5032 5028 6308 2463 6774 5185 3927 4247 4302 3982 4355 3135 4176 4275 thymine 308 772 334 641 379 420 250 517 718 736 520 587 457 435 580 323 523 478 83 826 573 380 363 530 542 896 336 753 401 809 458 639 607 577 646 587 428 598 363 781 517 568 391 406 567 820 349 669 443 704 823 302 679 365 543 656 554 301 786 703 357 507 611 396 506 433 380 431 262 708 720 515 666 575 326 693 371 469 487 405 466 431 threonine 65536 55469 36188 25375 51986 50025 24397 58572 51239 53594 57421 35413 45641 64784 64761 76994 17956 49261 66719 49024 63318 56006 55614 89598 45988 71240 67014 106106 52166 58373 58267 77664 65288 55012 123438 64495 77501 74704 56803 51489 38116 18722 32350 51862 20004 27940 32621 31205 28029 31439 24859 33115 42031 41504 49903 20318 42605 39314 40074 40071 45567 40434 32286 66945 43550 59453 35046 42367 57735 37605 38515 73851 40471 28788 59818 50606 46954 50321 50654 44882 47793 42932 threonic acid 5308 4939 4331 4897 6124 2698 3443 7279 5474 3451 4214 2467 3434 3797 3939 2908 3530 3069 4191 7927 3471 3575 3922 5929 4433 2067 4825 6893 3930 6553 4660 3203 2715 2760 1574 4298 4247 285 3718 3352 3111 2515 3641 4117 3445 6688 5607 4917 2577 3197 3115 4232 3791 4753 2820 4110 3342 3284 5903 5386 4229 4083 3427 507 3940 3680 5165 3666 5406 2640 1780 2384 2724 2768 3984 4662 4371 4406 4651 4549 4856 4654 threitol 1285 1608 403 2200 3610 1059 2074 2667 1678 2248 3745 1399 1646 6284 1491 1724 2517 1729 2868 868 1942 2610 1934 2574 1776 1440 5324 2856 3125 3712 3319 1409 19373 1452 2338 1701 2583 1829 1305 1050 2736 1769 3691 3433 2086 581 2450 2055 1374 1810 410 1348 2650 1728 1614 2629 1710 2498 1427 4047 4300 1155 1463 1141 3783 1476 2003 2073 2945 2027 1322 1457 12336 1240 2734 2822 2623 2543 3105 2717 3107 3082 terephthalic acid 632 695 578 611 504 723 770 752 720 642 1063 745 431 495 919 861 497 485 637 626 855 451 709 442 1413 171 596 976 522 589 604 904 511 508 373 732 940 559 491 564 567 558 545 553 590 1006 761 554 532 826 782 481 780 529 1039 569 564 803 697 674 615 673 768 432 613 494 441 418 499 373 787 739 813 681 637 810 641 616 639 550 556 506 sucrose 1118 872 2685 494 1042 802 390 819 522 309 1188 1428 1245 850 1486 1049 8881 2102 867 560 961 1487 535 449 1710 2136 334 865 748 1000 1470 840 1379 703 1589 8055 2237 695 972 1633 5619 717 18241 1996 248 3954 139 1070 1131 1035 973 1447 641 760 1606 455 4323 809 1377 1408 1082 923 399 989 1221 506 370 424 701 596 375 12166 744 873 1373 2634 833 1967 2526 1351 1546 1627 succinic acid 4128 24749 12152 38816 13911 30873 21796 14611 7102 34265 39486 17198 23084 12757 12619 25126 24137 4733 18685 17252 30866 17935 16240 10320 21173 39445 22340 27115 47006 7532 28215 5112 26318 18587 34760 21341 34867 9660 5003 30503 25217 18161 7892 31276 15123 3905 12083 6452 20170 36308 13729 9750 2366 6000 19642 15101 27447 26576 10343 7815 33838 7964 11644 11199 27773 13077 18431 9787 21917 22355 50261 26615 12229 5969 17195 16396 19374 19858 22121 20476 21949 20912 succinate semialdehyde 2020 1103 897 1081 1583 1263 456 2891 2355 1487 1875 1174 1201 982 1147 1922 845 1002 822 1971 1354 818 667 1291 1761 1141 977 2223 1533 1065 2097 1876 823 942 1297 1851 2308 222 1082 1413 1059 882 951 1593 1130 1828 1909 1713 1140 488 2127 1292 886 794 543 650 1024 1311 1804 1084 1305 1484 1145 1823 156 1710 1109 1009 1129 654 1244 1411 653 1079 1936 1562 914 1378 1464 846 1267 1348 spiro(4,5)siladecane MassBank 3905 7916 7112 7876 8154 6462 4644 10779 12666 7357 8373 4151 7449 3200 3686 7930 8032 621 9064 5754 15630 7240 3528 8722 10120 5140 5721 8560 2490 6045 8434 9208 3861 7761 1507 3641 8644 6653 4034 8351 7687 5700 5912 2923 8543 11815 8329 6166 5790 9244 11436 10208 6534 7371 6511 3208 5824 8850 8515 5584 5985 8201 7226 5193 3380 3878 6567 4883 7314 3251 7057 10733 2415 9095 8060 8185 9540 7752 7811 6554 9172 6515 spermidine 171 315 297 115 408 6471 56 429 301 319 4658 293 1237 447 4429 525 128 773 788 92 268 267 245 179 264 488 233 433 580 206 203 382 9074 306 1110 496 1183 332 542 404 516 1162 1073 1005 419 556 1799 268 429 1522 552 377 492 3328 753 1193 755 554 1958 434 632 1016 480 723 603 462 459 464 603 2269 833 613 8295 993 523 463 534 518 558 750 363 493 sorbitol 81634 270001 158512 64363 221029 116109 192343 139868 89982 253835 88421 125973 23931 114842 93883 104362 76648 23778 400725 82252 191371 53640 103863 53777 201941 425866 137953 43702 131296 50118 188962 33697 31424 22637 191086 182053 159150 94352 109291 276318 127267 82462 148993 120143 142585 108073 88022 70403 184708 95967 89166 89115 65414 88484 138393 44977 31147 151642 53526 51489 152063 140443 48782 82069 139664 38900 195110 135904 49109 440609 139556 134035 68948 43333 112943 124402 120787 133116 131748 132860 132332 138116 shikimic acid 756 5341 1619 882 1179 16779 975 2028 1147 4336 5744 1383 657 703 377 838 1143 14658 6250 858 2348 1185 775 2389 1247 10648 1238 581 7332 765 2063 697 495 760 6648 2336 19222 1271 906 1894 1617 762 1277 18350 794 3107 2577 1147 2093 1962 1546 1113 789 553 881 993 747 2462 510 488 3838 709 585 1338 3198 645 1819 856 926 5314 1610 3560 538 558 1653 1630 1939 1940 2233 2168 2085 2016 serotonin 638 1290 824 2110 1255 464 1245 938 943 1010 556 898 1285 1342 558 538 1180 1072 949 819 793 1585 713 922 1053 2273 1832 672 1190 895 1457 1235 919 1229 1001 1261 856 1098 332 213 322 577 376 264 410 287 499 568 553 252 397 786 338 404 403 585 1290 392 588 672 581 713 776 410 583 716 432 228 339 303 756 553 575 543 758 946 802 751 894 796 769 614 serine 396820 355439 220145 117895 268879 285862 115693 461748 340133 323982 301032 185985 327936 352099 338674 478574 125739 304532 320246 402777 340941 368883 308794 579040 266932 348357 358128 444889 407556 186280 339092 468287 257465 361526 700822 378107 524159 584134 380885 322815 235756 194959 233314 354971 179487 256932 298023 222102 200493 224829 219248 233342 95645 314015 411943 217455 384971 235443 378802 182117 356884 309596 249601 563880 325877 419106 327583 240825 437087 296070 316434 394692 176719 233635 304185 327739 324409 356288 360640 328121 340436 307109 sedoheptulose 7-phosphate 2345 8419 8940 10458 6408 2789 11018 3378 1513 7109 5724 8627 431 1491 2569 1991 6574 167 6382 1789 5929 623 4071 572 4861 11038 3995 540 3094 679 6336 872 572 480 1378 3743 2521 878 5808 5987 11021 10396 5017 3263 14690 6825 4445 5652 6283 5056 9327 1317 1146 4905 3187 4996 397 5287 1038 2473 8109 4862 2016 2394 8002 1264 7778 1485 1380 15626 4543 5361 4682 409 4229 3700 4674 4801 4645 4032 4663 3725 salicylic acid 341 376 279 291 512 2370 741 484 508 341 365 1517 369 249 430 621 360 2362 334 416 308 461 407 645 621 374 420 393 409 360 294 456 229 354 228 420 2580 370 222 406 304 308 392 2557 346 513 857 499 374 335 1539 406 312 262 671 387 345 575 427 294 285 275 385 453 322 378 497 282 335 299 406 320 347 928 362 353 424 343 346 313 393 400 ribose 12275 45791 25615 12911 35038 35612 19186 30080 19823 36950 34463 35859 14918 13773 18876 24817 12154 9192 35865 18333 39252 22513 19879 24801 28391 52683 21269 12150 54020 13230 32458 17938 17127 13844 44363 43173 56561 31657 23168 65509 27405 19328 31668 30560 16447 16913 31027 27633 22971 15923 24860 16902 17412 20950 26786 15538 15804 21457 23124 22145 44539 21538 22131 23984 42932 32146 31359 16240 18832 48597 22611 49215 16326 20624 24157 25818 27677 29328 30698 28402 32196 32392 ribonic acid 9374 7387 5222 3737 13619 3550 17991 10482 6080 13193 11215 4328 2971 14031 6715 7091 6650 3665 6321 7026 5357 6661 9554 6099 8814 12991 13064 6719 5632 6056 20609 6954 6720 8579 10199 7676 3236 6644 10783 4330 5768 5422 6020 10403 11005 7839 10372 8720 8295 9993 4373 5058 4302 7169 6367 4830 3717 3339 10053 5776 8186 6474 5977 7335 7160 3690 6637 10553 5885 12907 16408 5004 5966 5463 7227 7548 7848 7877 8404 8177 7872 8522 ribitol 23596 32355 19312 880 31961 21876 11318 27212 35475 23822 16312 16779 23539 23728 26964 34597 11411 31961 13938 32405 23334 41332 25867 49562 18622 16956 24450 27692 19442 23176 18885 33147 12680 36104 25964 27495 33210 58855 31890 47405 18913 14774 27158 16181 13846 18100 28706 28620 19540 18119 15650 17370 19744 28679 32086 16116 25995 18124 26409 26550 21382 19421 30740 14243 19751 46265 27473 26183 34075 21607 19864 23626 20458 37373 22180 23493 23924 24954 26058 25660 27348 17851 pyrophosphate 8385 35303 40505 88955 46033 35200 90477 38417 54633 51659 21142 60639 27707 49290 36790 32850 106674 32456 51030 49215 49360 70968 41472 32956 39215 35834 35657 40864 46765 70045 48006 39640 48591 14394 20645 32340 36957 26289 49149 39454 63333 99286 43797 29529 83510 65223 56486 52739 53150 32076 61256 65893 47577 37382 25713 78596 41523 49351 48988 48560 57648 50140 65696 22068 46543 44195 53594 44964 46515 71181 42563 37894 40383 44015 38252 44946 45156 48838 18259 45096 40949 47853 putrescine 2610 4150 3870 2990 6248 48107 5548 8427 4473 6553 9947 7509 3420 4143 4575 6061 4790 46824 8245 3157 4037 5532 3588 6617 2621 4153 3399 10195 8761 5352 4395 3117 4140 3511 8383 5121 62953 3376 7459 12464 11256 14573 4623 54079 5545 11768 18270 14838 12572 14820 17464 6831 6984 9079 7805 7485 2994 52722 9196 6540 13304 8179 7307 6202 12723 12065 19125 7898 15965 9231 3962 27906 7914 1008 6179 6118 6573 7385 7288 7997 7627 7127 pseudo uridine 7496 9390 12606 4862 5478 3397 10445 9378 6211 14501 5716 2940 2286 12495 3415 5301 12673 2555 12272 4607 4912 2691 6051 3435 3590 6314 1441 8887 13803 11701 11937 2307 4502 3018 7313 4942 2756 4965 8057 6706 14361 5107 3817 16711 11360 4211 9674 7369 12699 5445 3139 2655 10102 3640 5289 12513 2671 12214 2707 12655 21669 3637 2124 3736 20014 2612 4204 5848 10516 7341 6393 6129 4533 2265 6544 7206 7138 7299 7774 7480 7506 7452 proline 47576 15280 11346 16505 21198 22883 11516 28525 20785 61286 93376 41616 15482 72189 108609 138404 2851 24692 70110 19770 113414 28089 56672 49366 42243 93460 108918 145002 26433 32351 33399 120017 84557 26884 274112 88222 60295 49992 25433 20554 37732 12924 11604 19978 6657 26660 24174 17118 9684 29595 24396 7408 39259 32890 73204 12997 13512 38746 57109 32023 47752 31030 35255 30148 69792 58698 12601 54829 14746 46706 14194 178878 42022 17793 103972 52322 29770 26511 52406 20020 17298 15120 phosphoethanolamine 161866 153786 218457 293586 173151 123793 198045 158371 239751 188552 146428 159154 85693 157120 100305 115230 219138 117536 126552 167503 184874 221376 125059 99159 106711 161597 124316 72877 153649 187536 178625 106240 104243 115898 78106 78271 70990 59211 180975 162791 189853 216184 200487 116861 258453 145285 193127 236052 193304 118937 197262 218689 176850 159198 91666 291130 105628 111158 209920 148129 187394 107235 220120 117367 160352 184889 265405 236193 152138 230525 112841 136342 141232 154605 116952 147397 158961 180955 183424 175792 162224 176856 phosphate 438451 248847 194751 277436 332941 211647 321815 417376 502282 189443 376394 389717 395005 200529 353359 354358 314462 288843 371026 284339 342860 327244 284794 332653 211078 333843 116709 214257 320618 336649 298064 362064 377583 371737 295108 320867 356320 314531 376291 423773 441890 449584 394422 342904 321689 332791 310978 394755 315826 332904 424010 338866 488606 316038 356527 489070 373994 351896 418034 495639 456331 312617 353653 272250 464345 388595 425630 37122 174106 379823 222086 183987 345546 379881 337111 315475 341782 302264 279011 248744 353212 300565 phenylalanine 93265 185876 91612 43268 92931 137845 65284 147580 93270 129202 148322 72281 88987 87056 77810 136358 37274 94042 145462 72409 65625 94513 106065 152834 80938 240001 96269 119273 176443 45139 123601 99166 68679 93887 274878 128905 209644 179404 100528 127390 78188 48356 67228 155640 56925 57329 93957 60580 86450 88956 59268 64771 76509 82465 119519 36366 92283 103454 55143 33917 126740 54138 44542 249528 124784 84858 83283 67246 101052 160754 86772 103459 37597 42406 92147 107048 104840 115075 119134 108671 121870 110894 pentadecanoic acid 6873 7097 6947 6882 6728 4088 4893 12432 8096 7110 12171 6309 6958 3838 11843 13222 7265 7113 8989 11802 5901 5698 7268 8713 14866 6042 6217 12675 7557 6128 6737 8362 5368 7846 5487 7276 9432 10097 3945 6972 5074 4920 6191 7200 5426 6589 5905 7400 6697 10036 6249 6723 5874 4619 9952 4585 11806 9981 7008 5851 5073 6372 4936 6486 5962 4863 5631 7203 6244 7690 7575 8456 7659 4987 7672 7246 6453 6909 7784 6951 7618 8042 pantothenic acid 1191 1235 6969 1156 8099 2471 5772 1618 2077 2508 1229 1189 2778 4043 5091 1737 3429 2952 1191 6411 1035 3838 2822 12925 2894 1415 1874 4031 6173 8237 1454 2334 1778 5996 2131 2275 5764 3591 1009 1842 6858 811 4154 848 1518 2063 1332 1773 1433 1534 1308 5618 3900 4406 1492 2098 3210 2449 4273 11895 7359 1985 2776 4016 6204 5278 6327 2280 3010 827 1976 2345 256 4963 3057 3912 3393 3984 3268 2627 4446 3874 palmitoleic acid 595 365 982 341 849 885 361 471 388 601 2884 673 627 627 429 996 453 671 310 500 374 435 2650 927 434 373 840 462 571 778 1020 646 744 742 366 979 686 879 457 905 789 376 525 892 173 463 478 558 503 1890 736 347 598 433 868 365 1049 315 442 827 477 554 488 454 284 472 345 2154 596 349 944 565 999 644 737 616 471 744 715 641 745 880 palmitic acid 82803 86225 84956 77968 88686 83069 69140 96492 137537 101755 143388 89753 93455 78155 114117 80773 87905 97435 64718 131672 105827 105123 105648 128975 179140 82183 91281 131453 134643 100082 124836 134314 81189 93816 83850 112218 121867 166683 62456 128012 73861 71762 125005 94739 77480 101782 87697 128314 107173 121635 110597 74505 100367 67641 120144 85984 152160 76704 104645 95875 82701 100092 94222 93571 107738 118696 82750 99447 93037 82290 101836 106261 120259 106335 92312 99887 91108 101286 107925 98009 96153 117654 oxoproline 1388464 1514040 1455390 1565795 1518725 1153456 1414981 1248205 1245000 1401145 1248763 1296986 1032837 1661697 1275482 1268214 1593149 1110911 1384871 1592976 1120060 1812184 1680499 1536704 1235296 1257804 1046911 1895948 1428714 1309840 1476629 1127002 949653 1196204 1067788 1195798 1220840 1526925 1434467 2052165 1212687 1272578 1274420 1212457 1477667 920857 1137220 1340336 1281800 1256255 988699 1604304 1319190 1387987 1077037 1290075 1243179 1694224 1329034 1179185 1298908 1264257 1247527 1335617 1204139 1475577 1508383 1354910 1889626 1580388 1347020 967343 986945 968511 1203810 1232631 1177347 1361495 1299224 1326356 1402787 1533448 ornithine 36184 51851 35902 17389 25894 22170 18864 60549 32853 29377 36071 15350 26014 34218 41157 47164 14393 42047 35119 44093 27560 43461 26268 96291 31173 33904 28537 44981 40775 25462 33012 59755 22722 53777 74595 45253 51588 200514 34620 34254 25792 25972 29636 39161 27588 19552 29500 27056 25658 25412 17105 37655 35061 49667 22695 15572 33505 27080 36555 21612 23215 30208 22459 41222 26247 56841 23727 27352 37142 22633 22670 63873 20427 30218 37398 33215 36517 39097 38082 41806 39615 37868 oleic acid 11705 13662 11300 7813 12559 14537 7116 8623 14589 17950 30427 10621 19670 12140 8516 8180 11088 16418 6888 16634 11411 13059 18354 18926 8920 12340 12113 11797 11267 16341 15595 13883 12024 13598 9621 13533 16312 18760 7915 25802 8676 8069 11147 14482 7400 10405 9911 14315 16154 24188 11618 7326 10055 7529 17660 9149 22838 6799 11653 15566 7618 10974 9922 12121 9280 12926 10384 15823 12057 9477 14236 11217 15758 12085 12501 12140 11738 12350 13589 12322 11910 14455 oleamide 2690 2021 1279 2819 611 1122 1627 1225 1927 1444 1479 1523 599 1757 1381 1231 983 1105 1146 3253 2716 3068 1852 3702 7051 2960 2276 5420 3491 1163 3005 3645 1877 1358 1877 10626 4156 3229 946 741 907 1091 948 996 1731 1966 1275 1135 1461 1199 1173 1311 1563 951 2563 1322 2649 1390 2459 1041 3685 7568 5479 2711 3287 20409 1071 1726 2198 1195 4067 2164 1211 1387 2262 2700 2912 2864 2859 2017 2159 631 octadecylglycerol 822 507 509 431 573 443 350 416 1256 374 353 376 394 615 493 499 175 561 221 1584 509 697 429 1238 346 253 502 766 377 817 483 1348 387 554 329 536 448 535 273 309 153 207 381 222 219 347 331 418 244 205 207 157 498 233 369 187 379 227 486 280 253 212 324 225 192 419 140 194 326 125 127 258 301 410 378 388 340 439 426 403 486 390 octadecanol 494 522 517 671 484 392 359 938 680 471 51670 187 672 415 612 367 525 3588 296 1557 344 425 554 655 576 280 464 501 573 654 580 859 444 559 441 477 556 615 363 665 526 424 956 557 366 624 500 890 840 581 518 764 537 1004 648 471 38492 303 718 275 503 472 608 520 491 640 384 716 785 339 451 441 693 384 365 686 583 417 474 649 495 626 N-methyl-UMP 1489 1529 3377 8614 1290 1147 7547 385 1029 3400 1553 5166 515 3085 3831 1009 4454 570 990 1433 2331 2199 3521 446 6798 3959 3356 3160 457 2467 1280 1194 4115 514 522 2143 278 491 2552 666 4917 8658 1025 852 3908 2103 1378 1182 1496 1250 1830 1980 2248 944 1369 5424 1171 1630 1276 1658 2322 4040 2123 363 4171 645 939 1196 1168 2058 776 2904 1880 1138 2780 1515 2334 2007 1775 222 1442 897 nicotinic acid MassBank 715 1024 1031 1031 947 945 682 1169 1324 860 691 857 905 792 445 731 1195 1002 882 1371 959 564 688 1041 599 413 745 803 788 1108 669 902 716 901 588 643 988 764 575 1717 791 818 655 875 924 1035 1006 964 1064 629 976 986 827 734 579 762 989 777 857 805 767 508 799 807 738 801 913 762 778 688 906 673 1127 734 742 631 742 857 1018 935 1078 1097 nicotinamide 10406 18146 18324 16701 18468 11791 20037 13270 11503 20242 3931 17259 11057 13165 19742 8779 20051 7856 15010 10887 16269 14021 14004 9149 13979 21336 17444 9435 16061 11503 17151 8451 6133 11548 12630 17751 17432 11013 10964 12419 14693 15672 12058 11751 22523 11266 10110 12775 16428 9557 15307 11653 12439 20779 8876 21596 12458 13728 14251 14002 17006 15572 12351 18844 19654 10285 16318 16855 10716 28314 14742 21531 9408 14123 14075 15363 13656 14009 15559 10108 16974 17020 N-carbamylglutamate 616 1436 1634 716 656 464 861 1289 670 444 610 230 518 1739 492 313 1028 443 3755 899 481 682 391 657 467 1842 464 754 1962 1202 800 482 653 557 2011 756 1505 746 499 1265 774 448 420 573 874 700 717 496 410 298 253 544 1005 567 172 512 631 1681 540 944 1923 622 320 720 1524 414 380 599 853 3316 693 1302 494 284 619 735 844 882 888 961 828 938 N-acetylneuraminate MassBank 2131 7141 2969 2180 916 2362 2779 3359 2328 4021 1931 2981 1445 2797 1927 2366 2311 1144 3172 2419 3433 2655 2777 1625 1360 6341 2994 1740 3221 2644 4031 1771 1458 1964 2297 3251 3119 3818 4312 6024 4516 4073 3940 5544 4823 4099 5183 3809 4302 3734 3333 3370 2706 3947 3624 4774 1756 2395 4282 2750 6931 3095 4280 11566 4859 2902 4228 3654 2883 7019 2702 7170 2861 3891 3911 4254 4391 4381 4119 3331 3855 3330 N-acetylmethionine MassBank 1469 2488 1330 1172 2256 1868 1273 1480 2168 2550 1806 1740 2249 1995 2109 2807 1455 2773 1968 2150 2500 1359 2456 2683 1969 2883 1867 2427 2874 1632 2003 2660 857 3036 3989 1793 3585 3529 1686 2687 1578 1224 1770 2163 1180 1304 1453 1734 1962 1185 2021 1193 1436 1800 1658 1620 2629 1232 1820 1068 2012 1482 1485 2345 1542 1787 2102 1698 3073 2361 2312 1935 1518 2008 1699 1705 1316 2295 2402 2267 2857 2161 N-acetylmannosamine 924 88 1118 536 1312 1158 635 1272 265 1830 1532 1224 469 735 624 1684 442 359 890 1013 1704 1212 1424 1529 971 784 1055 772 1084 582 1552 1369 884 940 1275 1666 1752 2382 713 138 830 261 733 1048 275 619 844 652 579 992 601 490 504 183 1368 301 998 913 719 607 1047 677 833 987 1085 715 967 468 159 626 980 966 237 543 510 1064 612 1066 1123 731 1134 1195 N-acetylglutamate 3120 8580 5615 9613 7944 4633 9569 5590 10179 13316 13632 9811 3116 5223 9567 7388 11097 4199 3437 8139 9152 11464 11055 5227 5108 8004 7381 7003 5464 8044 11316 5939 8739 6553 5060 7672 4537 4484 4195 4639 6469 6986 4556 2509 11023 4040 5480 5992 8340 7395 4859 3355 4085 8122 5153 10455 3371 3298 6450 4146 6919 3936 9177 3558 6377 5441 7317 7421 7511 8815 5082 6564 6384 4001 6484 7071 7277 5549 7529 6847 7068 6936 N-acetyl-D-galactosamine 499 711 585 236 717 324 339 238 426 903 261 86 351 329 380 325 161 242 446 418 236 568 703 781 583 593 494 334 288 446 184 611 112 462 485 324 840 429 294 437 143 94 215 264 96 100 285 323 398 228 207 127 159 185 251 120 471 296 181 258 209 120 169 280 304 393 208 187 389 643 298 282 228 270 209 586 203 322 201 150 523 552 N-acetylaspartate 485162 442570 738049 896402 799484 529323 925232 419455 916023 765644 636331 991712 381388 692294 747675 394155 1085977 340236 422536 731383 832367 1039985 805704 386341 655997 513871 868787 255818 620939 1175673 627409 366993 653385 650566 319492 591701 490339 251566 817970 584551 1054657 1209198 1050805 438985 1407862 684485 893601 1097572 882800 737495 947745 670527 740770 985268 557389 1493638 412516 288074 1010254 1174487 1011016 830571 1380440 169625 949995 910121 1069112 884793 457694 918352 757113 991649 998514 882633 730802 783540 767491 799528 803586 773390 669346 789770 myo-inositol 828147 822175 829973 773210 874336 753898 885547 1105760 1158010 847273 557755 834007 446901 844509 979972 823294 1060267 850374 821049 1172262 788713 178529 484452 853864 1005687 583096 792292 805744 1040220 992596 870446 938681 494612 789977 535133 849831 914929 779617 339986 841514 827330 763430 873175 701357 824073 1156094 1035181 996230 944220 655897 1129543 1088369 750379 748704 809385 766921 680324 939706 693937 843553 413560 372211 678101 528988 596014 590573 1087314 757387 863622 616452 1478116 708555 519354 866940 883548 874896 816050 867832 766550 720322 974757 843178 methionine sulfoxide 12608 23094 14161 4055 13379 23284 4778 28210 14313 14336 16775 4880 13561 12920 8054 15140 5837 18455 17536 14204 13695 15579 13400 25438 8994 14619 17763 10265 30258 8284 14670 15378 8249 16980 29747 12913 25600 24213 12888 41395 8580 4109 10513 30472 4816 13055 17099 11029 11760 12323 8375 7311 8721 8642 12989 4217 16790 11415 8420 5586 16779 5931 5877 31737 12108 11925 12641 9659 11240 14266 12091 14672 3842 6630 11268 11109 11438 15328 16181 16575 16254 12342 methionine 42762 67459 29035 13095 38760 56456 16016 46736 39284 60502 63497 30404 43491 44578 53940 81796 8289 49761 63931 32444 24750 45346 47653 77962 31436 101221 50325 50323 66599 23195 54330 59545 32472 53863 153060 68259 112229 81818 36222 30863 23917 11646 23762 59731 12630 18796 33938 20902 26295 31427 24801 14154 29231 38923 52416 11065 41832 32573 32393 16271 52978 25675 19727 88271 47453 41695 31107 24676 22143 51100 34457 71808 13706 24004 46008 46033 42258 46340 48267 39382 45759 42183 methanolphosphate 9139 7414 8820 10204 9327 7788 7818 11457 10090 8864 5625 7984 7788 8481 4076 3889 10104 5499 6882 9717 8526 8083 6318 7040 3951 5437 7003 2971 6941 9964 10599 10637 10516 7868 4611 6869 2258 7002 9840 4979 8213 10477 10683 7553 9826 12947 10301 9517 8696 4906 14965 9665 11349 9177 4577 10350 9852 4841 11911 8746 8689 7963 9109 6023 3812 8900 5588 6562 7911 8493 8506 2703 11731 7992 6850 8313 8750 8861 7751 8867 7454 8190 mannose 2039 13259 2547 2257 8914 14687 6373 11395 265 23188 52544 6281 273 642 810 7721 1395 451 60424 1020 15331 736 731 1097 2379 52818 2734 53 22918 646 11626 690 144 436 51723 18239 43733 19712 2441 19592 4685 3254 970 25896 1550 5056 2376 330 9107 14484 7481 892 1171 1205 9102 1044 540 47112 649 719 9118 2098 667 47516 4736 1344 3120 607 731 39031 5970 8189 533 375 10904 11783 11315 4700 12284 10840 12962 12604 maltotriose 575 306 2128 377 174 240 221 393 104 512 532 209 68 86 83 150 204 67 1134 134 92 59 81 89 107 809 72 137 184 78 375 115 74 41 203 151 233 128 313 306 566 322 182 445 183 275 389 114 550 498 332 182 133 110 179 190 112 1493 91 89 306 121 87 118 254 91 196 238 106 711 183 523 80 105 260 85 198 300 382 391 332 285 maltose 4065 1095 31636 1458 1903 1190 1237 2205 396 1445 2136 727 316 579 674 753 1225 257 5340 308 251 365 439 215 837 3255 473 667 1113 384 1176 490 202 317 1028 911 1347 830 3375 1101 11216 629 789 1791 1640 1005 1053 485 1714 1880 1664 1260 540 923 711 949 281 5706 473 287 1400 487 176 1097 1247 266 637 2196 579 1697 777 2262 278 427 1558 2199 1766 1839 1237 1886 1703 1563 malic acid 33636 28718 33216 26411 26416 17522 17560 34017 32240 17550 6164 24355 18684 23800 19895 27287 13403 28454 25957 37513 15747 30101 27484 48243 13198 1245 24227 36234 8779 29864 28801 38473 12382 29273 6164 26191 17158 67709 22000 11911 10434 20260 23151 14783 22452 24415 19446 26765 24021 8515 34157 25130 28662 28396 25758 21429 14681 9962 30502 32744 14994 19132 25767 29703 15323 21479 21801 26302 27831 13637 9484 8249 17616 33639 21201 22857 23138 22369 25161 22376 26845 24340 lysine 55133 118745 46741 23966 50249 56591 35499 97928 64336 78573 82841 48087 53067 39234 60117 88970 29030 60635 72463 73294 84508 95131 68850 166815 59394 119505 86314 62442 102136 52616 71818 106874 42420 69446 209311 70031 127393 142140 42801 63799 36391 26790 41199 61950 23064 40297 41210 43863 43306 41196 26752 28564 35183 48086 82557 22732 62841 34646 43601 28112 51364 42905 24598 88647 50770 70328 51317 31249 46106 41006 40651 57260 24999 33712 53189 75750 62843 68424 70955 64515 72200 73364 linoleic acid 967 833 1180 405 486 716 557 758 600 1868 4571 629 579 796 336 602 510 523 547 985 690 550 2097 841 276 500 521 418 899 1076 1397 657 804 479 586 859 1238 596 808 1079 807 601 371 1588 562 503 506 723 1615 3564 1523 461 679 704 1306 672 936 514 931 1068 717 507 562 1427 651 769 671 1707 586 561 1145 396 1063 642 832 925 838 978 943 916 849 973 levoglucosan 720 2499 903 730 959 1437 1448 514 837 3143 1836 799 476 596 672 951 454 523 1096 714 811 1261 1861 767 1258 394 370 1022 1872 957 2028 658 1050 794 1602 2151 2642 1599 1489 470 674 1077 916 554 985 552 1760 710 603 301 1245 1401 1304 1846 984 423 674 1462 828 5201 1961 738 1547 477 2495 660 930 2098 1051 4148 555 591 470 1023 850 916 952 952 947 1021 1819 390 leucine 424880 659256 270707 220449 380594 494728 233165 535436 410388 694169 667230 359540 272287 326758 435208 732197 168737 334183 653059 330713 604221 388029 466605 577171 412050 928282 529533 436900 583730 259513 532313 657514 299678 379791 1158182 616962 888273 676930 289924 503704 272654 184381 250122 391974 170151 295089 363068 221265 281827 321470 302628 161843 282648 343628 530604 139277 305209 375541 372295 180853 460909 329227 210308 611662 440508 392172 278561 240082 220374 411970 291567 519410 160507 234687 468194 461012 440306 452281 440507 346497 370084 343039 lactose 297 162 983 506 295 116 245 322 372 244 5284 205 115 172 171 442 1614 230 527 346 267 143 576 143 1737 402 271 331 1011 1063 286 656 77 151 266 475 294 221 188 287 442 644 500 302 289 414 241 466 364 5277 280 221 318 208 358 2432 289 644 246 1328 1295 553 168 219 1363 144 542 340 364 281 273 536 148 96 435 472 478 457 596 486 526 455 lactic acid 843421 1161604 811401 1224326 1284676 966972 1390568 1315950 931590 800983 1162660 1386024 462549 654161 576013 1123736 1078035 353961 990351 846748 1165062 903151 924393 832037 1008625 692464 966100 758115 1050185 1023632 1071244 1045165 799237 752685 739990 1246765 953257 936923 908144 270029 1118759 754307 1091500 909688 189292 629174 997042 785140 1311534 984273 174723 1007209 596282 710226 847670 1067990 361620 1310986 774939 166048 789858 997186 96372 918336 1125301 843964 1255224 912879 712748 1167481 1140333 1253955 597657 906114 957511 1007426 1096587 1064133 1072056 1078748 1152961 1088057 isothreonic acid 8432 8388 8380 7953 11416 4892 9916 4289 6210 10932 13029 7641 10380 12506 6374 10273 8261 6994 14683 7541 8676 8446 10201 10029 9718 9126 7057 11405 10182 8783 14199 5934 4615 6365 9581 10038 6583 9293 9239 7786 7994 10425 7351 13511 9042 7302 15674 10414 8500 12906 7446 9929 7814 8580 10516 9795 11104 12219 10483 8789 17253 7557 10231 8094 15156 9168 10301 10436 16079 14830 9003 11503 1808 6362 8606 9690 9677 10210 10342 9269 10302 10409 isoleucine 176765 280335 123108 82390 159833 208071 104158 260972 192837 247623 238486 119811 132308 148319 168792 306726 52377 152214 225820 165484 228780 178920 183267 300272 137999 300137 189695 180822 247859 112372 234663 290452 133440 208564 480161 230849 370570 328284 142285 234331 97659 76788 97715 206806 76469 109191 163227 98104 114974 127151 92382 68081 111130 93012 224571 66428 126762 127432 144690 81031 202216 116328 95433 289871 182566 189497 143912 100977 92671 188513 138047 218304 64874 102692 178212 178290 173298 189586 193035 161209 169956 159676 inositol-4-monophosphate 3105 17686 8793 7556 9236 11330 11713 8859 3914 16567 20041 16777 4317 2738 5084 5680 5203 1500 20535 5892 17635 2898 9579 3030 11004 21792 8821 2321 20284 2283 17009 810 4013 1669 16770 14444 16266 3257 4640 5066 5394 5190 4500 8384 4417 3012 5478 3496 7144 10766 6313 3955 3464 2971 4704 3600 7129 5988 2020 2139 11109 4938 2078 6101 10513 1646 7496 3078 1744 29296 4318 13162 1971 1381 6171 8801 8394 8543 9421 7618 8316 8329 inosine 26023 51156 50541 74817 61425 44502 88695 39203 24615 82134 69905 101219 28482 31111 31123 11865 115456 10819 51550 32387 59936 33130 45149 9025 40359 73447 50189 14865 63691 37673 51086 13992 18770 26531 12704 38798 30871 5015 43431 78773 104481 98425 73840 56833 124103 47659 53322 53972 93097 87885 113199 64075 33974 52200 47471 155514 34266 52776 45026 66175 114372 70899 68218 27466 101857 23495 84873 69392 38189 123751 89386 104714 67890 42495 48090 41923 58643 62336 62930 54655 62996 54557 ile-ile 562 3706 1268 545 662 804 654 595 913 2318 4207 917 392 615 285 453 210 239 4355 341 1124 466 611 176 336 14414 324 290 5729 403 760 300 168 552 5932 901 4544 432 525 703 790 354 589 1059 322 532 467 312 706 960 871 543 550 337 381 336 385 1198 262 263 1645 338 339 329 1303 202 285 403 355 2378 991 631 153 361 1351 1132 1318 1469 1493 1399 1390 1229 hypoxanthine 178264 208687 177556 131228 274890 149843 110002 203496 234530 217527 136520 200265 195611 252867 273608 236175 131199 211405 126750 236462 212288 321275 206395 244329 205716 179469 264918 207864 186197 240223 193180 220888 204645 304805 217231 247713 213421 263891 191143 70003 133692 131951 205214 136863 140380 156094 211520 245485 178210 138725 174058 186767 176999 308091 224934 182100 260821 127302 235192 289697 191980 182941 281693 269779 174659 298946 218306 214789 203694 154621 187055 166666 191614 280684 190679 206079 211585 221819 226783 214817 211690 199296 hypotaurine 600 3556 3608 2539 3771 3223 4232 3806 1968 3951 2133 3596 2376 3046 2567 3696 4732 2575 6911 3938 1895 2384 1694 4321 2629 3645 2114 4973 1773 2231 3430 3489 3036 1909 1472 4044 3159 5954 6613 2421 2735 2272 2878 4554 4378 2682 3689 719 3211 2707 4724 3018 2077 1812 2060 5038 2434 14632 4626 2565 1687 1677 2316 2616 2063 5378 2535 2237 9103 2696 2295 3204 3804 1495 3344 3585 3532 4068 4077 1886 4352 4058 homocystine 110 126 358 214 265 152 192 170 151 204 808 405 422 369 181 354 354 321 255 115 227 221 902 102 421 335 362 409 122 349 238 284 224 312 397 278 192 305 257 196 741 753 186 289 449 236 433 272 226 1241 238 281 415 264 974 814 582 272 539 592 339 473 424 515 409 357 357 1390 499 442 596 1570 488 373 410 470 521 529 357 377 272 259 histidine 16738 35801 21286 8075 17128 34549 6187 34051 9349 23041 38049 18116 49532 34615 12151 59511 5435 30660 60642 13103 19698 18249 34205 14466 15896 74361 24854 92964 48509 23160 26740 27204 25138 44002 91498 38210 62117 50940 32487 14841 17666 10154 19087 25390 22337 9681 27269 15872 19053 38402 13329 18365 24678 21152 27003 7946 64706 36134 26751 51631 38748 16029 19034 66425 40431 38785 16050 49071 91675 37849 36836 82567 15335 27878 34611 23608 38344 37751 38885 33984 29676 21330 heptadecanoic acid 8674 12991 9096 8595 11559 10738 9268 13948 12537 12633 19619 10202 10705 8172 20266 11875 10235 9830 9957 17101 11250 12047 9424 14930 22908 7527 10263 19644 13575 10215 11591 14370 8407 9193 8105 12823 15647 13530 7983 12776 8154 8255 12316 11682 8727 13574 12079 16403 2333 14532 9609 11291 12202 9172 15698 10520 14511 11566 12745 9766 9560 10591 11359 10067 13460 12341 10455 9729 10537 10053 8691 14938 12539 10173 11766 11191 10239 10401 11793 11113 11632 12517 guanosine 3145 3198 8706 6240 3756 7871 7000 3267 2624 8382 4392 8317 3035 2756 2737 974 4704 1223 4629 6150 5072 4155 3142 1054 5426 7481 6015 679 10930 2378 6077 1993 2073 1757 700 2948 3111 492 6760 3733 12267 5093 11750 4091 12339 8192 8551 9857 10802 7468 9673 7832 10853 7376 4091 17223 2891 4346 9944 7290 9096 9209 7409 1182 7490 3252 8503 10425 2852 8720 7280 8406 12348 6820 5083 6724 5995 6185 5659 5762 5850 5407 guanine 2142 439 9403 5056 2361 10611 1922 346 1512 4479 966 4682 197 1021 645 731 1478 827 1678 606 3201 10442 2407 782 6151 2650 7438 534 5929 384 4248 856 8396 1407 971 3291 5508 330 215 155 323 122 156 84 161 431 222 255 373 102 167 248 117 183 121 427 171 91 286 209 108 87 161 111 116 153 94 124 58 100 199 60 129 157 1557 1738 1887 1943 1902 1666 1694 1720 glycyl-proline 763 4763 1210 478 1279 2121 664 2604 496 3350 3411 983 684 669 648 922 461 484 3408 1164 1214 490 1026 896 872 9900 1342 877 5126 1115 1433 544 287 673 5316 1982 5632 1046 456 4030 1056 458 1462 3175 605 651 1321 663 1269 2128 1360 822 732 1061 1321 508 719 922 790 1160 2743 1102 468 2203 2252 818 1591 705 653 3780 1149 2957 299 627 1197 1539 1557 1663 1622 1482 1498 1497 glycyl-glycine 4291 6063 4812 5476 5076 3537 4999 5509 5230 4741 4313 1160 1037 2925 3280 5648 4227 1482 4206 1869 5574 4319 4931 4119 4122 3417 4238 3411 5249 2919 5448 4775 3232 2926 8631 4848 4770 5743 2958 2811 5412 3531 4038 3870 2812 2479 3129 3310 3834 3644 3640 2312 2634 2823 5329 3533 321 4089 1767 1719 5420 3348 2266 4549 5601 1936 3900 1754 1919 3184 3438 3210 1598 1836 4055 3772 3967 4363 4423 3410 3173 4411 glycyl tyrosine 1291 3830 981 997 1156 530 1228 771 635 1531 859 1236 349 1456 2782 1740 825 574 1194 2694 2857 1559 1150 1441 2356 2715 1543 828 1468 1553 2562 2360 642 800 3923 2386 1054 1587 490 509 534 477 243 461 481 320 283 323 385 330 388 135 274 658 824 518 249 474 509 415 839 1074 528 295 1181 540 480 205 94 658 294 727 205 409 1417 1105 1224 1153 842 737 755 743 glycolic acid 1641 3595 2520 2048 1425 2553 1983 4028 2535 2780 2583 1598 1868 1229 1276 2003 2626 2272 2052 3222 2054 2333 2237 2795 2437 1307 1079 2016 3367 2132 2892 2345 1310 1925 598 1756 3076 2737 2246 3244 2036 1398 2525 3153 2636 2230 3032 2739 2971 2091 2441 2506 1704 1726 1735 2066 2459 1779 1377 1965 2495 1754 1876 2239 1543 2990 2357 2473 2848 2139 2817 878 1600 2236 1844 1629 2184 2554 2437 2681 3235 3435 glycine 229454 204990 169588 111307 205056 167268 114806 211841 190870 162578 157569 139453 220660 178153 178699 225946 88198 204035 155817 196190 168298 215531 169803 297544 169863 157009 178979 204425 178926 123238 177303 225393 148601 225283 225399 178616 261439 284452 160015 185358 116495 88164 143433 180148 128308 127686 156428 60474 80924 125296 136952 162957 141194 196577 194077 95485 246235 129232 194120 188675 173447 159026 166045 272670 154623 253939 157683 126361 180354 129131 149906 156941 133770 191576 157874 179507 180793 188180 184403 173456 191624 182890 glycerol-alpha-phosphate 103438 51666 150015 144572 83938 77784 138584 32528 28514 77204 28267 72205 47016 150582 19242 27773 146438 18837 114934 36776 59980 84618 70431 26491 110128 96662 73251 22255 77534 73256 78928 17356 58466 43885 38407 41856 32026 22440 178265 75049 189159 149872 89800 101361 189501 119951 67149 52075 70120 43609 76670 163797 180211 31157 33879 134961 66768 141093 65385 56638 198519 164252 76183 67451 193970 45140 106209 120437 37684 140159 108445 55909 82243 36726 78908 90558 90340 89444 91176 88487 80391 97494 glycerol-3-galactoside 1199 1150 11679 1484 1709 1148 1218 940 585 1518 2166 963 1182 771 644 981 2041 649 1774 782 900 654 763 724 1496 5912 1140 988 937 550 976 622 498 818 959 812 1309 1083 1917 1380 4640 2138 1069 2004 3059 1036 898 545 2998 3510 2010 705 661 907 1451 1830 1701 2677 388 829 1484 1355 780 2775 1292 854 1190 1235 891 2327 1455 1854 887 787 1395 1579 1502 1573 1304 1542 1552 1566 glycerol 239224 208318 351563 244555 436640 400157 336150 572665 402466 430095 502755 357836 534546 321817 381556 530965 202490 408489 123956 432705 424673 416256 585348 448598 427468 372459 332184 467726 433710 374322 470225 527876 733102 448371 431584 512338 673303 568828 384360 474223 306958 269290 408346 416177 300694 316648 418179 363052 399677 542457 309471 277641 348044 449963 458277 261675 554731 426671 435553 478540 434497 425896 378196 98248 427657 548305 500195 601679 500479 415791 484077 460796 530099 500571 444633 461396 453769 461575 464089 449788 487553 486000 glyceric acid 6797 11250 5490 5295 6530 7926 6930 12838 4359 10175 7920 5881 4646 3646 6909 6162 5309 3543 11448 13943 6893 4147 4407 5688 6914 18637 5931 14430 10230 3488 8395 4685 4473 3197 8038 9027 8985 7820 6063 11457 5675 4442 5794 11587 7362 7301 7920 5555 9945 8012 8092 6356 4969 7669 7470 6060 775 6401 4833 2675 12014 7187 4759 21543 8964 5363 9057 5999 18647 26281 6968 12425 4502 4699 6694 8204 5906 7955 8143 8381 8625 9224 glutaric acid 374 590 562 481 360 426 357 853 788 374 377 188 465 176 171 296 540 459 354 807 453 134 292 467 351 370 293 832 513 352 21 421 301 132 190 374 453 568 306 485 166 391 494 524 433 261 463 560 533 302 431 610 58 268 325 344 503 387 463 216 316 84 353 374 322 355 360 370 772 372 512 327 342 285 141 297 102 408 137 569 302 731 glutamine 702970 590937 814877 549944 706735 934190 836245 549351 280336 629946 1297588 419134 539545 993312 295503 801708 403561 512657 1463673 385632 393273 545164 1424256 255746 369693 997563 430672 1887323 757567 714528 875147 380020 637852 470916 530315 724910 454367 139078 1120813 565643 880938 667542 732705 879953 1549290 452526 619455 459627 797268 1594812 449246 863014 1028280 645729 725041 434501 674423 2327623 623084 1100217 895214 560521 504053 717486 736198 374055 555971 2038197 2014865 611152 1194780 701798 629888 555678 720988 628843 766668 784291 860564 863677 805843 749056 glutamic acid 1353668 1147507 1378902 1574036 959736 1221331 820352 1235175 808773 582287 939035 1635759 794748 1305829 1517960 1278499 1159042 1206043 1315193 596947 1319658 1305956 859398 631345 1482196 1258223 1654604 923354 1163337 1300418 1129976 670018 905532 1070899 1152899 1196916 996989 1400955 1411462 1343969 1472485 1563930 991410 1145145 1302209 1248121 1087497 1302375 1286616 1036657 1723148 842584 1307511 1469652 1279067 1481211 713322 911034 1374909 1426471 1767723 1693526 2192617 1496254 1680862 1430952 1209360 1055374 1054689 1551919 997839 1836024 1446207 1288695 1539123 1554757 1488074 1091560 837738 1043191 978396 1395535 glucose-6-phosphate 5042 10026 5377 18336 7077 8018 20508 7956 62 15711 14299 11963 386 850 365 4067 13279 691 12309 772 7678 44 4628 1208 6260 21333 9234 70 1006 62 9209 1475 661 87 3341 6047 6340 3746 4782 1930 1817 23392 5200 8057 29158 6380 6551 1705 20846 13985 20397 74 2971 4806 7741 828 47 25371 78 70 9600 4755 486 18615 9713 1120 7823 3740 1073 28761 10365 13210 47 83 964 7592 7187 7594 7822 7050 6434 7017 glucose-1-phosphate 2596 2876 2479 4331 3738 1954 5384 2662 2281 2386 6008 2935 1589 4254 2510 2423 4367 1979 2745 2708 2302 3165 2201 4185 4173 3092 3434 2455 2447 2407 4659 2918 3078 2833 3059 2683 2085 4450 2442 4079 2795 8511 1639 2651 10723 2162 2653 2284 4731 3387 3325 1779 1798 1867 2009 3656 1759 1414 1939 1748 2931 2488 1976 3681 3445 1830 1797 2073 2266 4759 3286 2814 1746 1490 2972 2960 282 1829 602 3019 3183 3448 glucose 2755 17891 31362 1454 3657 7206 3918 11535 668 6315 17280 2542 315 230 232 162 1635 571 131239 33 5610 551 427 119 1184 59804 849 326 22343 100 5866 326 237 448 15849 9859 53783 19564 2524 14438 10507 2408 2439 13134 3951 4508 5211 583 5143 6716 3309 631 634 579 2423 343 470 43473 437 233 9932 1023 264 11727 9471 889 2502 546 373 117350 2272 7466 323 322 8852 9616 9484 9356 10295 9932 10096 9971 gluconic acid lactone 192 705 656 282 469 475 412 481 204 666 842 422 100 142 177 360 268 108 1115 208 554 224 311 152 449 1288 310 475 689 116 616 233 62 71 734 1739 1188 826 233 1039 679 351 1061 642 554 538 430 322 435 542 537 178 366 288 334 878 114 1036 236 633 961 592 434 799 431 309 870 401 5033 1140 403 4971 392 158 555 630 581 728 671 674 749 812 gluconic acid 196 2594 2438 923 1966 1864 1044 1777 351 2519 2215 1628 378 502 661 826 838 288 3467 422 1918 857 1044 518 1217 4575 1162 1842 2692 685 206 1023 371 337 3363 10572 4868 3135 1575 2650 2676 1110 5292 1634 2128 1751 1637 1363 310 1889 2083 556 2293 1060 2552 3683 326 3887 854 2651 3706 2419 824 2260 3513 885 3233 1293 21194 4523 1642 25581 2596 764 2324 2576 2492 2663 2791 2443 2691 2779 galactinol 257 248 1554 496 509 198 340 233 144 252 152 303 352 228 168 168 382 183 573 178 300 256 111 192 268 485 189 133 427 168 424 119 103 207 175 199 191 286 436 329 609 406 343 438 508 347 358 272 468 183 410 350 229 244 163 302 346 418 313 95 587 350 224 448 456 264 422 183 221 596 472 206 209 219 251 318 273 341 416 363 476 455 fumaric acid 30653 16065 23262 24003 18163 11702 14720 23357 21028 16296 7198 19734 14442 20957 21945 18134 18168 18508 12744 30924 12955 23017 23526 27671 15639 13206 19212 29766 5984 29864 23763 36228 12587 23306 7029 23201 14299 44083 17656 8931 11643 16397 16985 11309 22655 27733 15891 18549 18995 7571 23851 14862 26857 26273 19283 17624 10456 7832 30436 28041 10962 13887 20019 18562 11089 21110 12602 18979 14705 9422 9567 8160 14585 26569 18792 19995 19597 21213 19781 17758 18389 19088 fucose 2219 3498 3432 2141 3905 3502 1731 4574 3004 3490 2451 2302 3306 2002 2975 3793 3076 2948 2653 3360 3353 4115 2971 5857 3192 3014 2738 2895 3506 2429 3552 3033 2619 4090 2561 3696 4416 6241 2705 3524 2370 1777 2444 3331 1845 2319 3653 2611 3348 1805 2274 2047 1895 2714 3279 2316 3465 3254 2566 3035 2810 2129 2647 2507 2603 4296 4180 2706 3736 3818 3247 2667 1622 3292 2403 2612 3251 2595 3645 3402 3093 3680 fructose-6-phosphate 3342 5718 2670 10236 4242 3693 10875 4493 555 8421 8404 5888 473 743 1645 2379 7476 131 6545 292 4507 362 3551 1050 4039 10280 6014 285 3189 279 5793 1112 916 486 1805 3709 3079 2030 2923 5084 6863 13432 2946 2964 18674 4647 3771 1355 13132 8172 11348 407 2352 2837 4703 623 396 12912 201 160 4903 3125 425 11072 4676 799 4204 2811 833 12530 6046 6766 2172 185 3476 1128 4498 4759 4493 4092 4000 4453 fructose-1-phosphate 272 296 266 1808 199 147 2078 356 210 588 434 413 543 139 206 160 5274 140 523 2283 254 90 242 83 304 498 416 193 170 214 211 71 115 232 82 111 137 70 801 579 2484 5596 975 279 10809 1648 373 365 3659 856 3474 291 735 738 510 12395 598 960 235 313 1241 1120 316 2889 1205 288 1215 810 416 2078 1066 2466 4059 181 1174 1183 1021 1288 1282 1084 1240 1358 fructose 13012 84877 20679 9958 16469 17752 26074 33703 7390 30234 30442 10210 1496 2494 8799 10589 9641 954 118296 10208 23508 3306 6581 4820 17279 111798 7262 2496 22470 3605 35643 3221 2083 1106 16070 23877 17094 6631 18637 43366 29837 14206 23029 32667 43685 25691 29334 11298 37676 25566 26600 17689 12517 15921 22330 7097 2728 30824 8198 7356 35223 17424 5368 25930 34040 5433 29652 25348 3706 164907 18734 27840 12575 2993 20936 23030 21376 21399 24419 22946 22965 24076 ethanolamine 413281 284029 243773 132252 282129 247335 186585 494382 430600 305616 196872 244733 346757 283691 409164 459534 132519 503779 204602 325403 289732 398774 260763 666531 244852 227948 228560 432930 366515 293470 283947 541767 179427 509110 349683 331835 414611 699975 293547 340978 159026 131231 251719 352823 204519 232376 370164 374627 330013 220097 187332 232991 332826 595543 360552 164881 472211 323595 383806 380826 392153 257488 312147 234362 364938 665253 415560 291329 535326 267438 231538 424633 250042 593466 343303 358016 350777 359715 362012 390105 416482 408174 erythrose 339 861 312 376 498 547 308 491 463 760 528 256 452 311 427 559 539 401 949 655 376 402 369 795 373 1711 525 797 574 249 597 457 229 382 1056 477 973 996 979 1280 392 232 465 370 463 629 456 546 662 533 402 216 436 667 1190 361 514 562 355 847 678 539 428 1517 630 856 399 915 1163 583 386 946 681 640 571 520 638 655 627 649 782 707 erythronic acid lactone isomer 1651 1363 1538 1880 1616 1415 1597 2394 2065 1509 1398 808 858 1071 1134 1037 1675 669 1543 2252 1129 546 867 1340 1742 935 1373 2202 1807 1734 1935 469 783 646 911 1408 1026 739 1280 1604 1136 942 720 1850 1332 2261 2095 1853 1610 767 1040 1426 1530 1187 1106 1471 1005 1106 376 1328 1402 1465 1050 756 1222 1034 379 858 1773 1134 1166 969 1024 793 1321 1601 1075 1584 1722 274 1835 1838 erythritol 38428 68897 38039 38458 67633 30322 71650 63487 34029 64892 56683 25555 24617 56623 30102 33115 38730 24216 91534 28383 60564 24621 32863 30292 41612 78514 53419 49844 49966 24865 64240 17034 15985 17280 58894 38377 61714 23979 46650 50177 44964 48261 37439 47504 60369 40898 71282 41554 40841 52341 24812 56381 39087 34188 37168 3316 24566 5200 28545 32339 77989 32686 33044 32850 69965 27371 75659 41867 54681 111763 42679 47299 28667 34403 40259 43562 27853 46084 48929 45519 50982 49119 dihydroxyacetone 23478 3997 21664 1882 1989 1193 24414 31935 23327 10923 1711 2878 1850 19680 11820 4162 20317 1035 23768 2419 3183 7927 2267 9978 2169 19279 1391 22219 25912 19698 27399 1383 15448 1111 20602 4959 3260 3462 21855 9060 20293 3286 2110 26917 26644 3085 28861 2797 7933 4125 6815 20910 27760 611 13589 19939 1454 24925 13154 18640 15139 6360 2160 2874 27473 2318 11288 8951 22978 22794 11609 8025 16780 3050 1769 1873 3402 2731 20938 19930 22024 1949 dihydrocholesterol 3010 2714 3024 2590 2120 5056 2734 1530 3149 2542 1799 1968 117285 1381 2697 1143 3112 6754 1187 3170 2070 2916 2013 2576 3124 1008 2019 1984 1480 3285 2076 1505 3300 5055 905 1269 1265 1298 3072 1858 1931 2616 3311 2756 2005 4613 2215 2780 2664 2104 3603 4003 2933 2979 2733 3296 3779 900 1203 2972 668 3302 2768 3017 1220 1797 1501 1930 2332 1229 1746 875 4935 2825 1949 1787 1993 2413 2033 2618 229 1931 diethanolamine 1558 1552 1424 1463 1455 1288 1738 2982 2157 1673 1775 1533 1612 1494 5162 1524 2099 1538 2172 2184 1291 757 1022 3834 1225 1130 1338 1775 2508 1777 361 1563 2135776 1382 1791 515 1143 1218 1352 5009 1654 1361 1608 2014 2582 1777 2459 2552 1871 1378 2006 2022 2096 5346 1286 687 2079 2320 1826 1424 2056 631 7576 1105 2292 7308 1404 1349 1801 1647 1811 1656 866740 1386 51998 57579 58452 61679 59479 61370 69688 58906 D-erythro-sphingosine 950 3570 1388 344 1991 3718 763 1590 797 1762 1900 1257 450 909 533 1145 453 604 2087 633 1997 582 1023 774 1217 2269 899 1683 2755 677 1384 1113 1769 438 1583 1406 2429 3726 956 2773 934 856 1114 3162 450 1415 1138 691 824 632 1142 713 948 393 959 326 513 4769 549 348 1167 1005 518 1002 1301 504 815 474 1352 731 361 1007 721 584 988 1045 1083 947 1022 1250 941 170 dehydroascorbic acid 65574 115724 130918 223830 138739 49306 178562 27649 63095 113516 63654 143319 72448 75309 39062 81514 110319 89143 60620 110654 128663 163658 92579 90987 86397 65624 45486 38641 97124 162070 62546 82351 1129 90466 34757 29708 49762 38269 92061 74024 125022 149197 87531 31100 123229 33300 42194 76070 67156 49869 104469 127063 65625 31401 51483 84770 74444 32039 50764 88403 99317 72418 88658 9752 111113 78591 111678 75275 41797 63480 88122 57985 24331 84586 65938 62758 59299 68423 71325 64374 74928 72953 cytidine 98 204 86 127 150 106 73 105 142 234 347 180 1114 83 63 144 81 101 209 144 451 256 77 74 157 1532 167 246 451 202 199 249 191 328 125 144 75 57 125 200 109 153 105 72 136 162 93 202 89 271 191 68 127 108 374 158 215 146 366 694 1101 269 466 203 705 159 235 214 375 982 360 632 280 1403 220 266 331 230 281 310 241 142 cystine 19344 18335 3423 2638 6498 2221 2364 9140 4133 10509 3317 6319 16907 11374 1595 31344 1413 11044 16659 3068 14191 3852 8666 8268 13647 19288 14777 17607 11594 1092 9668 24173 1573 14359 36083 7803 11169 24463 17768 6734 3792 3187 1480 5841 4009 5210 3007 3568 4257 3126 5912 3217 12416 4110 27403 830 12683 12492 3530 5094 14938 6602 6443 33782 14376 20514 3912 5809 7309 4593 7085 7593 1115 12779 5643 5373 4533 6430 4612 4739 3148 3542 cysteine-glycine 685 1861 1303 564 614 632 264 694 487 1771 2280 1709 325 717 699 365 244 277 3708 380 1110 354 444 350 666 15555 422 350 1654 389 1160 362 543 477 3213 2795 1733 586 333 287 2314 1718 1033 470 1065 470 648 326 600 906 1363 596 602 836 317 625 462 685 1162 566 4141 777 380 289 3757 311 237 398 261 7444 1251 2688 401 276 2055 1768 1839 1942 1839 1216 1210 598 cysteine sulfonic acid MassBank 964 794 1295 462 926 1507 683 908 1230 843 1085 583 1117 1256 640 1085 555 757 681 738 747 1740 705 1375 930 437 324 1135 657 794 274 1093 884 1087 846 1208 1341 1139 1100 1206 1010 823 2029 861 776 466 1899 876 539 948 94 1248 910 2092 806 685 710 352 2113 1442 997 959 1224 714 893 1592 429 1206 1016 1393 761 658 1539 1115 1034 1329 1345 1557 1503 1565 1551 1413 cysteine 11033 3519 4439 7633 7887 10090 6399 2323 3400 13186 12696 17594 6022 27526 53913 19554 464 3913 12829 3187 18854 9883 11046 5948 11166 17680 22343 15754 2913 8436 8724 10875 19606 7027 27175 27837 16165 6332 11535 195 14677 6297 6744 3217 4694 5362 8338 2894 1953 10275 5879 3633 10796 31185 8196 7099 3518 9292 21545 15201 18278 16015 15291 4959 15330 15768 3505 15261 2721 18187 4645 40570 30462 10168 29882 16445 15412 15523 12237 6929 6475 5627 cystathionine 9344 12273 6804 6729 5033 6761 6394 20806 12829 11273 71916 9801 52769 17238 35177 27764 11081 6585 23841 8671 7437 3689 87180 2300 11226 14161 30849 21901 6203 6110 6071 6403 15240 8289 19716 18909 8202 25757 44425 24919 83904 281148 10361 61851 44811 25906 48580 17065 16386 229829 13573 13989 17679 56145 229616 58203 66620 78103 128536 30983 22784 54775 23741 77871 22127 18843 33802 269306 68443 46860 86079 371745 30253 13492 47436 37822 46912 47428 42106 33021 25984 23207 creatinine 658488 774256 917539 1171083 953320 729965 871260 576408 872928 1144747 752689 1102869 457717 645283 1068563 710804 610750 497167 789257 888826 813269 697777 921829 483826 951557 850433 899463 628307 742092 894983 686152 621557 552272 636810 571871 840139 551956 495725 598135 97393 684794 628180 554742 509249 735565 477400 448152 443864 558223 485143 707630 497097 619385 633213 481225 760792 422867 662002 495850 710824 719797 720525 479935 534611 668785 416755 538297 501856 361589 509185 455250 573182 319660 569716 779554 706490 725395 628248 717514 675491 697415 624665 conduritol-beta-epoxide 260 4029 11970 2658 1520 98 351 1672 466 2566 453 385 1405 10813 321 556 1091 783 4194 520 215 778 576 371 2167 697 3324 6265 1650 2689 3759 993 249 837 233 188 1138 289 353 3879 7008 2191 787 1051 326 839 853 279 1694 495 638 342 3989 263 577 1679 1928 1793 308 2160 1766 1201 477 801 1513 101 497 1731 4821 801 7930 92 246 565 1554 1643 1729 1770 1810 1800 1921 1978 citrulline 6625 10732 6287 1609 5778 12353 1575 16710 9330 6230 9551 3037 13953 6583 3944 11248 2691 8968 12363 9063 6185 8387 6020 15294 3734 12704 6019 7818 16005 3405 7665 9174 4452 10693 20916 7785 32475 11847 8065 32190 2670 1863 7677 14269 3151 3943 8581 5781 5295 6388 4124 6262 4542 6951 5328 2013 12777 5329 6279 3095 7989 3628 4011 26504 5869 9091 8848 6499 10129 9461 8465 7007 1624 6094 6208 4946 7276 7246 7953 8642 9269 10818 citric acid 18012 4514 27243 32679 12058 8190 4742 19611 14664 9507 7028 25469 5160 7809 3371 7173 10137 9142 6847 14103 5125 6397 5971 5923 5741 4480 7288 13471 3892 13553 16338 14056 1736 3803 2820 2695 10960 89139 8143 3602 7206 12139 8435 9810 14379 14690 13506 11036 11315 5222 16157 15371 13710 4734 3810 7519 5811 2793 10218 10614 6249 11969 17880 7601 5361 8977 15724 10284 16341 10848 5699 2619 3532 3668 9850 9132 9681 9770 10979 10577 11124 10760 cis-gondoic acid 322 369 367 329 317 369 243 119 393 376 651 311 232 399 255 256 478 478 174 532 310 414 467 566 314 244 332 347 260 328 487 327 249 94 233 268 226 253 22 425 171 216 184 239 159 282 174 397 324 457 210 242 178 173 154 137 821 148 202 254 153 193 237 244 186 231 138 216 217 163 309 55 280 168 310 265 275 293 54 288 115 216 cholesterone mino 321 415 419 508 386 641 407 1191 398 302 249 325 940 433 532 245 750 576 217 611 469 259 364 414 429 226 583 1480 422 466 328 387 390 596 240 273 260 315 362 334 269 401 461 69 358 564 498 492 457 285 541 551 297 260 358 441 584 221 491 454 329 522 454 306 347 334 414 338 467 199 316 307 414 461 337 346 436 349 344 399 274 408 cholesterol 3230874 2173690 3314104 2959222 2418249 3667556 3221261 2008098 3184611 2363623 2050304 2359190 5656107 2934988 2831187 1416649 4342206 5190493 1425282 3548932 2339010 2699848 2309122 2918475 3096622 1244650 2627091 1990327 1984860 2933055 2177508 2936655 2989737 3748920 1098065 1932787 1430164 1840234 3001831 2883401 2788838 3417767 3706630 3451932 2860716 4906006 3413789 3918445 3205003 3029682 4027520 3977041 3779014 2799096 2888694 3310730 4719380 1486828 2848860 3491297 1625357 3575236 3421308 2633975 1876594 2343300 2194547 2327381 2574294 1499057 2686445 1395936 4391599 3956544 2338641 2429467 2481374 2473654 2608911 3077030 2547818 2485568 caproic acid 549 3375 471 628 599 716 446 2210 720 1205 696 607 875 427 619 478 1938 799 458 1324 659 1542 1502 1044 826 490 430 916 2380 782 762 549 462 806 681 512 650 549 1673 1865 625 707 738 737 622 748 2734 918 773 713 3576 1230 1495 552 659 1157 932 524 602 2227 1912 543 586 751 503 1307 809 601 1597 600 826 637 1200 805 522 530 607 551 866 935 808 1102 butyrolactam 23345 19201 41477 64072 52351 33362 48285 42654 59872 58062 29425 91465 85166 38749 39316 16431 84527 62619 24675 49966 37497 71647 65248 64226 45688 25152 65710 88440 31714 120406 35904 40683 71545 100124 14764 55279 64474 34257 12789 21355 26359 18619 22344 17816 36300 9926 38001 45962 38008 57591 50398 17000 23644 34839 45709 43565 103101 24164 40584 126354 27439 29428 66526 30212 35283 62920 24659 22874 53093 13857 51052 76238 54998 67134 53224 46336 54181 55225 43711 39193 44043 44758 beta-glycerolphosphate 4078 701 3392 3022 2436 2041 1929 1629 2168 1828 374 1089 1333 2827 727 760 2190 923 2737 803 1498 2434 1673 1831 2292 2080 2291 952 1899 1611 2023 1145 1333 1229 1226 1347 1819 824 5649 8605 2851 3701 1609 3709 2528 2915 1635 1402 1990 4180 1422 2877 3058 1031 1317 4628 623 2791 998 677 4812 3902 2373 1147 3486 879 2486 2306 985 2508 1228 988 2120 947 987 1478 1258 938 1972 1943 2099 1399 beta-alanyl lysine 620 2606 828 481 681 1608 445 1032 266 1992 2262 633 296 503 621 1259 380 144 2144 553 1716 455 835 227 639 5697 854 349 2487 322 1298 539 498 442 7652 1580 2851 1169 1281 1858 1137 578 1012 2149 527 866 1181 605 912 816 710 486 634 888 1912 677 159 681 618 398 2359 945 548 1511 2244 504 859 523 445 1934 476 1942 586 622 1273 1400 1373 1271 1035 869 1095 905 beta-alanine 3020 2483 3277 2667 2360 1235 2766 3873 2317 984 911 2341 4060 3044 2098 467 2915 3677 702 2574 1732 3905 2411 3408 1284 1303 1526 1622 2207 3875 2282 2115 2268 2664 1630 1681 3565 5728 4527 4316 3545 4655 3324 5745 5858 3072 4834 5042 4130 2352 3648 5761 3233 6706 2397 5879 4740 3168 3690 5687 3677 1948 3481 4077 3297 4983 4960 3557 7109 2359 3546 3877 3597 3117 2588 3256 2898 3584 2541 3395 3812 4211 behenic acid 1115 838 1302 1038 1315 2021 917 2881 2003 1630 2037 1552 1639 1317 2610 1693 1826 2508 801 3790 1004 2104 989 4119 3138 755 1349 2957 1983 1477 1656 2835 1808 921 1265 1885 2043 2576 811 1305 979 941 2074 1597 1198 1563 1279 2874 1565 1456 1397 1562 2033 1070 1678 1218 1809 855 1699 1344 954 714 1162 1479 1042 1706 1287 914 1997 914 851 1383 1571 2052 1322 1407 1182 1415 1446 1394 1605 2353 azelaic acid 552 711 967 707 606 394 384 739 952 828 1682 675 510 328 406 294 569 482 286 706 711 691 435 543 398 638 383 506 787 149 159 701 450 452 108 711 939 1010 537 1203 704 552 126 154 585 3061 1151 213 1016 599 460 723 339 342 403 692 125 805 592 239 645 485 212 567 253 395 473 697 159 534 932 612 395 417 688 426 772 201 964 823 760 310 aspartic acid 346787 252333 205006 113507 350852 254493 174034 381216 352084 230776 194385 197909 542958 413684 512143 487594 194690 320808 222001 280335 380764 429746 234603 748324 315434 286108 466130 219411 275632 219798 176762 551297 369266 424046 612524 327122 517531 485139 402250 459716 292133 288912 313031 379315 222562 258094 361538 280141 175002 252215 206552 474795 365949 531741 457880 346274 488944 229407 437235 266956 459103 365810 398650 987050 428393 603652 428738 209592 225301 274053 226246 268019 244994 302827 364159 367081 350424 377908 368122 334865 365321 337673 asparagine 12441 17225 11364 7646 12028 14465 7842 17400 12627 15274 13082 11009 5805 8962 11747 14469 6317 7675 15984 10922 10735 11954 11224 13916 10061 21011 17787 10809 10607 8540 13891 16365 10135 12602 25146 10961 20433 16108 11952 13250 10703 8543 9284 14333 7933 9749 10690 9550 8679 11387 9325 9247 7206 10032 15322 7487 9782 7598 11699 7036 15117 9037 9873 20168 14376 12769 10983 8226 7187 11994 9821 13382 7153 7186 10561 10816 11044 13233 12219 12198 10727 12771 ascorbic acid 186 449 420 678 463 220 405 74 491 306 421 414 211 405 154 316 358 373 283 291 339 293 259 320 240 181 133 148 337 369 223 274 74 288 232 88 163 131 241 647 278 332 318 201 258 126 158 228 196 288 273 276 181 140 172 262 256 88 147 200 236 291 207 62 196 239 203 295 141 339 289 242 90 613 213 194 282 215 191 188 183 250 arachidonic acid 53745 124515 51974 37933 80961 75614 57701 30445 71143 94305 76144 81332 86656 72310 36124 41108 36955 66577 64174 95889 75768 74727 62204 89731 59213 95163 60574 28083 85339 66764 78066 91524 62084 73889 72282 87696 102731 104665 56430 110076 37320 38911 67640 64873 45135 52094 66284 83703 69494 58810 40470 37876 86917 46086 74876 49609 119694 41529 77999 60419 59009 48660 64045 65284 52264 68665 53808 58543 50453 103133 41658 63066 69494 75957 58861 65828 53717 69758 73139 66367 70320 70649 arachidic acid 3386 3930 3904 2113 4417 7615 3960 6245 2388 4759 5443 4627 4356 3347 8778 4043 4692 8021 4286 5357 4647 3234 3260 4743 15329 5637 3493 9675 6121 2921 6000 5128 2195 3785 5349 5369 10302 4600 2089 4428 2840 3101 4729 8449 3764 3744 2242 5214 4128 4484 1202 3352 3544 2943 5836 3769 5359 4607 3469 2259 3689 3762 3660 4482 5117 4255 3635 3194 4366 4397 3518 7236 1836 4216 3263 3928 3544 4062 3866 4264 3893 4810 arabitol 69694 88236 47576 39251 96707 25305 71701 77740 40350 71615 54659 31085 49773 75159 40947 40893 57542 39080 57879 46985 49109 44489 61320 56119 44980 43498 69532 37675 36503 45919 99788 29184 22146 42637 66214 47740 43612 45871 105902 96972 53312 78821 54454 61684 78870 61544 122069 71850 60659 78179 25117 68676 25104 55039 69900 76919 54113 37980 78059 49548 68751 42234 67189 72875 55040 52829 79447 83273 75604 80082 91377 70727 45341 36276 46428 57506 57247 64459 64562 63268 67855 47263 alpha-aminoadipic acid 3455 3173 2477 2770 1167 3290 1743 1377 1001 1266 1018 890 1220 3211 671 755 1470 3047 4413 1313 1311 1195 422 1291 1997 2684 970 13431 1482 445 3015 951 997 902 715 886 1199 3009 790 1538 855 680 771 1623 1058 704 848 668 623 666 418 1187 984 468 336 512 1270 2296 896 260 633 913 470 782 605 865 963 412 3761 1724 1788 849 379 232 1626 1301 1585 1592 1776 1699 1744 1764 alloxanoic acid 2032 855 749 675 1694 3450 1068 9763 590 2486 2100 133 218 481 1135 632 360 125 6404 1066 839 736 515 251 912 2314 1568 4475 3434 431 3315 178 418 625 829 2949 1038 223 1292 620 304 274 1319 11929 1201 1360 7308 452 1883 520 178 361 664 1488 823 1814 169 5644 582 163 2502 683 648 387 2483 222 1318 567 2292 6178 573 1209 530 107 1960 1916 2210 2150 1872 1932 1792 1757 alanine 330605 293459 170868 318946 197274 204052 265932 271981 211410 420081 507941 332464 117939 296243 395069 569753 35585 141024 563394 185822 430810 176670 347641 197797 309377 560711 467109 388311 284221 242025 375063 550701 291221 227676 625849 468256 403243 312976 216227 280744 284700 259584 179010 250081 203005 287327 271509 176644 169716 338488 463269 123229 244495 280883 373682 115532 183275 488766 334116 243970 382077 259020 339839 242193 398410 410826 86740 379885 99578 311542 285676 314625 209011 218407 453358 322664 306183 287417 368185 209369 201796 179374 adipic acid 1437 1697 2059 2126 1554 1497 1870 3894 2559 2657 2900 2183 1657 1291 2073 2625 2346 1640 2143 2495 1902 1990 1875 1757 2556 1982 1684 1859 1315 1757 2429 2542 1555 1755 1673 2679 2478 2443 1381 2212 2420 1629 2410 2896 2128 3969 1588 2492 3074 2544 2355 1605 1786 1535 2911 2578 1899 2024 2134 2058 2027 2016 1169 1876 2343 1633 1591 1702 1811 1520 1231 1805 2724 2063 2157 2372 1347 1888 1812 2538 2026 2417 adenosine-5-monophosphate 1438 2345 5604 15552 4389 2243 10900 1250 5492 4895 2835 8474 1361 3821 5263 1406 17714 717 3010 2660 5196 7051 6782 1073 4213 4396 2671 3978 3268 11255 4047 1516 6665 2003 1388 2307 1125 1053 3154 1618 5175 13600 2727 1143 10879 2905 2697 3155 3708 1574 4746 4244 3529 1845 1369 8208 3295 1785 2650 3265 2107 3445 5237 576 4064 2405 3532 2916 2818 4873 2576 3549 2141 1655 3783 3601 4721 5248 4904 4663 4370 3477 adenosine 2215 889 3487 3541 2604 3260 7013 703 2417 1693 6970 4762 1491 980 2489 293 6135 3008 1721 626 1266 4128 2452 659 513 725 426 921 2181 2304 1900 719 1297 3065 506 2170 3915 525 922 745 2153 2238 571 3055 2693 4137 1154 855 1171 710 822 710 298 665 306 3456 849 452 3370 1764 890 274 1322 277 692 392 1137 643 526 913 726 857 2516 529 1494 1793 1555 1773 1797 1595 1662 1652 adenine 4025 2953 6805 6388 7473 2543 7228 2352 1793 5912 5458 5328 2663 5953 2257 1313 8177 2080 2161 2183 4682 9623 8089 1199 6429 2116 3863 2118 4517 3504 2159 862 3946 3563 2409 5391 1871 558 3046 2344 3057 3583 1915 1848 4546 1761 1891 3379 4422 2840 1045 3691 1901 1271 921 4461 3540 2098 1523 2228 2365 2036 3598 1076 2139 573 1681 2778 2168 2281 3492 3688 2462 1003 3121 3660 3609 3317 2011 3806 3893 3631 5'-deoxy-5'-methylthioadenosine 295 795 394 898 197 380 1748 703 355 1123 1124 778 277 312 391 212 645 86 857 166 597 295 902 80 504 577 466 339 592 341 822 189 688 166 177 418 207 163 254 488 475 551 268 417 662 317 253 236 581 714 655 312 221 397 304 522 377 903 203 454 458 598 263 187 530 98 503 819 437 546 537 1370 438 165 441 554 358 423 410 456 245 427 4-hydroxyphenylacetic acid 278 89 147 67 90 124 284 359 127 402 580 93 110 300 71 202 346 91 330 81 95 69 340 96 142 138 183 692 913 1116 234 69 86 73 886 255 106 47 191 109 174 73 77 243 369 167 359 144 394 811 62 140 250 71 175 1292 164 370 60 891 776 89 49 353 821 92 92 340 554 406 117 76 103 48 242 331 323 298 318 269 333 336 4-hydroxybutyric acid 1072 298 720 843 506 384 485 1341 860 654 1048 634 524 512 877 1258 452 454 374 1191 630 899 560 1040 290 229 611 574 422 701 1048 1556 383 858 279 884 958 1143 714 326 467 623 520 594 773 821 865 898 779 870 1277 877 772 1211 1026 430 597 526 1221 794 500 335 796 347 491 1130 393 786 460 405 888 476 563 1295 683 692 696 808 789 735 736 753 4-aminobutyric acid 90558 73555 106229 123532 86548 60269 149805 76581 94547 87391 52272 130931 59802 121281 106149 80380 124662 104272 31789 109312 80089 200721 108697 132456 83111 66755 99311 39239 71179 132824 82051 83882 81455 165227 50252 67591 94455 57826 87989 79857 86236 120967 96656 62989 140557 81456 87228 114162 93894 65500 161079 125629 115541 129203 68438 150090 54925 54530 137169 126938 78523 79720 179051 77216 17829 149827 117839 97968 74202 75899 3256 107551 91558 165868 86368 87202 90017 101571 94179 97671 102554 104384 3-phosphoglycerate 4170 400 427 148 216 313 107 1734 184 312 635 248 204 188 225 509 232 397 1777 432 564 191 138 696 172 2031 58 200 939 260 970 629 209 170 414 270 324 509 470 631 199 153 229 543 498 524 447 356 302 704 557 969 459 913 119 955 203 768 353 451 964 200 549 949 1398 199 402 1066 253 1045 619 2168 597 1029 526 643 252 235 638 115 566 271 3-hydroxybutyric acid 8575 11535 12336 12046 4506 10037 22338 16975 5273 35248 10154 3487 9164 3883 11700 11002 23995 2573 13965 84615 8845 13285 10582 17672 6045 9872 10610 12748 17385 12801 60162 2118 14256 3317 8792 6208 7602 31718 14164 7136 12679 7546 12651 22847 10109 13619 5279 37249 27498 14711 15325 3923 14156 12509 17176 7229 12296 16561 86468 12270 4894 4688 1837 4937 3836 4885 7596 9520 11964 11436 29066 4509 6349 2735 10224 10788 8552 9487 6757 9670 19443 10835 3-hydroxy-3-methylglutaric acid 763 894 652 776 575 168 834 1260 531 1152 1057 514 1714 612 414 270 1146 475 398 894 461 650 509 622 747 1198 490 834 565 954 693 486 475 751 335 555 703 559 705 1483 1153 964 659 1079 1504 572 1123 881 2376 1680 501 524 805 1326 1016 2310 1849 1785 1217 2028 1109 1530 1158 1372 1252 1363 1153 1341 1776 2045 2585 1461 1627 1157 995 1056 1142 1140 1234 1101 1256 1160 2-monoolein 988 2697 5302 5758 3073 7879 2073 1311 1685 3112 1828 2332 650 2730 1009 985 5799 3199 951 106 1557 2058 3002 1109 3895 1698 530 542 1731 1599 2819 553 1055 2492 892 1715 2208 467 1430 6547 2770 2357 905 6511 2155 1027 1209 801 4151 7593 3318 1803 393 1163 3349 1869 6712 1366 633 1795 1707 4151 2392 2579 2863 733 2837 915 1775 2543 8843 1651 1992 1205 2491 2957 1373 2141 2603 355 3172 2487 2-hydroxyvaleric acid 938 4527 2153 3330 759 958 1626 4045 2931 2758 2698 1260 1020 1124 1810 766 2692 692 3984 1566 1993 1618 2058 1452 930 3205 1169 2823 1061 1045 2016 930 1432 625 1606 3056 1584 2070 531 2890 1460 2254 711 1624 1734 1958 1502 2241 2228 1758 1335 880 1378 1520 887 2445 680 1928 1838 2252 840 559 1428 576 1092 865 1614 2028 2402 4128 994 705 1987 675 1761 1756 1846 1800 1918 1909 1828 2034 2-hydroxyglutaric acid 1893 1790 2793 4695 731 1929 2520 2929 1457 3262 4497 1919 1102 2904 877 2924 3436 1173 2325 2249 1290 2239 1968 1224 1223 3729 1579 10906 3107 2146 3672 957 1033 1542 1426 2194 2034 2640 3541 1591 2166 3978 1697 3294 4489 1539 2443 2982 3167 8437 4378 1391 2660 1747 4140 2911 1139 2290 2932 1908 3599 1222 2972 1288 3319 907 987 3295 3542 4341 3601 2300 1534 902 2487 2656 1641 2809 3051 2719 2982 2581 2-hydroxybutanoic acid 37098 115938 32624 98303 9195 26540 109594 33026 27533 48345 22665 18677 15442 9236 9494 35737 32691 2450 48028 31616 21876 8072 18723 9732 20230 35495 7351 41302 11118 10980 59261 9135 16879 2597 4997 41058 20520 22726 23693 79931 22099 74463 5978 42004 71706 37205 18033 16501 45086 13276 17969 13493 17637 10031 25820 38045 16918 58676 27223 13496 12163 15757 7033 9512 9188 8844 24812 16264 28287 46788 26326 21017 17477 3413 26930 27667 29290 27528 27044 27703 24817 25596 2-deoxytetronic acid 2926 4369 1896 3288 2107 2239 4060 6279 2133 4594 1928 1290 1434 1689 1290 1904 1325 1484 11075 2287 2163 1440 1917 2561 1057 2364 1476 8471 2641 2797 6848 1714 1888 1305 820 2544 2001 2785 1444 3480 304 3886 1449 2707 2929 5422 3913 2815 3247 1579 1281 1772 3283 1186 626 3116 1365 12106 2330 2424 1179 1025 1022 1352 2149 1781 868 841 3458 4695 3403 2266 2891 1408 1776 2554 3101 3464 3330 3513 3521 2366 2-deoxypentitol 2042 2811 3935 1546 2359 1389 2270 3450 1761 8409 91438 1833 2941 1932 3787 4455 3918 1439 2443 2199 1748 2023 2867 2133 1503 3883 1570 2318 1759 2097 2945 1555 1437 1797 2452 1582 1758 1725 2298 2631 4181 2201 2210 5828 3047 2112 4018 2361 9910 69109 2418 4122 1736 5107 4857 5253 2214 4802 2398 3422 2886 2226 2545 2184 2765 2693 2724 3417 4152 6602 3509 3325 3215 2484 4278 4662 4300 4660 5129 4589 5373 5044 2-aminobutyric acid 9875 10378 7166 32840 4809 7465 14136 8862 5121 30670 12441 5886 3254 12263 14154 25571 11022 3557 13268 3625 18801 2996 5711 3844 7722 22404 12336 33329 2213 8544 13120 6603 23984 1488 4634 19293 10479 3369 14003 12473 22890 29677 3267 12106 12067 23096 11478 7836 10877 11146 6640 3636 9461 7698 18387 20096 3116 22041 16108 6998 6555 6391 10303 6202 7396 9190 6913 9665 11545 18427 11434 24855 31829 1929 20784 13606 10428 10549 10760 6363 6898 7601 2,5-dihydroxypyrazine 5990 4884 13027 17599 5802 2356 19301 1998 4532 10452 2741 16223 5278 9439 2654 4498 6754 1858 6650 7596 10084 7883 9646 1254 12825 7957 7123 3645 5111 11809 7581 4886 4606 4717 3747 6064 1191 1554 5396 354 22976 26668 3757 2299 18940 8902 2709 4454 5508 2743 16957 8319 10786 3407 5007 17277 4723 5310 4486 8810 12795 17725 12387 602 12760 2068 2645 5107 1726 4952 5600 10089 7940 8264 10956 12739 9093 8494 7956 8248 7314 3037 1-monostearin 978 690 889 810 817 1294 598 673 915 741 951 627 1391 1233 757 456 983 1217 611 1688 29 927 819 963 1210 671 860 372 1094 513 904 806 341 872 354 900 870 760 797 3613 730 877 1176 1158 1002 995 780 828 1042 845 779 808 1114 607 768 378 1990 500 135 607 478 988 676 738 219 682 756 785 197 587 1247 276 921 1271 819 1030 560 887 710 610 806 1110 1-monopalmitin 704 1091 373 84 395 1402 801 660 975 1959 4891 720 961 687 610 392 922 900 843 1380 614 395 3573 709 1032 881 956 461 742 1058 1075 677 820 469 822 1045 1321 779 486 1332 639 636 798 1297 744 669 811 722 1278 2491 1044 574 503 543 755 890 1221 882 578 727 611 749 664 849 602 542 538 1747 709 606 1626 498 1079 798 893 1066 1034 952 1154 1002 878 1080 1,5-anhydroglucitol 9330 27978 19387 28203 21327 17712 15697 14201 22762 19209 3789 16216 12495 8280 11422 15942 13210 10280 4960 13594 2827 18663 11467 17055 19992 7133 1106 12162 5387 7056 27920 15302 2575 4479 1895 2122 2234 13006 9486 22917 16825 23695 17839 30694 18484 20889 10981 22863 18546 2590 15790 24079 9514 11820 11716 12078 12966 3736 12018 5775 6131 19365 15645 7060 5643 16824 2844 11835 12589 9273 17394 1479 3243 5129 11149 12183 11738 12299 13226 11405 12789 13179 1,2-anhydro-myo-inositol 453 1702 2963 290 509 236 328 483 354 351 1702 370 361 391 191 364 385 306 9442 355 286 395 307 339 494 4880 272 265 2218 303 499 326 217 367 388 306 4683 1923 529 478 373 447 345 598 337 506 490 293 319 372 483 524 284 316 506 291 373 3963 565 401 548 474 429 400 949 420 493 427 379 8636 523 761 320 299 410 409 380 400 415 375 390 411 525041 175 165 517 320 5881 5655 218 10457 9449 407 10413 172 254 292 217 11039 5692 155 156 365 146 285 63 2211 947 157 990 228 371 265 617 324 2587078 113 185 203 10791 185 97 8592 267 142 355 5725 250 392 178 583 181 188 336 183 239 143 164 228 599 197 133 303 5383 4208 4508 6912 292 7349 98 194 124 100 344 259 440612 496 72571 77810 78020 81247 80963 81049 89801 82851 524159 546 500 639 282 287 366 571 481 317 561 769 205 520 528 307 600 541 271 840 341 229 304 626 346 249 395 159 1229 828 310 747 227 390 265 355 541 218 472 439 356 500 310 238 1333 756 425 647 365 502 607 231 302 609 306 442 601 576 1083 245 352 938 271 212 262 787 369 323 589 1155 692 486 512 1130 322 401 433 489 486 525 421 570 556 518105 367 481 290 475 402 503 686 324 562 379 199 310 797 139 189 194 981 552 359 501 345 471 349 782 333 223 402 255 313 202 293 747 301 495 427 308 659 473 290 312 419 381 461 328 607 365 297 452 244 301 305 342 340 106 295 348 271 261 542 420 380 156 290 414 155 336 201 277 333 239 214 332 305 591 320 300 406 217 166 341 295 202 513924 1280 1671 1556 440 2225 2021 701 2330 2530 815 758 885 5428 1461 1285 2249 1240 640 1085 1606 1748 3680 1101 1664 1170 1123 1921 1022 1773 861 729 2516 1613 943 2342 1350 787 3783 2116 5117 1463 1273 2468 2242 1419 1361 1996 1071 1042 1404 1095 4325 1474 2520 1411 1273 951 1360 2363 1495 1969 1351 1899 7854 1617 1880 582 220 1107 1378 1490 791 1100 2047 1774 1737 1730 1829 1737 622 3304 706 509528 47370 129686 111609 231088 58502 17705 95835 60359 56850 110482 44433 62057 78816 211375 49195 42977 92197 37388 61237 102212 29180 116313 81454 58637 120841 116432 86818 62055 116802 90507 117964 31205 26351 34616 27485 25012 49534 42192 61797 191469 145601 165299 65874 69036 122654 91543 58390 59052 136914 42648 113009 21846 241446 68036 71768 96769 95521 62861 100839 116259 174221 172051 118698 50676 164844 69942 47689 112853 89481 179936 246355 26280 39460 47192 82012 88327 86812 91270 95362 90416 93634 94993 505282 126 149 145 746 240 95 477 255 197 529 205 270 311 108 257 238 954 183 143 518 190 167 469 54 250 175 366 310 118 490 293 98 189 165 52 178 100 43 822 385 1219 1865 163 168 2560 1360 646 639 67 659 1234 170 1212 1370 1601 3785 294 73 609 2140 1050 1040 1164 550 1009 399 1648 3477 590 375 492 1233 3886 1356 462 309 767 725 605 554 771 678 474221 90558 78173 106229 125940 87834 64545 152425 70579 94542 87391 50983 130742 59802 121280 106149 80380 124662 104274 74945 109666 80089 200721 108772 132456 77185 66754 101256 39383 69932 132824 82051 85438 81636 165227 50201 73686 94895 57825 88205 80286 86236 121005 96653 69170 140555 81456 87301 114562 93894 65505 161082 128695 116278 129088 78592 150103 54947 54578 137173 126938 89065 91356 179202 77216 69452 149827 117839 97960 74201 79361 54583 107551 94437 165866 88485 97096 96807 101643 103826 97671 104016 104385 474021 223 240 276 235 243 123 261 336 255 349 225 227 506 294 233 158 267 244 152 272 193 229 203 243 195 255 287 147 200 254 232 252 212 201 128 214 210 201 492 568 868 549 493 277 778 745 944 906 1074 1026 608 673 1064 694 586 919 527 473 901 646 751 666 863 604 775 773 683 657 486 1014 541 763 823 494 493 553 478 492 466 532 494 488 473743 19510 12067 7675 10213 11826 11566 6791 17733 12595 20735 19278 11439 14199 24719 35015 30142 9591 11086 25104 14660 31978 13806 16573 18844 17591 30146 32346 32304 12415 16197 13082 25062 19406 13034 60092 26433 22997 21140 18520 15847 19264 11670 10948 13297 7457 11680 6669 11556 9732 10985 13330 10147 17043 20933 24090 15141 9368 16607 24504 14038 20361 20001 18739 21026 23557 25848 12695 20516 14192 21273 9137 49652 18872 11393 28005 21199 14613 15005 23232 12784 9842 8906 470973 1954 1930 1356 2339 1930 1879 1086 1300 2296 2524 2727 2651 2304 1642 3076 2097 1608 1940 1993 2632 1736 1526 1624 1805 1973 1225 1999 2635 1515 1872 1697 2590 1714 2008 1111 2365 1081 1365 2089 952 2203 2156 1820 2383 2311 2756 2229 2311 1735 2415 3450 3175 4179 2484 2128 2477 3156 1991 2537 3048 2073 2164 2071 1328 3009 1756 1339 1560 1551 1392 1174 2324 2507 2114 2838 2189 2262 1753 1603 1784 1922 1665 470911 568 137 245 405 188 230 716 761 142 1081 399 42 99 2124 844 200 375 32 2217 81 480 64 137 157 412 977 804 1187 541 1154 632 214 789 41 1147 317 60 19 462 128 710 548 155 579 623 713 696 6427 329 130 85 242 1155 207 256 427 94 2942 503 573 678 239 386 56 2033 136 130 640 364 526 279 2694 1288 334 534 234 294 241 450 313 367 332 425777 16026 10854 9787 24227 14179 25733 18477 6723 16350 8725 11449 7445 43339 17697 4372 2011 40360 32049 6886 12510 5587 20004 18399 20706 3624 1808 23183 6608 7117 16095 6774 7515 17882 27483 1474 4557 9920 7222 23812 301418 7395 11770 30293 35861 22659 23940 23389 23828 27770 30503 12948 29859 9248 10519 20687 27583 47686 6709 8475 22181 5432 14364 21328 28605 7245 13744 21097 19310 27144 8203 12703 4918 25133 20125 6046 5110 8870 6752 9977 14284 14358 28521 425764 2454 2230 1090 3352 2849 1803 2137 3551 3687 2574 2691 3500 2187 2174 3305 2742 3165 2164 2238 3154 939 3045 3161 2486 2610 1672 1346 1115 3275 3823 3407 2228 1572 2221 1565 3291 2596 2048 2035 2268 2669 1028 2561 1957 2821 791 1399 2895 2921 2559 2943 2695 2983 1458 1255 964 2820 2985 2799 2548 2163 270 2993 1888 2216 2603 2142 1914 2179 2187 2642 2703 1031 2147 2818 3338 2225 2843 2379 2357 2837 2612 424428 533 95 178 394 160 355 728 112 127 402 285 553 145 508 1256 291 150 171 133 129 186 132 272 106 690 271 531 461 85 373 129 346 619 185 80 465 63 137 651 926 668 911 328 428 568 997 356 282 209 275 980 366 1382 760 633 944 91 320 628 436 519 883 511 118 714 120 72 240 5247 197 101 507 2006 768 700 397 277 170 94 105 128 161 422265 163390 68954 88876 91128 7340 83216 169505 178154 100961 150633 92137 49080 25256 53341 78044 47064 116427 25650 88289 191270 47266 38130 53914 55198 118189 68111 50629 147637 111053 93167 175941 48174 80247 9125 64830 98125 58391 45007 85976 61406 85094 104349 53774 95800 143118 165475 155127 114800 97562 25645 67582 69375 136958 86023 40360 30651 45595 83629 179300 18035 130487 88201 55169 35161 120801 62394 44844 52208 112765 69352 125297 51726 68906 39833 64211 130194 126025 131959 100427 78084 84347 82382 417735 801 973 1513 2043 2096 613 985 1042 1286 2377 4904 4780 1083 6578 7631 4409 2066 813 1585 1161 4977 1402 4736 223 1937 6918 3766 2974 1120 2871 2590 2066 4785 4552 2139 328 1949 1085 286 9837 1792 2338 590 150 2894 325 398 278 513 2127 1207 534 658 2795 1478 5885 430 329 1506 3306 1681 1483 1873 192 2107 1176 458 672 5338 1416 1317 5188 1072 1144 4291 2970 3872 3241 2240 1191 762 704 417655 2221 1274 2252 1210 2214 586 1356 3457 2367 1065 1788 1428 1833 2620 2879 2755 1165 2670 2161 2798 2078 3370 1876 5239 2025 6578 2175 2650 2904 1952 2157 3255 1841 3638 5575 2755 2722 10859 2339 415 1645 1716 2139 585 1879 1374 2244 2221 1857 434 1309 2466 2113 3245 1606 1493 2478 1656 2326 2036 870 1943 2152 2859 610 3504 2034 2155 2377 1378 1719 428 1543 2369 665 2210 2330 649 768 2708 782 2492 413961 13524 16942 14702 2434 9438 10242 9954 18245 13825 20942 34137 16055 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408 575 146 666 684 458 455 468 400202 41 349 29 63 52 199 50 87 100 336 238 74 40 29 77 53 60 46 316 122 192 44 32 40 108 1250 42 59 467 35 172 82 40 45 413 94 213 46 70 59 96 63 72 94 81 68 54 77 68 89 81 96 70 82 58 78 113 59 90 59 106 122 45 232 127 45 42 30 44 190 45 86 58 41 156 187 137 92 117 69 111 89 400123 807 990 872 865 1048 797 914 985 1359 884 1040 852 915 701 987 887 954 963 914 1294 751 906 631 998 875 567 746 929 1206 791 1054 972 43998 817 626 873 944 794 776 1393 807 662 1010 944 945 1291 690 1350 1076 946 1091 1175 994 906 877 897 1146 911 1083 924 924 834 892 726 871 977 867 613 899 748 1094 756 18079 901 1484 1645 1483 1439 1622 1413 1698 1437 398788 1197 916 1096 1219 1123 981 964 1455 1312 1079 995 991 918 948 564 712 1098 751 588 1195 1118 911 838 879 864 710 968 324 1005 303 1303 1365 1172 932 573 949 575 851 1120 714 926 1182 1236 854 316 1672 1259 1133 1158 788 1660 1249 1367 1145 750 262 1132 790 1296 1043 1044 372 1177 834 656 1094 707 764 932 948 1059 576 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12674 14331 8834 7884 6386 4048 5067 7128 9268 2500 13130 13425 4506 7826 10241 7802 13577 12311 9516 6604 5361 4916 6650 7335 6011 5607 8936 6850 6370 5555 10061 5956 5530 11052 4187 5220 9079 5990 11901 5771 8428 4440 9908 8730 6351 10918 9058 1338 8190 7244 7090 5223 3129 9140 7179 7427 7289 11469 7804 8290 11167 9915 458 793 1370 695 812 954 603 145 629 792 1132 500 651 462 883 1019 1060 883 956 443 1679 1097 898 1249 1069 763 411 431 955 998 712 1451 1727 409 712 2265 908 860 1204 842 443 286 262 543 633 405 116 419 229 353 155 375 273 203 453 334 225 378 358 565 269 773 385 358 528 932 815 694 393 463 441 317 397 131 410 666 427 797 856 476 682 664 732 168 467 826 475 372 399 781 275 1267 450 209 532 344 386 386 338 309 923 532 441 920 189 529 284 932 290 208 271 430 543 449 531 624 289 261 262 441 2066 438 286 2405 293 248 684 671 511 786 710 795 281 424 420 563 471 380 827 437 837 413 405 241 301 484 727 409 254 974 406 296 467 305 600 210 376 963 322 390 465 356 433 418 422 644 160 605 1131 694 790 696 725 782 815 630 878 826 808 525 677 624 539 882 412 863 750 1217 976 831 681 1067 1811 792 502 1217 584 854 439 674 724 1151 840 1122 995 822 961 809 877 786 855 1072 735 608 690 689 651 669 799 655 540 630 875 727 753 436 547 1141 869 1041 775 998 1048 929 543 339 999 960 897 572 723 787 1028 878 951 806 801 830 822 136 71 142 206 53 127 372 81 129 171 87 498 84 264 389 59 232 99 163 534 140 46 95 195 79 74 409 76 420 297 85 194 95 187 95 191 191 185 64 756 376 274 108 338 540 754 84 237 127 230 1112 108 432 570 228 51 58 202 1014 251 255 396 107 150 321 230 156 196 1450 768 452 430 468 176 189 243 77 251 213 208 238 217 191 134 2700 8190 2429 2822 1571 2146 1813 3206 2471 1525 4524 2607 776 3159 3515 1608 1618 1172 3052 5024 4450 1875 3582 1442 6355 3143 1861 6267 2094 2213 4389 7810 1909 1318 3315 3967 4380 2130 940 823 2181 2233 1997 1679 3566 6796 4922 2225 1675 2082 3815 2417 1683 2911 6834 3708 4357 2139 3516 2218 2894 3992 5941 1724 2456 5616 1596 2051 2421 2227 4937 2161 2770 4061 3033 4679 3333 4030 5071 2521 2406 2381 110 5200 7932 9036 8565 9086 13258 9710 15904 14186 9675 17569 10534 8481 6152 20073 8519 10325 8293 8430 11772 7936 8682 7141 7751 9694 5327 7703 7342 9209 8687 10516 8698 11191 8875 5541 10064 13284 6842 7546 11531 7411 7980 9530 7171 8990 5487 14788 11314 8126 11972 11266 11083 10616 12534 7320 8348 8382 8356 13680 8914 8227 7348 5127 8331 7809 1918 8337 6775 7442 10222 10420 5952 9134 9458 9211 10713 10745 10550 10382 8880 10991 11465 68 145112 82038 109395 132695 129498 106363 182457 145059 172114 146413 176577 187481 33901 88497 122683 112220 116363 99096 93808 162435 77715 92106 124681 59392 200210 59605 105293 151755 104890 127348 164933 166648 81247 90837 42111 121926 122279 65725 137983 116917 121240 177932 143728 86823 171284 296740 229288 204145 141623 180618 228532 138292 215937 163154 167525 154394 91657 107464 167252 113685 151387 153518 122659 77050 154587 152966 90387 100479 87004 80301 138279 56043 81905 187352 83790 151763 152465 153592 159888 120438 95721 67298 61 3883 4334 5924 7744 7593 11819 12453 4412 4583 6675 4378 5433 6223 7398 5171 6594 5663 5699 13751 3847 4648 7463 11123 7185 4742 4079 4611 7496 4487 18003 3844 4326 4050 7792 9068 8222 3128 3765 5055 3785 7323 7386 4535 7443 10076 5148 4866 6231 4832 7264 3458 11029 5325 5129 6297 6961 7176 13948 5145 12924 6687 6455 5205 4505 6079 8012 5584 8701 5984 3967 5532 6550 4489 6500 6387 7054 7089 7120 7131 6169 7016 6199 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 546308 307 383564 85:57.0 86:2871.0 87:1694.0 88:1594.0 89:21844.0 90:569.0 91:328.0 94:659.0 95:212.0 100:6987.0 101:8647.0 102:3720.0 103:137570.0 104:13575.0 105:9237.0 106:427.0 107:191.0 112:565.0 113:2749.0 114:4063.0 116:1032.0 117:15167.0 118:1854.0 119:1650.0 120:385.0 121:165.0 124:272.0 126:692.0 127:568.0 128:580.0 129:17624.0 131:3464.0 133:16190.0 134:2291.0 135:2185.0 136:162.0 139:46.0 142:1407.0 143:3275.0 144:812.0 145:2598.0 146:588.0 147:45550.0 148:8680.0 149:5014.0 150:6.0 151:346.0 152:310.0 157:541.0 158:1475.0 159:384.0 160:10350.0 161:3149.0 162:448.0 163:1505.0 164:393.0 165:250.0 166:304.0 168:681.0 170:134.0 172:647.0 173:825.0 174:1659.0 175:978.0 176:325.0 177:832.0 178:119.0 182:51.0 185:71.0 186:185.0 189:15527.0 190:2009.0 191:5278.0 193:362.0 194:68.0 198:808.0 199:218.0 200:688.0 201:655.0 202:251.0 203:872.0 204:3353.0 205:4587.0 206:1522.0 207:1212.0 208:235.0 214:239.0 215:260.0 216:1422.0 217:41009.0 218:7294.0 219:4679.0 221:898.0 222:141.0 223:157.0 229:167.0 230:169.0 231:1169.0 232:655.0 233:3355.0 234:1370.0 235:374.0 240:198.0 242:452.0 243:112.0 248:275.0 249:19.0 250:98.0 252:56.0 256:631.0 261:63.0 262:1046.0 265:97.0 266:49.0 272:211.0 277:3801.0 278:587.0 279:39.0 288:280.0 290:104.0 291:775.0 292:199.0 293:158.0 303:59.0 306:353.0 307:16917.0 308:3084.0 309:2092.0 310:465.0 311:159.0 315:44.0 316:51.0 317:31.0 318:140.0 320:86.0 327:23.0 330:361.0 331:227.0 332:241.0 341:42.0 345:49.0 346:28.0 347:25.0 361:32.0 362:222.0 363:100.0 364:92.0 365:47.0 368:30.0 383:85.0 399:23.0 406:34.0 416:25.0 420:69.0 421:95.0 422:14.0 437:29.0 452:98.0 453:76.0 467:81.0 469:50.0 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-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 99:197.0 100:550.0 101:133.0 103:3879.0 105:225.0 110:78.0 111:54.0 112:11.0 113:368.0 115:260.0 116:324.0 117:679.0 119:186.0 122:27.0 123:48.0 125:93.0 127:190.0 129:1315.0 131:290.0 133:738.0 134:188.0 135:75.0 141:43.0 142:136.0 143:165.0 144:243.0 145:138.0 146:15.0 147:4210.0 148:264.0 149:485.0 153:108.0 154:74.0 155:91.0 157:331.0 158:221.0 160:31.0 163:49.0 164:64.0 166:59.0 169:572.0 170:148.0 171:112.0 172:81.0 173:121.0 174:134.0 177:42.0 181:26.0 187:44.0 189:221.0 191:191.0 192:31.0 196:49.0 198:13.0 207:229.0 210:34.0 213:24.0 215:91.0 217:1856.0 218:564.0 219:240.0 220:65.0 221:150.0 224:42.0 225:18.0 226:15.0 227:25.0 229:111.0 230:2064.0 231:485.0 232:181.0 233:61.0 234:53.0 237:121.0 238:108.0 241:23.0 242:31.0 243:706.0 244:233.0 245:1741.0 246:354.0 247:308.0 248:28.0 252:61.0 253:32.0 258:211.0 259:330.0 260:166.0 265:320.0 266:118.0 267:42.0 273:7.0 278:39.0 279:131.0 281:1306.0 282:301.0 283:204.0 284:38.0 289:36.0 294:88.0 295:318.0 297:805.0 298:306.0 299:51.0 303:53.0 304:35.0 306:17.0 309:100.0 321:135.0 322:61.0 323:53.0 324:110.0 325:3237.0 326:872.0 327:370.0 328:151.0 329:52.0 331:21.0 333:33.0 334:7.0 335:47.0 343:24.0 345:13.0 348:195.0 349:143.0 350:29.0 351:42.0 352:52.0 353:195.0 357:21.0 359:18.0 360:23.0 367:114.0 368:186.0 369:980.0 370:443.0 371:256.0 372:45.0 373:56.0 378:45.0 381:30.0 382:18.0 387:38.0 392:29.0 395:147.0 397:8.0 398:45.0 399:30.0 401:14.0 406:21.0 407:19.0 410:98.0 411:204.0 412:136.0 416:24.0 423:61.0 424:25.0 426:81.0 427:40.0 428:33.0 429:58.0 438:10.0 444:19.0 452:28.0 453:34.0 464:33.0 465:53.0 469:25.0 471:16.0 472:22.0 482:40.0 483:84.0 484:56.0 485:49.0 486:26.0 492:10.0 496:40.0 497:44.0 499:34.0 64959 C01762 UBORTCNDUKBEOP-UUOKFMHZSA-N xanthine 701688 353 1669 85:2517.0 86:3710.0 87:2079.0 88:382.0 89:398.0 90:80.0 91:121.0 92:294.0 93:389.0 94:217.0 95:887.0 96:502.0 97:447.0 98:2556.0 99:3280.0 100:20394.0 101:2912.0 102:1806.0 103:2337.0 104:350.0 105:1446.0 106:113.0 107:15.0 108:151.0 109:225.0 110:796.0 111:2460.0 112:928.0 113:1375.0 114:1007.0 115:2460.0 116:1524.0 117:4430.0 118:716.0 119:955.0 120:203.0 121:149.0 122:214.0 123:385.0 124:753.0 125:1299.0 126:927.0 127:713.0 128:2133.0 129:570.0 130:2669.0 131:17683.0 132:4507.0 133:9141.0 134:902.0 135:654.0 136:317.0 137:441.0 138:525.0 139:911.0 140:685.0 141:1032.0 142:1839.0 143:1189.0 144:1769.0 145:616.0 146:309.0 147:84747.0 148:13824.0 149:7320.0 150:878.0 151:744.0 152:820.0 153:846.0 154:569.0 155:716.0 156:1197.0 157:2430.0 158:11345.0 159:2439.0 160:1405.0 161:291.0 162:120.0 163:70.0 164:555.0 165:318.0 166:708.0 167:738.0 168:653.0 169:1526.0 170:892.0 171:1982.0 172:2044.0 173:1365.0 174:2816.0 175:583.0 176:255.0 177:155.0 178:451.0 179:306.0 180:690.0 181:1323.0 182:625.0 183:1021.0 184:830.0 185:665.0 186:246.0 187:124.0 188:314.0 189:201.0 190:113.0 191:118.0 192:172.0 193:266.0 194:461.0 195:394.0 196:455.0 197:832.0 198:817.0 199:334.0 200:215.0 201:63.0 202:47.0 203:31.0 204:167.0 205:787.0 206:1099.0 207:789.0 208:613.0 209:498.0 210:743.0 211:589.0 212:251.0 213:64.0 214:219.0 215:112.0 216:56.0 217:96.0 218:145.0 219:194.0 220:462.0 221:1323.0 222:1301.0 223:1229.0 224:983.0 225:547.0 226:281.0 227:208.0 228:106.0 229:77.0 230:44.0 231:56.0 232:97.0 233:15.0 234:67.0 235:410.0 236:1550.0 237:1053.0 238:5251.0 239:1475.0 240:674.0 241:319.0 242:103.0 244:3.0 245:53.0 246:38.0 247:136.0 248:12.0 249:383.0 250:326.0 251:653.0 252:1364.0 253:811.0 254:591.0 255:251.0 256:306.0 257:108.0 259:8.0 260:48.0 261:54.0 262:56.0 263:1232.0 264:341.0 265:5889.0 266:1421.0 267:607.0 268:486.0 269:755.0 270:251.0 271:181.0 272:93.0 273:51.0 274:67.0 275:14.0 276:24.0 277:437.0 278:4264.0 279:13335.0 280:4864.0 281:3735.0 282:997.0 283:538.0 284:211.0 285:94.0 286:59.0 287:83.0 288:27.0 289:9.0 290:7.0 291:44.0 292:36.0 293:652.0 294:16947.0 295:7531.0 296:3125.0 297:797.0 298:263.0 299:77.0 300:79.0 302:54.0 304:6.0 308:30.0 309:152.0 310:369.0 311:818.0 312:371.0 313:142.0 314:55.0 316:18.0 317:35.0 319:21.0 320:37.0 321:12.0 322:49.0 323:114.0 324:148.0 325:192.0 326:1336.0 327:810.0 328:304.0 329:95.0 330:58.0 332:23.0 334:35.0 335:26.0 336:37.0 337:1290.0 338:593.0 339:377.0 340:221.0 341:145.0 342:29.0 343:35.0 347:26.0 348:24.0 349:19.0 350:13.0 351:242.0 352:1176.0 353:49940.0 354:17591.0 355:8417.0 356:1768.0 357:564.0 358:92.0 359:65.0 360:46.0 361:93.0 362:121.0 363:132.0 364:132.0 366:36.0 367:1739.0 368:18993.0 369:6547.0 370:3076.0 371:677.0 372:202.0 373:42.0 374:31.0 377:12.0 378:2.0 385:7.0 388:43.0 390:48.0 391:36.0 393:14.0 398:1.0 403:4.0 404:9.0 406:32.0 409:21.0 422:6.0 424:5.0 425:35.0 437:29.0 438:5.0 439:16.0 455:12.0 457:3.0 459:12.0 471:6.0 476:11.0 487:21.0 493:16.0 496:21.0 500:29.0 1188 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N valine 313502 144 3 85:2124.0 86:7630.0 87:1944.0 88:1239.0 89:198.0 90:140.0 92:81.0 94:103.0 95:66.0 96:941.0 97:782.0 98:2720.0 99:1558.0 100:41058.0 101:6555.0 102:3952.0 103:6374.0 104:899.0 105:633.0 110:1390.0 111:263.0 112:2218.0 113:1055.0 114:6510.0 115:2943.0 116:1153.0 117:4102.0 118:1273.0 119:1387.0 120:34.0 121:95.0 122:89.0 123:66.0 124:112.0 125:82.0 126:230.0 128:5308.0 129:3668.0 130:4722.0 131:5210.0 132:8091.0 133:9781.0 134:1607.0 135:73.0 139:40.0 140:117.0 141:133.0 142:2087.0 143:1279.0 144:224917.0 145:29590.0 146:11099.0 147:45446.0 148:7550.0 149:4466.0 150:414.0 155:26.0 156:4524.0 157:783.0 158:944.0 159:1039.0 160:998.0 161:282.0 162:98.0 163:804.0 164:39.0 165:79.0 166:20.0 167:15.0 170:15.0 171:60.0 172:145.0 173:89.0 174:897.0 175:278.0 180:20.0 186:53.0 188:101.0 195:23.0 200:29.0 201:57.0 202:231.0 203:1515.0 204:150.0 205:131.0 212:25.0 214:41.0 215:32.0 216:75.0 218:30778.0 219:7053.0 220:2659.0 221:383.0 222:79.0 224:11.0 227:21.0 228:488.0 240:23.0 246:1200.0 247:282.0 248:110.0 260:54.0 261:24.0 270:21.0 273:18.0 274:30.0 289:16.0 299:18.0 306:21.0 318:28.0 347:15.0 354:36.0 359:23.0 360:23.0 363:25.0 364:19.0 366:27.0 368:18.0 375:23.0 385:25.0 390:17.0 391:26.0 403:18.0 408:28.0 424:15.0 448:14.0 454:21.0 459:17.0 474:16.0 482:20.0 486:21.0 496:31.0 6287 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N uridine 856709 224 4705 85:3400.0 86:2032.0 87:2033.0 88:833.0 89:4255.0 90:331.0 91:52.0 92:133.0 93:460.0 94:986.0 95:954.0 96:3055.0 97:2191.0 98:2262.0 99:22400.0 100:12813.0 101:9196.0 102:3886.0 103:26772.0 104:2353.0 105:1631.0 106:284.0 107:23.0 108:453.0 109:659.0 110:906.0 111:2680.0 112:1258.0 113:6338.0 114:1321.0 115:5904.0 116:4089.0 117:10224.0 118:1211.0 119:1686.0 120:424.0 121:176.0 122:293.0 123:108.0 124:992.0 125:1154.0 126:4324.0 127:2505.0 128:1142.0 129:15966.0 130:3954.0 131:6736.0 132:2135.0 133:14295.0 134:2023.0 135:1746.0 136:280.0 137:264.0 138:827.0 139:482.0 140:3142.0 141:2240.0 142:2137.0 143:9234.0 144:1590.0 145:4290.0 146:494.0 147:48291.0 148:10617.0 149:7293.0 150:1371.0 151:601.0 152:461.0 153:5138.0 154:2231.0 155:2309.0 156:1455.0 157:3027.0 158:831.0 159:1372.0 160:229.0 161:391.0 162:94.0 163:1397.0 164:274.0 165:155.0 166:373.0 167:5125.0 168:6221.0 169:36539.0 170:5888.0 171:3995.0 172:596.0 173:1122.0 174:1026.0 175:781.0 176:183.0 177:845.0 178:211.0 179:252.0 180:229.0 181:531.0 182:608.0 183:3615.0 184:1480.0 185:7177.0 186:1090.0 187:8.0 188:107.0 189:2009.0 190:535.0 191:5454.0 192:1177.0 193:947.0 194:265.0 195:756.0 196:7434.0 197:1846.0 198:650.0 199:341.0 200:147.0 201:660.0 202:293.0 203:1696.0 204:2026.0 205:562.0 206:317.0 207:516.0 208:331.0 209:1143.0 210:533.0 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315:7706.0 316:2080.0 317:1023.0 318:243.0 319:422.0 320:80.0 321:60.0 322:7.0 323:419.0 324:192.0 325:68.0 326:147.0 327:92.0 328:5.0 329:199.0 330:241.0 331:118.0 332:87.0 333:249.0 334:10.0 335:14.0 337:263.0 338:66.0 339:493.0 340:127.0 341:137.0 343:16.0 344:20.0 345:1.0 347:47.0 348:2605.0 349:977.0 350:476.0 351:135.0 352:230.0 353:105.0 355:75.0 356:28.0 357:20.0 358:3.0 359:85.0 361:102.0 362:16.0 363:20.0 367:15.0 368:6.0 369:316.0 370:183.0 371:684.0 372:355.0 373:90.0 374:11.0 384:47.0 386:275.0 387:666.0 388:234.0 389:93.0 392:6.0 396:1.0 398:9.0 400:76.0 401:176.0 402:54.0 403:14.0 409:20.0 414:181.0 415:117.0 416:21.0 417:5.0 427:95.0 428:59.0 429:202.0 430:73.0 431:85.0 434:1.0 442:218.0 443:133.0 444:17.0 445:63.0 446:22.0 460:16.0 462:7.0 474:1.0 484:1.0 489:2.0 490:7.0 500:1.0 6029 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N urea 329351 189 145496 85:26969.0 86:19557.0 87:47732.0 88:7879.0 89:4417.0 90:6104.0 96:5422.0 97:6640.0 98:7305.0 99:249318.0 100:117208.0 101:34638.0 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XSQUKJJJFZCRTK-UHFFFAOYSA-N uracil 385816 241 3023 85:7501.0 86:34329.0 87:5443.0 88:5529.0 89:1245.0 90:1710.0 91:2717.0 92:617.0 93:270.0 94:231.0 95:475.0 96:1929.0 97:2207.0 98:3686.0 99:85531.0 100:33488.0 101:12996.0 102:3481.0 103:1997.0 104:1436.0 105:2735.0 106:983.0 107:414.0 108:869.0 109:2764.0 110:7455.0 111:1656.0 112:1145.0 113:21290.0 114:3514.0 115:2496.0 116:1970.0 117:3949.0 118:6193.0 119:1613.0 120:1089.0 121:286.0 122:287.0 123:180.0 124:463.0 125:388.0 126:21353.0 127:3558.0 128:1520.0 129:2565.0 130:6008.0 131:9016.0 132:2063.0 133:4923.0 134:53532.0 135:6693.0 136:2320.0 137:244.0 138:1045.0 139:483.0 140:2146.0 141:722.0 142:711.0 143:5473.0 144:1293.0 145:274.0 146:707.0 147:44082.0 148:7361.0 149:3707.0 150:446.0 151:343.0 152:74.0 153:1507.0 154:192.0 155:279.0 156:1062.0 157:1435.0 158:1950.0 159:550.0 160:2082.0 161:426.0 162:239.0 163:28.0 164:5.0 165:963.0 166:707.0 167:815.0 168:346.0 169:2125.0 170:1328.0 171:390.0 172:3956.0 173:1236.0 174:13073.0 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493:14.0 495:9.0 497:1.0 498:4.0 499:3.0 445675 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N UDP-glucuronic acid 585473 217 21705 85:836.0 86:140.0 89:1123.0 90:104.0 91:79.0 93:59.0 95:150.0 97:257.0 98:49.0 99:769.0 100:56.0 101:10488.0 102:871.0 103:3819.0 104:238.0 105:458.0 107:72.0 108:6.0 109:366.0 111:1096.0 112:28.0 113:631.0 114:58.0 115:828.0 116:9417.0 117:6717.0 118:797.0 119:682.0 120:43.0 121:42.0 122:1.0 123:812.0 124:139.0 125:97.0 126:23.0 127:433.0 129:8544.0 130:854.0 131:1568.0 132:223.0 133:3913.0 134:477.0 135:419.0 137:566.0 141:107.0 142:141.0 143:4198.0 144:457.0 145:334.0 147:5685.0 148:680.0 149:1111.0 150:101.0 151:86.0 155:743.0 156:164.0 157:6510.0 158:761.0 159:724.0 160:15.0 161:286.0 163:13.0 165:101.0 169:120.0 171:176.0 173:86.0 175:39.0 177:207.0 178:9.0 183:265.0 189:506.0 190:77.0 191:2218.0 192:323.0 193:111.0 197:9.0 201:1.0 203:73.0 215:54.0 216:181.0 217:37737.0 218:7712.0 219:3330.0 220:378.0 230:67.0 231:97.0 232:65.0 233:9.0 234:2.0 243:715.0 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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 thymine 420133 255 1692 85:666.0 86:403.0 87:19.0 88:154.0 89:59.0 93:39.0 95:146.0 96:167.0 97:1054.0 98:449.0 99:544.0 100:1474.0 101:116.0 102:23.0 105:17.0 106:562.0 107:491.0 108:82.0 109:39.0 110:831.0 111:563.0 112:311.0 113:8547.0 114:897.0 115:368.0 117:358.0 118:32.0 119:29.0 120:1384.0 121:49.0 123:97.0 124:39.0 125:126.0 126:53.0 127:157.0 129:12.0 130:638.0 131:1043.0 132:150.0 133:491.0 134:105.0 136:32.0 138:12.0 139:141.0 140:1749.0 141:240.0 142:107.0 143:162.0 144:100.0 147:5740.0 148:594.0 149:415.0 152:10.0 153:11.0 154:136.0 155:15.0 156:31.0 157:56.0 158:473.0 159:80.0 162:1.0 164:9.0 165:68.0 166:8.0 167:5.0 169:168.0 170:43.0 174:40.0 181:25.0 182:69.0 183:140.0 184:14.0 185:494.0 186:52.0 196:36.0 197:113.0 198:63.0 199:102.0 211:28.0 225:19.0 228:69.0 239:594.0 240:139.0 241:57.0 242:35.0 254:3.0 255:9015.0 256:2108.0 257:800.0 258:145.0 264:10.0 269:50.0 270:2470.0 271:527.0 272:190.0 274:6.0 275:15.0 287:8.0 297:2.0 301:14.0 303:21.0 312:7.0 328:24.0 332:12.0 335:6.0 338:35.0 341:11.0 349:7.0 363:15.0 368:1.0 391:11.0 396:8.0 410:14.0 413:7.0 434:6.0 442:16.0 452:7.0 455:8.0 458:10.0 465:43.0 467:21.0 494:23.0 495:14.0 499:2.0 1135 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N threonine 410833 218 34161 85:85.0 86:270.0 87:738.0 88:1178.0 89:212.0 90:63.0 91:27.0 93:61.0 95:28.0 97:17.0 99:358.0 100:6.0 101:755.0 102:782.0 103:880.0 104:5.0 105:2.0 106:4.0 107:8.0 108:41.0 110:57.0 115:166.0 116:508.0 117:13060.0 118:1494.0 119:761.0 120:18.0 127:16.0 129:1839.0 130:839.0 131:558.0 132:28.0 133:856.0 134:502.0 136:30.0 137:43.0 139:15.0 140:193.0 144:142.0 145:431.0 146:21.0 147:4353.0 148:710.0 149:478.0 150:146.0 163:35.0 171:59.0 174:37.0 176:7.0 180:2.0 183:8.0 184:15.0 185:15.0 187:10.0 189:407.0 190:45.0 191:1370.0 192:210.0 193:54.0 194:21.0 198:5.0 203:33.0 204:92.0 208:4.0 217:106.0 218:430.0 219:1219.0 220:314.0 221:186.0 222:39.0 227:23.0 229:5.0 233:103.0 242:5.0 245:40.0 247:15.0 249:13.0 251:6.0 260:2.0 262:8.0 267:2.0 268:5.0 278:14.0 291:366.0 292:69.0 299:23.0 309:5.0 314:3.0 336:1.0 355:1.0 376:1.0 460:6.0 465:4.0 487:2.0 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N threonic acid 495994 292 390230 89:571.0 90:94.0 91:633.0 97:143.0 98:231.0 99:220.0 100:69.0 101:471.0 102:1805.0 103:2662.0 104:366.0 105:490.0 107:232.0 108:128.0 110:533.0 113:56.0 115:731.0 116:269.0 117:2889.0 118:345.0 119:395.0 124:56.0 128:303.0 129:879.0 130:1406.0 131:1049.0 132:191.0 133:1619.0 135:300.0 141:64.0 142:43.0 143:652.0 144:27.0 147:9050.0 148:1319.0 149:1027.0 150:128.0 151:167.0 152:112.0 153:44.0 157:69.0 158:30.0 162:39.0 163:154.0 164:60.0 171:115.0 172:45.0 173:55.0 175:727.0 176:94.0 177:473.0 178:59.0 179:86.0 185:59.0 189:506.0 190:106.0 191:448.0 192:118.0 200:526.0 201:68.0 203:182.0 204:274.0 205:1758.0 206:363.0 207:606.0 216:32.0 217:1391.0 218:270.0 219:233.0 220:1557.0 221:588.0 222:196.0 224:42.0 231:33.0 233:78.0 235:65.0 245:225.0 246:61.0 247:114.0 248:36.0 254:183.0 260:90.0 261:25.0 262:54.0 263:5163.0 264:1075.0 265:324.0 266:57.0 277:124.0 278:542.0 279:182.0 280:44.0 291:231.0 292:2106.0 293:648.0 294:279.0 305:36.0 307:34.0 308:25.0 319:198.0 320:47.0 321:30.0 334:18.0 335:28.0 338:18.0 368:17.0 377:19.0 379:30.0 401:53.0 409:51.0 410:33.0 417:41.0 443:21.0 459:26.0 466:26.0 499:24.0 5460407 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N threitol 467595 217 770 85:123.0 86:39.0 87:235.0 88:92.0 89:794.0 91:41.0 92:65.0 93:48.0 94:22.0 97:38.0 101:1040.0 102:87.0 103:5119.0 104:409.0 105:302.0 106:38.0 112:26.0 113:47.0 114:17.0 115:225.0 116:875.0 117:3651.0 118:353.0 119:290.0 129:736.0 131:620.0 132:62.0 133:1389.0 134:137.0 135:41.0 143:141.0 145:31.0 147:6122.0 148:886.0 149:553.0 151:42.0 165:22.0 175:40.0 189:971.0 190:191.0 191:521.0 192:94.0 193:50.0 203:49.0 204:764.0 205:1338.0 206:227.0 207:116.0 217:3062.0 218:559.0 219:240.0 221:100.0 228:32.0 231:35.0 248:15.0 275:28.0 276:19.0 277:75.0 284:38.0 286:26.0 293:89.0 305:72.0 307:173.0 309:24.0 316:17.0 322:20.0 329:14.0 331:22.0 337:12.0 342:14.0 344:27.0 351:22.0 386:19.0 409:16.0 411:17.0 421:15.0 452:20.0 481:25.0 169019 C16884 UNXHWFMMPAWVPI-QWWZWVQMSA-N terephthalic acid 612262 295 46252 93:32.0 97:573.0 99:581.0 100:343.0 103:753.0 104:407.0 105:160.0 110:73.0 113:443.0 114:186.0 127:331.0 135:303.0 136:17.0 140:23.0 141:407.0 142:11.0 148:5.0 150:16.0 155:406.0 165:8.0 169:133.0 170:13.0 171:22.0 177:12.0 178:23.0 181:6.0 183:11.0 193:31.0 194:38.0 198:15.0 199:12.0 201:24.0 202:2.0 203:18.0 204:9.0 210:13.0 211:54.0 212:16.0 214:8.0 216:3.0 221:330.0 222:60.0 230:10.0 237:12.0 239:1.0 243:6.0 251:236.0 252:71.0 253:73.0 254:5.0 257:36.0 260:18.0 273:7.0 279:5.0 282:7.0 287:11.0 289:3.0 290:4.0 294:58.0 295:975.0 296:189.0 297:44.0 298:4.0 300:8.0 301:64.0 302:23.0 304:10.0 308:5.0 309:10.0 310:17.0 313:6.0 314:5.0 315:5.0 318:16.0 321:5.0 322:8.0 331:9.0 338:16.0 341:2.0 346:5.0 348:3.0 350:4.0 357:4.0 361:6.0 365:4.0 366:8.0 368:4.0 374:1.0 375:6.0 378:6.0 381:10.0 382:4.0 383:1.0 384:7.0 386:11.0 387:4.0 388:1.0 392:1.0 393:8.0 395:3.0 398:5.0 400:7.0 403:6.0 408:5.0 410:2.0 417:2.0 419:7.0 421:2.0 425:7.0 434:7.0 437:3.0 442:9.0 443:6.0 444:2.0 446:1.0 449:3.0 454:5.0 456:7.0 458:3.0 459:4.0 464:12.0 466:3.0 469:4.0 470:8.0 472:5.0 473:4.0 479:6.0 483:7.0 485:1.0 496:6.0 7489 C06337 KKEYFWRCBNTPAC-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 spiro(4,5)siladecane MassBank 191736 126 517392 87:668.0 91:2621.0 93:1804.0 94:567.0 95:5374.0 96:5950.0 97:20238.0 98:37500.0 99:2642.0 100:5187.0 101:567.0 103:816.0 105:856.0 107:467.0 108:760.0 109:2052.0 112:544.0 117:636.0 120:249.0 121:191.0 123:435.0 126:30266.0 127:6076.0 130:1772.0 131:636.0 132:194.0 136:92.0 137:552.0 138:230.0 140:799.0 141:1133.0 147:2785.0 148:328.0 151:1116.0 152:1297.0 153:182.0 154:14637.0 155:1442.0 158:887.0 168:1195.0 169:144.0 172:511.0 173:378.0 174:1644.0 176:107.0 188:393.0 192:195.0 209:470.0 210:115.0 221:94.0 224:34.0 239:72.0 244:65.0 247:89.0 262:208.0 266:120.0 295:663.0 296:51.0 359:27.0 369:54.0 392:29.0 395:31.0 488:40.0 ICUSJPNKTSVHAM-UHFFFAOYSA-N spermidine 792924 144 1714 86:2249.0 87:97.0 88:90.0 98:50.0 99:209.0 100:1315.0 101:269.0 102:322.0 103:48.0 112:85.0 114:376.0 115:652.0 116:3899.0 117:324.0 118:176.0 123:24.0 126:189.0 128:490.0 129:447.0 130:615.0 131:43.0 132:12.0 140:80.0 142:727.0 144:4737.0 145:505.0 146:609.0 154:339.0 155:8.0 156:1970.0 157:646.0 158:219.0 159:4.0 160:1566.0 161:106.0 162:47.0 168:3.0 170:695.0 171:46.0 172:1272.0 173:230.0 174:2750.0 175:435.0 176:137.0 183:4.0 186:220.0 188:58.0 200:279.0 201:380.0 202:18.0 214:206.0 217:55.0 243:7.0 245:56.0 255:8.0 1102 C00315 ATHGHQPFGPMSJY-UHFFFAOYSA-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 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 877364 174 289 86:1575.0 87:129.0 100:692.0 101:93.0 102:165.0 104:20.0 114:24.0 115:88.0 116:53.0 117:164.0 128:56.0 130:151.0 131:121.0 146:256.0 148:98.0 158:30.0 170:19.0 172:56.0 174:3831.0 175:650.0 176:229.0 188:109.0 189:33.0 202:53.0 204:36.0 218:139.0 232:32.0 265:15.0 289:30.0 314:17.0 362:15.0 377:63.0 399:13.0 427:14.0 469:13.0 471:19.0 5202 C00780 QZAYGJVTTNCVMB-UHFFFAOYSA-N serine 508295 114 2038 85:102.0 86:96.0 87:36.0 88:1.0 89:50.0 91:24.0 93:47.0 96:2.0 100:1062.0 101:49.0 102:94.0 103:56.0 114:4384.0 115:477.0 116:43.0 117:47.0 118:2.0 120:58.0 126:11.0 127:6.0 128:2.0 129:58.0 130:25.0 131:17.0 132:4.0 133:59.0 134:8.0 135:2.0 136:29.0 146:29.0 147:1314.0 148:72.0 149:75.0 151:2.0 157:15.0 158:3.0 163:1.0 165:1.0 172:284.0 173:16.0 175:2.0 181:2.0 185:1.0 188:174.0 189:28.0 191:367.0 192:35.0 203:7.0 204:36.0 224:1.0 231:8.0 232:1.0 234:1.0 246:1.0 247:45.0 248:7.0 249:3.0 258:1.0 259:1.0 260:1.0 271:1.0 276:367.0 277:60.0 278:2.0 290:402.0 291:63.0 299:104.0 300:15.0 333:1.0 349:7.0 350:15.0 351:1.0 378:22.0 379:11.0 409:2.0 412:4.0 465:1.0 476:9.0 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 salicylic acid 480699 267 3063 85:285.0 86:220.0 87:2.0 89:1006.0 90:498.0 91:4530.0 92:934.0 93:295.0 94:14.0 95:336.0 96:295.0 98:121.0 99:41.0 100:8.0 102:149.0 103:549.0 104:235.0 105:892.0 106:168.0 107:90.0 108:111.0 109:204.0 111:75.0 112:87.0 115:867.0 116:172.0 117:148.0 118:237.0 119:617.0 120:447.0 121:352.0 122:47.0 123:228.0 124:84.0 126:602.0 128:74.0 129:64.0 130:169.0 131:828.0 132:86.0 133:2119.0 134:461.0 135:4118.0 136:605.0 137:444.0 138:55.0 140:34.0 141:2.0 145:163.0 146:22.0 147:2097.0 148:263.0 149:4505.0 150:808.0 151:1401.0 152:197.0 153:264.0 157:62.0 159:20.0 160:65.0 161:275.0 163:175.0 164:30.0 165:43.0 166:41.0 167:112.0 168:44.0 169:11.0 173:31.0 175:870.0 176:149.0 177:480.0 178:19.0 179:564.0 180:48.0 181:542.0 182:141.0 183:78.0 187:32.0 188:164.0 189:30.0 191:76.0 192:64.0 193:1966.0 194:390.0 195:486.0 196:112.0 198:19.0 200:88.0 202:58.0 204:46.0 205:31.0 207:209.0 208:70.0 209:3738.0 210:801.0 211:423.0 212:142.0 213:41.0 218:66.0 221:201.0 222:28.0 223:60.0 224:64.0 225:197.0 227:52.0 228:32.0 231:39.0 233:282.0 234:29.0 235:159.0 237:72.0 243:11.0 244:25.0 246:41.0 247:55.0 248:3.0 249:1053.0 250:425.0 251:196.0 252:56.0 253:48.0 255:31.0 258:16.0 260:20.0 261:71.0 262:65.0 263:31.0 264:70.0 265:249.0 266:61.0 267:15469.0 268:3535.0 269:1386.0 270:228.0 271:38.0 272:24.0 273:39.0 274:1.0 275:20.0 277:31.0 280:48.0 281:22.0 284:17.0 288:2.0 292:23.0 294:6.0 296:39.0 298:47.0 301:35.0 302:1.0 303:6.0 305:86.0 306:32.0 309:21.0 310:66.0 311:17.0 312:35.0 313:6.0 314:41.0 316:33.0 319:51.0 320:6.0 321:13.0 322:28.0 323:6.0 324:16.0 326:79.0 330:17.0 332:39.0 333:11.0 337:24.0 339:21.0 340:18.0 345:8.0 347:4.0 352:27.0 354:8.0 355:42.0 358:29.0 359:19.0 360:14.0 361:53.0 363:43.0 365:12.0 367:29.0 371:18.0 372:17.0 374:19.0 375:44.0 382:31.0 383:4.0 385:19.0 386:8.0 390:4.0 392:21.0 396:40.0 397:3.0 398:26.0 399:13.0 401:21.0 402:5.0 403:28.0 404:6.0 405:21.0 406:23.0 407:8.0 408:35.0 410:107.0 412:40.0 413:34.0 415:29.0 417:13.0 418:34.0 419:11.0 420:32.0 421:19.0 422:17.0 423:7.0 424:22.0 425:32.0 430:97.0 433:89.0 435:76.0 437:15.0 438:53.0 440:84.0 441:13.0 443:8.0 444:58.0 446:31.0 447:6.0 448:25.0 449:47.0 450:65.0 453:32.0 455:35.0 457:14.0 459:21.0 460:13.0 461:4.0 463:52.0 464:32.0 465:20.0 466:1.0 469:55.0 470:47.0 471:48.0 474:19.0 476:21.0 477:16.0 479:3.0 481:37.0 482:17.0 483:39.0 484:34.0 486:41.0 488:24.0 493:46.0 494:6.0 498:32.0 499:55.0 338 C00805 YGSDEFSMJLZEOE-UHFFFAOYSA-N ribose 553078 217 125857 86:256.0 88:77.0 89:2341.0 90:204.0 100:1244.0 102:397.0 103:25101.0 104:1858.0 105:1542.0 106:124.0 108:202.0 114:250.0 115:266.0 116:1750.0 117:824.0 118:141.0 119:131.0 125:92.0 128:189.0 130:320.0 131:658.0 132:835.0 133:1894.0 134:477.0 136:515.0 137:128.0 139:82.0 140:98.0 141:460.0 145:269.0 146:79.0 147:4568.0 148:451.0 153:48.0 158:165.0 159:162.0 160:1561.0 161:254.0 162:96.0 163:46.0 164:51.0 165:34.0 168:56.0 172:155.0 174:132.0 175:76.0 178:50.0 188:322.0 189:2784.0 190:337.0 191:329.0 193:31.0 198:97.0 200:81.0 201:83.0 202:59.0 207:64.0 216:158.0 218:175.0 219:158.0 221:60.0 231:435.0 232:126.0 233:441.0 234:43.0 235:30.0 258:124.0 259:40.0 262:186.0 272:44.0 274:83.0 277:453.0 278:157.0 279:84.0 287:21.0 291:71.0 303:22.0 305:53.0 306:60.0 307:2269.0 308:661.0 309:268.0 310:43.0 333:39.0 334:104.0 362:40.0 424:16.0 432:16.0 5779 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N ribonic acid 599680 292 1683 85:227.0 86:88.0 87:301.0 88:189.0 89:1714.0 90:165.0 92:75.0 93:53.0 98:147.0 99:481.0 100:3713.0 101:2153.0 102:4583.0 103:29677.0 104:2992.0 105:1403.0 110:143.0 111:44.0 112:63.0 113:396.0 114:93.0 115:933.0 116:854.0 117:9305.0 118:835.0 119:929.0 120:54.0 121:81.0 123:25.0 124:12.0 125:90.0 126:47.0 127:17.0 128:340.0 129:5571.0 130:3345.0 131:4080.0 132:826.0 133:8223.0 134:602.0 135:562.0 137:46.0 139:39.0 140:90.0 141:1032.0 142:367.0 143:4590.0 144:757.0 145:631.0 146:187.0 147:40238.0 148:5927.0 149:4310.0 150:456.0 151:211.0 152:3764.0 153:254.0 154:5.0 155:440.0 156:1116.0 157:2145.0 158:390.0 159:275.0 160:76.0 161:315.0 163:366.0 164:27.0 167:11.0 168:28.0 169:367.0 170:81.0 171:464.0 172:106.0 173:204.0 175:855.0 176:124.0 177:276.0 178:30.0 180:206.0 181:4.0 182:13.0 184:41.0 185:245.0 187:113.0 189:6811.0 190:1887.0 191:3135.0 192:378.0 193:214.0 194:8.0 196:26.0 199:45.0 201:322.0 202:97.0 203:463.0 204:4503.0 205:5434.0 206:1243.0 207:1278.0 208:287.0 212:19.0 215:438.0 216:90.0 217:19086.0 218:4004.0 219:2380.0 220:491.0 221:2259.0 222:441.0 223:216.0 226:21.0 228:33.0 229:322.0 230:129.0 231:533.0 232:109.0 233:105.0 234:47.0 236:5.0 241:1.0 243:59.0 244:15.0 245:275.0 246:137.0 247:35.0 248:5.0 249:28.0 253:25.0 256:42.0 257:1488.0 258:307.0 259:224.0 260:48.0 261:44.0 263:32.0 264:25.0 265:259.0 266:3.0 267:58.0 270:10.0 271:14.0 275:15.0 276:20.0 277:1814.0 278:581.0 279:322.0 280:11.0 282:12.0 285:10.0 288:3.0 289:8.0 291:439.0 292:17082.0 293:5121.0 294:2542.0 295:464.0 296:127.0 300:2.0 302:40.0 303:224.0 304:137.0 305:2932.0 306:977.0 307:2769.0 308:774.0 309:318.0 310:63.0 311:7.0 313:41.0 314:16.0 316:31.0 319:428.0 320:140.0 321:217.0 323:11.0 327:17.0 328:4.0 330:1.0 331:1193.0 332:400.0 333:2522.0 334:657.0 335:311.0 336:70.0 337:32.0 338:1.0 339:12.0 341:35.0 346:55.0 347:166.0 348:22.0 352:9.0 356:18.0 362:6.0 369:1.0 372:13.0 377:16.0 378:20.0 379:192.0 380:31.0 381:68.0 385:1.0 387:41.0 389:2.0 391:10.0 393:214.0 394:125.0 396:13.0 401:26.0 402:14.0 415:15.0 421:408.0 422:154.0 423:139.0 424:17.0 429:2.0 431:7.0 436:13.0 438:8.0 443:2.0 444:16.0 445:10.0 459:86.0 460:13.0 461:2.0 462:47.0 465:22.0 467:16.0 468:1.0 488:32.0 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 pyrophosphate 326948 110 1682 85:746.0 86:163.0 87:687.0 88:1639.0 89:589.0 90:1076.0 91:1108.0 92:214.0 93:247.0 94:75.0 95:175.0 96:4.0 97:644.0 98:363.0 99:463.0 102:47.0 103:235.0 104:105.0 105:404.0 106:240.0 107:1164.0 108:267.0 109:635.0 110:41771.0 111:1664.0 112:701.0 113:169.0 114:122.0 115:608.0 116:108.0 118:446.0 119:533.0 120:192.0 121:797.0 122:75.0 123:408.0 124:44.0 125:188.0 127:7532.0 128:943.0 129:611.0 130:317.0 131:365.0 132:204.0 133:1201.0 134:1755.0 135:2267.0 136:512.0 137:1930.0 138:299.0 139:171.0 140:6955.0 141:1128.0 142:2949.0 143:2159.0 144:266.0 145:108.0 146:107.0 147:313.0 148:20.0 149:101.0 150:75.0 151:565.0 152:219.0 153:104.0 154:48.0 155:108.0 157:43.0 158:9.0 159:731.0 160:308.0 161:105.0 162:85.0 163:298.0 164:125.0 165:131.0 166:28.0 167:143.0 168:45.0 169:164.0 170:114.0 171:32.0 172:1030.0 173:138.0 176:35.0 177:36.0 178:91.0 179:169.0 180:2.0 181:363.0 182:63.0 183:32.0 184:265.0 185:242.0 186:19.0 194:119.0 195:770.0 196:106.0 197:172.0 198:54.0 199:238.0 200:422.0 201:25.0 202:61.0 204:68.0 210:160.0 211:2133.0 212:367.0 213:189.0 214:62.0 216:259.0 217:22.0 218:6.0 224:7.0 225:1355.0 226:468.0 227:1877.0 228:396.0 229:522.0 230:106.0 231:19.0 232:25.0 233:45.0 234:14.0 235:4.0 236:12.0 238:281.0 239:74.0 240:140.0 241:3698.0 242:623.0 243:362.0 244:92.0 250:38.0 252:24.0 254:796.0 255:121.0 256:501.0 257:76.0 258:36.0 260:29.0 261:1.0 262:5.0 264:55.0 268:3.0 269:262.0 271:23.0 273:2.0 277:15.0 279:1.0 282:220.0 284:44.0 285:2.0 287:23.0 289:10.0 294:1.0 297:5.0 302:37.0 304:44.0 308:14.0 309:1.0 311:10.0 312:3.0 320:48.0 322:7.0 324:22.0 330:27.0 331:5.0 335:4.0 336:4063.0 337:823.0 338:348.0 339:29.0 340:42.0 341:4.0 343:4.0 348:5.0 350:8.0 351:112.0 352:50.0 353:23.0 355:16.0 358:15.0 360:11.0 361:10.0 363:12.0 367:11.0 370:37.0 372:3.0 373:1.0 383:21.0 390:23.0 391:1.0 393:3.0 395:17.0 401:8.0 403:5.0 404:10.0 406:2.0 407:20.0 416:33.0 420:18.0 422:1.0 424:9.0 434:8.0 435:28.0 439:9.0 440:3.0 442:7.0 444:13.0 449:7.0 453:2.0 459:23.0 465:5.0 467:24.0 469:12.0 478:33.0 486:13.0 488:4.0 490:4.0 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 99:253.0 100:1259.0 101:467.0 102:246.0 103:1528.0 104:31.0 105:44.0 106:207.0 107:166.0 109:7.0 110:112.0 111:375.0 113:146.0 114:80.0 115:64.0 116:328.0 117:474.0 118:55.0 122:3.0 124:1.0 125:164.0 127:342.0 128:214.0 129:1201.0 130:286.0 131:481.0 132:107.0 133:1244.0 134:252.0 136:17.0 137:5.0 140:118.0 141:89.0 142:644.0 143:887.0 144:172.0 145:62.0 147:4539.0 148:445.0 149:337.0 150:116.0 151:2.0 154:38.0 155:24.0 157:175.0 158:206.0 159:110.0 160:40.0 161:40.0 164:26.0 166:61.0 168:25.0 169:17.0 171:22.0 172:115.0 173:30.0 174:800.0 175:136.0 176:8.0 177:65.0 178:6.0 180:1.0 181:7.0 182:1.0 183:6.0 185:91.0 189:243.0 190:16.0 191:131.0 192:29.0 193:107.0 194:34.0 195:53.0 196:10.0 197:1.0 198:16.0 201:467.0 202:66.0 203:3.0 204:120.0 213:11.0 214:36.0 215:679.0 216:135.0 217:14462.0 218:2884.0 219:1244.0 220:165.0 221:79.0 222:23.0 223:5.0 228:1.0 230:434.0 231:113.0 232:18.0 233:3.0 239:74.0 240:30.0 241:38.0 243:3.0 251:47.0 253:18.0 254:44.0 255:82.0 256:3.0 257:7.0 262:17.0 265:47.0 267:239.0 268:17.0 269:572.0 270:83.0 271:29.0 272:1.0 280:32.0 281:81.0 282:61.0 283:191.0 284:39.0 285:39.0 286:16.0 291:38.0 295:4.0 297:21.0 311:58.0 323:17.0 328:25.0 341:13.0 355:312.0 356:157.0 357:1485.0 358:449.0 359:217.0 360:14.0 369:51.0 370:56.0 371:256.0 372:97.0 383:208.0 384:50.0 385:1.0 386:80.0 395:23.0 409:27.0 411:194.0 412:15.0 424:660.0 425:232.0 426:124.0 427:8.0 440:9.0 443:16.0 446:23.0 453:1.0 473:10.0 495:30.0 496:59.0 498:10.0 499:21.0 500:38.0 15047 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N proline 364523 142 171970 85:1055.0 86:1908.0 87:916.0 88:634.0 95:165.0 96:356.0 97:345.0 99:1005.0 100:3118.0 101:1393.0 103:251.0 106:185.0 107:211.0 108:134.0 113:1037.0 114:294.0 115:1417.0 118:96.0 121:64.0 126:275.0 128:58.0 131:365.0 133:1875.0 140:1177.0 142:96461.0 143:13706.0 144:4081.0 145:234.0 147:1734.0 148:505.0 155:204.0 170:1119.0 174:120.0 175:34.0 176:111.0 181:141.0 184:74.0 196:36.0 204:70.0 215:33.0 216:2269.0 217:809.0 218:458.0 230:99.0 244:377.0 256:31.0 275:25.0 302:25.0 317:34.0 347:29.0 390:25.0 145742 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-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 99:2491.0 100:203982.0 101:23440.0 102:10502.0 103:8600.0 104:1871.0 105:4659.0 106:990.0 107:3114.0 108:204.0 109:543.0 111:145.0 112:388.0 113:3848.0 114:98861.0 115:59768.0 116:15091.0 117:9619.0 118:1800.0 119:8190.0 120:1538.0 121:5493.0 122:606.0 123:1961.0 124:515.0 125:85.0 128:62.0 129:2129.0 130:30382.0 131:14533.0 132:4840.0 133:53920.0 134:6221.0 135:20939.0 136:2565.0 137:8091.0 138:859.0 139:660.0 140:175.0 141:39.0 142:480.0 143:429.0 144:1058.0 145:853.0 146:2326.0 147:19561.0 148:2696.0 149:2350.0 150:593.0 151:6437.0 152:763.0 153:1171.0 154:260.0 155:22.0 156:709.0 157:254.0 158:1418.0 159:387.0 160:419.0 161:351.0 162:167.0 163:1734.0 164:318.0 165:2830.0 166:497.0 167:2413.0 168:318.0 169:281.0 170:660.0 171:361.0 172:122311.0 173:23433.0 174:125344.0 175:23127.0 176:10057.0 177:3022.0 178:1046.0 179:3142.0 180:684.0 181:8784.0 182:1323.0 183:2992.0 184:64.0 185:156.0 186:1906.0 187:11777.0 188:79520.0 189:20208.0 190:8044.0 191:10923.0 192:2705.0 193:16591.0 194:3172.0 195:9027.0 196:1564.0 197:2092.0 198:253.0 199:283.0 200:85.0 201:117.0 202:55.0 203:294.0 204:221.0 205:2997.0 206:768.0 207:14594.0 208:3232.0 209:3098.0 210:2025.0 211:28375.0 212:3741.0 213:2527.0 214:276.0 215:107.0 216:181.0 217:100.0 219:28.0 221:1363.0 222:185.0 224:87.0 225:10937.0 226:2086.0 227:2518.0 228:393.0 229:88.0 230:53.0 231:38.0 232:392.0 233:79.0 234:40.0 235:71.0 236:964.0 237:366.0 238:344.0 239:228.0 240:775.0 241:761.0 242:179.0 243:172.0 244:8.0 246:5.0 247:38.0 249:281.0 250:97.0 251:28.0 252:391.0 253:729.0 254:353.0 255:865.0 256:158.0 257:127.0 265:118.0 266:127.0 267:794.0 268:625.0 269:1892.0 270:458.0 271:262.0 272:45.0 273:4.0 276:35.0 278:27.0 280:14.0 281:87.0 282:212.0 283:7536.0 284:2227.0 285:2163.0 286:428.0 287:268.0 288:37.0 290:3.0 291:51.0 294:170.0 295:109.0 296:24.0 297:188.0 298:5767.0 299:122279.0 300:32289.0 301:17320.0 302:3081.0 303:1002.0 304:54.0 305:98.0 306:74.0 307:99.0 308:150.0 309:224.0 310:2417.0 311:689.0 312:412.0 313:1724.0 314:9778.0 315:25666.0 316:7519.0 317:3548.0 318:701.0 319:256.0 320:102.0 321:109.0 322:35.0 323:37.0 324:53.0 325:132.0 326:4887.0 327:1738.0 328:21639.0 329:5681.0 330:3172.0 331:674.0 332:106.0 334:22.0 335:2.0 337:21.0 340:99.0 341:1329.0 342:343.0 343:144.0 350:31.0 352:25.0 353:7.0 354:3.0 355:71.0 356:134.0 357:68.0 358:22.0 359:14.0 366:3.0 367:28.0 371:101.0 372:68.0 373:176.0 374:88.0 383:63.0 384:103.0 386:291.0 387:1347.0 388:541.0 389:283.0 390:28.0 398:115.0 399:44.0 400:25.0 401:38.0 402:6.0 413:316.0 414:7758.0 415:3240.0 416:1706.0 417:509.0 418:131.0 420:7.0 429:155.0 431:19.0 435:6.0 454:6.0 470:12.0 471:17.0 492:1.0 1015 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N 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 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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 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 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 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 713809 313 11 85:5547.0 86:2174.0 87:1945.0 88:1374.0 89:4967.0 90:773.0 91:1518.0 92:318.0 93:3798.0 94:511.0 95:10592.0 96:1486.0 97:8747.0 98:6953.0 99:4528.0 100:714.0 101:2700.0 102:872.0 103:543.0 105:5528.0 106:406.0 107:1555.0 108:180.0 109:2908.0 110:516.0 111:3724.0 112:1696.0 113:834.0 114:115.0 115:1629.0 116:11477.0 117:187825.0 118:18078.0 119:7322.0 120:225.0 121:1203.0 122:69.0 123:876.0 124:284.0 125:785.0 126:665.0 127:1046.0 128:874.0 129:85186.0 130:10537.0 131:29280.0 132:63732.0 133:12286.0 134:2792.0 135:1095.0 136:18.0 137:184.0 138:79.0 139:360.0 140:397.0 141:366.0 142:251.0 143:5894.0 144:548.0 145:34708.0 146:3903.0 147:1102.0 149:118.0 150:88.0 151:91.0 153:268.0 154:485.0 155:492.0 156:133.0 157:1550.0 158:290.0 159:2960.0 160:496.0 161:172.0 167:306.0 168:201.0 169:235.0 171:2833.0 172:309.0 173:923.0 174:523.0 175:123.0 177:125.0 180:41.0 181:281.0 182:321.0 183:116.0 184:72.0 185:3833.0 186:643.0 187:2450.0 188:684.0 189:189.0 190:75.0 191:117.0 192:33.0 195:534.0 196:154.0 197:77.0 198:60.0 199:878.0 200:221.0 201:5814.0 202:897.0 203:262.0 204:56.0 205:82.0 206:12.0 207:95.0 209:167.0 210:77.0 211:83.0 213:781.0 214:135.0 215:704.0 216:260.0 218:43.0 219:121.0 225:8.0 226:45.0 227:836.0 228:131.0 229:970.0 230:260.0 231:66.0 232:63.0 233:50.0 237:86.0 238:74.0 239:120.0 241:521.0 242:174.0 243:1204.0 244:298.0 245:119.0 255:146.0 256:61.0 257:536.0 258:194.0 269:1449.0 270:456.0 271:471.0 272:143.0 273:123.0 274:69.0 276:39.0 283:255.0 285:1333.0 286:374.0 287:77.0 291:38.0 298:25.0 299:202.0 300:49.0 301:74.0 304:53.0 311:65.0 312:749.0 313:22319.0 314:6366.0 315:1513.0 316:230.0 327:92.0 328:1505.0 329:376.0 330:125.0 332:25.0 353:30.0 358:23.0 375:50.0 382:31.0 388:56.0 398:45.0 399:36.0 400:24.0 408:48.0 420:45.0 421:25.0 425:20.0 442:30.0 458:35.0 459:30.0 461:31.0 466:39.0 474:39.0 493:42.0 985 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 594051 174 621 86:2512.0 87:360.0 90:9.0 94:31.0 97:64.0 98:210.0 100:1321.0 101:264.0 102:406.0 114:91.0 116:63.0 121:21.0 125:34.0 126:120.0 128:336.0 130:841.0 132:70.0 140:63.0 142:1152.0 143:341.0 144:214.0 145:68.0 146:367.0 149:149.0 150:37.0 154:124.0 158:97.0 159:55.0 161:28.0 164:28.0 169:30.0 171:51.0 172:213.0 173:64.0 174:5256.0 175:719.0 176:244.0 177:52.0 184:18.0 186:1225.0 187:241.0 188:102.0 194:17.0 200:79.0 203:20.0 216:9.0 220:23.0 226:22.0 234:21.0 244:284.0 245:9.0 250:18.0 254:13.0 257:33.0 258:100.0 259:43.0 282:26.0 289:14.0 305:19.0 314:25.0 318:14.0 319:21.0 326:17.0 330:13.0 348:80.0 349:49.0 378:18.0 400:14.0 402:20.0 409:23.0 418:19.0 421:16.0 426:18.0 432:14.0 442:22.0 467:15.0 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N oleic acid 779120 339 43 85:2268.0 86:703.0 87:608.0 88:472.0 89:1302.0 90:134.0 91:1987.0 92:342.0 93:2662.0 94:1268.0 95:7406.0 96:10672.0 97:6738.0 98:7712.0 99:1578.0 100:201.0 101:682.0 102:145.0 103:388.0 104:124.0 105:1450.0 106:261.0 107:1323.0 108:726.0 109:3302.0 110:3665.0 111:2689.0 112:1153.0 113:264.0 114:114.0 115:259.0 116:3180.0 117:34280.0 118:3347.0 119:2670.0 120:259.0 121:1238.0 122:553.0 123:2546.0 124:1400.0 125:653.0 126:61.0 127:330.0 129:26514.0 130:2892.0 131:5601.0 132:4641.0 133:2024.0 134:898.0 135:644.0 136:168.0 137:1491.0 138:987.0 139:415.0 140:159.0 141:275.0 142:202.0 143:1451.0 144:206.0 145:8576.0 146:943.0 147:1511.0 148:170.0 149:213.0 151:827.0 152:1151.0 153:234.0 154:47.0 155:918.0 156:310.0 157:692.0 158:287.0 159:631.0 160:183.0 161:319.0 162:97.0 164:78.0 165:470.0 166:763.0 167:319.0 168:163.0 169:647.0 170:262.0 171:1081.0 172:337.0 173:452.0 174:126.0 175:145.0 176:79.0 177:52.0 179:76.0 180:898.0 181:303.0 182:58.0 183:783.0 184:144.0 185:1676.0 186:316.0 187:260.0 188:203.0 189:91.0 193:156.0 194:179.0 195:47.0 197:136.0 198:86.0 199:1920.0 200:406.0 201:419.0 207:221.0 208:138.0 209:65.0 210:58.0 211:118.0 212:33.0 213:348.0 214:33.0 215:70.0 216:51.0 220:148.0 221:285.0 222:992.0 223:267.0 224:53.0 225:109.0 226:28.0 227:283.0 228:72.0 234:37.0 235:184.0 236:165.0 237:75.0 238:17.0 239:44.0 240:37.0 241:360.0 242:97.0 243:19.0 246:56.0 247:42.0 249:36.0 250:32.0 253:76.0 255:153.0 257:96.0 264:771.0 265:203.0 266:33.0 267:29.0 268:18.0 269:43.0 271:84.0 272:125.0 278:27.0 279:26.0 281:20.0 282:44.0 286:49.0 287:26.0 290:25.0 295:87.0 296:44.0 298:52.0 311:77.0 313:36.0 315:30.0 316:19.0 320:13.0 323:37.0 324:21.0 325:60.0 330:38.0 331:31.0 333:6.0 336:31.0 338:215.0 339:3052.0 340:1051.0 341:266.0 344:32.0 346:23.0 348:27.0 352:25.0 353:38.0 354:197.0 355:27.0 356:35.0 357:41.0 365:26.0 372:26.0 373:25.0 375:28.0 376:18.0 378:42.0 379:24.0 380:7.0 383:21.0 388:14.0 392:16.0 396:34.0 397:29.0 399:46.0 400:33.0 403:43.0 405:40.0 406:37.0 411:35.0 429:21.0 430:14.0 433:27.0 453:15.0 454:31.0 455:28.0 456:57.0 457:22.0 459:37.0 460:23.0 465:13.0 469:14.0 484:16.0 493:20.0 496:41.0 497:26.0 499:18.0 500:20.0 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 octadecylglycerol 928878 205 104598 85:1831.0 86:134.0 87:138.0 88:115.0 89:743.0 90:83.0 91:171.0 92:39.0 93:52.0 95:256.0 96:162.0 97:977.0 98:173.0 99:522.0 101:1457.0 102:162.0 103:3138.0 104:204.0 105:391.0 106:54.0 107:36.0 108:56.0 109:132.0 110:53.0 111:262.0 112:70.0 113:205.0 115:569.0 116:1378.0 117:8624.0 118:625.0 119:566.0 120:50.0 125:110.0 126:47.0 127:111.0 129:1655.0 130:3660.0 131:3655.0 132:694.0 133:5745.0 134:483.0 135:244.0 136:20.0 139:26.0 141:41.0 143:75.0 145:154.0 146:41.0 147:7066.0 148:1180.0 149:1103.0 150:97.0 151:48.0 153:16.0 155:19.0 159:68.0 160:25.0 162:20.0 163:52.0 166:14.0 167:29.0 169:25.0 173:25.0 174:33.0 175:302.0 176:60.0 177:266.0 179:48.0 184:26.0 185:16.0 186:19.0 189:156.0 191:56.0 197:16.0 204:576.0 205:7824.0 206:1274.0 207:625.0 208:74.0 209:26.0 221:43.0 226:12.0 231:12.0 243:14.0 250:25.0 251:23.0 257:28.0 258:14.0 259:16.0 265:17.0 266:15.0 279:20.0 284:22.0 288:12.0 296:19.0 310:32.0 311:30.0 317:13.0 324:12.0 339:22.0 341:108.0 343:23.0 354:11.0 368:20.0 374:12.0 375:21.0 377:22.0 384:29.0 386:29.0 396:16.0 398:15.0 400:12.0 402:21.0 407:35.0 413:16.0 416:14.0 418:21.0 421:22.0 425:25.0 426:17.0 427:18.0 438:25.0 440:13.0 441:15.0 452:14.0 456:11.0 458:16.0 459:26.0 461:17.0 472:13.0 473:36.0 477:26.0 478:12.0 482:20.0 484:22.0 486:20.0 488:16.0 491:20.0 495:13.0 496:16.0 497:18.0 499:18.0 3681 C13858 OGBUMNBNEWYMNJ-UHFFFAOYSA-N octadecanol 755409 327 997 85:3812.0 86:224.0 87:853.0 88:401.0 89:7207.0 90:593.0 91:2611.0 92:281.0 93:206.0 94:57.0 95:784.0 96:291.0 97:9121.0 98:859.0 99:2097.0 100:378.0 101:3627.0 102:510.0 103:8469.0 104:862.0 105:36.0 109:308.0 110:74.0 111:3878.0 112:352.0 113:980.0 115:1693.0 116:209.0 121:32.0 123:60.0 124:45.0 125:1173.0 126:164.0 127:120.0 129:1075.0 137:28.0 139:257.0 140:47.0 141:118.0 143:377.0 144:41.0 145:73.0 148:139.0 153:32.0 155:55.0 158:81.0 168:52.0 169:50.0 171:155.0 174:43.0 175:7.0 181:33.0 184:46.0 185:124.0 186:47.0 187:59.0 188:43.0 189:52.0 190:19.0 191:106.0 196:44.0 197:66.0 199:83.0 205:74.0 208:18.0 210:8.0 212:73.0 213:168.0 214:16.0 215:68.0 217:35.0 222:51.0 223:13.0 224:24.0 225:23.0 227:97.0 230:58.0 234:33.0 235:42.0 241:78.0 244:36.0 245:33.0 251:35.0 252:9.0 255:10.0 262:52.0 288:38.0 290:24.0 291:19.0 295:11.0 304:27.0 306:33.0 312:11.0 313:41.0 315:10.0 319:37.0 326:310.0 327:6103.0 328:1866.0 329:455.0 330:116.0 332:10.0 333:16.0 366:21.0 369:16.0 377:25.0 384:8.0 387:31.0 399:29.0 409:9.0 417:26.0 424:33.0 437:20.0 439:30.0 441:8.0 445:33.0 446:29.0 462:39.0 465:44.0 470:11.0 473:39.0 8221 GLDOVTGHNKAZLK-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 MassBank 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 469827 179 1749 85:163.0 86:62.0 88:15.0 93:250.0 94:28.0 95:14.0 99:2.0 100:441.0 102:35.0 104:246.0 105:493.0 106:197.0 107:167.0 108:39.0 110:86.0 113:68.0 114:53.0 119:38.0 122:5.0 130:17.0 131:146.0 133:48.0 136:1730.0 137:162.0 138:49.0 143:12.0 147:1383.0 148:106.0 149:87.0 151:12.0 161:6.0 162:2.0 171:59.0 174:10.0 175:40.0 179:4411.0 180:519.0 181:144.0 183:21.0 184:100.0 186:1.0 189:21.0 190:22.0 191:17.0 193:247.0 194:104.0 201:89.0 204:4.0 205:40.0 210:32.0 213:5.0 217:3.0 218:11.0 219:7.0 226:19.0 231:7.0 233:16.0 238:29.0 241:16.0 243:398.0 244:67.0 245:37.0 247:2.0 257:6.0 272:10.0 283:14.0 287:1.0 294:28.0 298:1.0 299:1.0 300:39.0 304:1.0 313:8.0 319:6.0 331:11.0 343:1.0 358:8.0 365:9.0 374:8.0 376:21.0 379:28.0 392:27.0 408:6.0 417:20.0 439:5.0 456:11.0 463:4.0 468:2.0 475:17.0 483:9.0 487:3.0 489:12.0 494:13.0 497:15.0 936 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N N-carbamylglutamate 651275 257 31579 85:444.0 86:356.0 87:75.0 88:49.0 89:402.0 90:65.0 91:36.0 94:105.0 95:68.0 97:120.0 98:161.0 99:285.0 100:1587.0 101:506.0 102:225.0 104:30.0 105:120.0 106:9.0 107:51.0 111:88.0 112:137.0 113:218.0 114:194.0 115:122.0 116:276.0 117:663.0 118:50.0 119:162.0 121:22.0 122:5.0 123:62.0 124:2.0 125:34.0 127:425.0 128:75.0 129:844.0 130:79.0 131:492.0 132:93.0 133:678.0 134:230.0 135:61.0 138:8.0 139:18.0 140:127.0 141:77.0 142:134.0 143:246.0 144:1.0 146:12.0 147:3313.0 148:264.0 149:469.0 154:31.0 155:110.0 156:417.0 157:245.0 158:61.0 159:87.0 161:56.0 163:44.0 164:2.0 166:43.0 167:29.0 168:44.0 169:232.0 170:20.0 171:36.0 172:130.0 173:145.0 174:379.0 175:126.0 177:68.0 179:92.0 181:29.0 183:295.0 184:115.0 185:15.0 186:1.0 188:59.0 189:266.0 192:23.0 194:11.0 197:29.0 198:41.0 200:8.0 201:77.0 202:10.0 203:57.0 204:302.0 205:104.0 206:76.0 207:27.0 213:16.0 214:155.0 215:54.0 217:1021.0 218:218.0 219:140.0 222:18.0 226:21.0 227:12.0 228:34.0 229:295.0 230:1114.0 231:168.0 232:95.0 233:45.0 238:7.0 239:27.0 241:97.0 242:59.0 243:252.0 244:132.0 245:73.0 246:22.0 247:6.0 250:11.0 252:33.0 255:98.0 256:119.0 257:2356.0 258:584.0 259:243.0 260:35.0 261:12.0 262:42.0 263:7.0 267:161.0 268:39.0 270:17.0 271:41.0 272:5.0 275:9.0 277:12.0 283:48.0 285:74.0 286:12.0 289:12.0 292:11.0 293:7.0 294:5.0 300:47.0 301:29.0 303:75.0 304:12.0 305:47.0 306:1.0 308:18.0 309:48.0 314:20.0 317:18.0 319:86.0 321:25.0 322:9.0 324:33.0 327:4.0 328:3.0 329:17.0 330:12.0 331:73.0 332:88.0 333:25.0 334:47.0 336:10.0 337:42.0 344:66.0 346:48.0 347:8.0 350:9.0 351:11.0 352:5.0 354:8.0 358:12.0 362:21.0 365:18.0 366:33.0 370:14.0 371:34.0 372:28.0 373:469.0 374:205.0 375:78.0 376:11.0 377:21.0 380:7.0 382:1.0 385:2.0 386:1.0 387:27.0 388:362.0 389:153.0 390:62.0 391:10.0 396:4.0 401:11.0 402:6.0 408:8.0 410:16.0 411:5.0 418:8.0 420:18.0 421:3.0 424:11.0 428:3.0 431:5.0 434:2.0 437:5.0 441:11.0 443:22.0 445:17.0 454:3.0 456:1.0 466:6.0 467:19.0 468:8.0 472:5.0 473:7.0 481:2.0 483:16.0 484:1.0 485:1.0 492:33.0 494:19.0 496:8.0 498:1.0 499:2.0 121396 C05829 LCQLHJZYVOQKHU-VKHMYHEASA-N N-acetylneuraminate MassBank 924909 290 100104 86:17.0 89:984.0 90:20.0 96:437.0 99:37.0 100:106.0 101:561.0 102:180.0 103:2607.0 109:14.0 114:469.0 116:644.0 117:1740.0 118:74.0 123:16.0 126:131.0 128:217.0 129:1275.0 130:231.0 131:247.0 132:269.0 133:2113.0 134:125.0 140:71.0 141:3.0 142:302.0 143:323.0 144:420.0 145:28.0 147:3616.0 148:106.0 149:392.0 151:10.0 152:15.0 153:75.0 154:94.0 155:49.0 156:713.0 157:636.0 158:130.0 159:8.0 160:230.0 161:34.0 167:35.0 168:75.0 169:57.0 170:197.0 171:52.0 172:136.0 173:39.0 174:39.0 177:35.0 179:21.0 182:28.0 186:195.0 187:48.0 188:91.0 189:257.0 192:40.0 193:10.0 194:140.0 195:83.0 197:34.0 198:6.0 200:141.0 201:110.0 202:3.0 204:1469.0 205:910.0 206:245.0 208:123.0 209:121.0 214:297.0 215:59.0 216:107.0 217:1630.0 218:300.0 219:143.0 221:70.0 225:29.0 227:149.0 228:35.0 229:120.0 230:384.0 231:99.0 232:69.0 233:160.0 239:16.0 240:3.0 242:50.0 243:54.0 244:83.0 245:372.0 246:862.0 247:166.0 248:25.0 249:48.0 251:26.0 252:8.0 253:24.0 255:34.0 257:24.0 258:203.0 259:69.0 260:52.0 261:51.0 265:93.0 267:16.0 268:29.0 269:71.0 270:7.0 271:72.0 272:143.0 273:166.0 274:45.0 275:247.0 276:41.0 277:60.0 278:13.0 281:124.0 282:172.0 284:66.0 285:100.0 286:28.0 287:42.0 288:14.0 289:85.0 290:2458.0 291:652.0 292:216.0 293:45.0 297:33.0 300:22.0 301:151.0 303:32.0 304:4.0 305:10.0 307:116.0 309:23.0 313:74.0 314:27.0 315:10.0 316:5.0 318:75.0 319:764.0 320:220.0 321:89.0 322:3.0 325:83.0 326:13.0 328:60.0 332:50.0 341:162.0 343:17.0 344:92.0 345:15.0 346:64.0 347:50.0 358:5.0 359:8.0 361:63.0 364:3.0 372:64.0 373:37.0 375:1.0 385:17.0 386:18.0 387:72.0 391:18.0 401:38.0 402:26.0 403:115.0 404:128.0 405:52.0 415:56.0 416:23.0 417:3.0 422:11.0 430:20.0 432:53.0 433:807.0 434:317.0 435:96.0 436:12.0 437:11.0 461:26.0 462:61.0 463:57.0 464:20.0 466:5.0 475:12.0 476:39.0 477:8.0 439197 C00270 SQVRNKJHWKZAKO-LUWBGTNYSA-N N-acetylmethionine MassBank 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-acetylglutamate 604748 216 62256 85:107814.0 86:18458.0 87:11769.0 88:11138.0 89:14892.0 90:2982.0 91:3720.0 92:524.0 93:740.0 94:486.0 95:6384.0 96:2407.0 97:5303.0 98:35189.0 99:25848.0 100:19887.0 101:23815.0 102:9882.0 103:77075.0 104:9354.0 105:4287.0 106:699.0 107:415.0 108:1738.0 109:1106.0 110:2483.0 111:20118.0 112:15357.0 113:5447.0 114:10062.0 115:11909.0 116:108594.0 117:47576.0 118:12294.0 119:6445.0 120:703.0 121:557.0 122:267.0 123:124.0 124:1230.0 125:4404.0 126:166496.0 127:21377.0 128:6040.0 129:37019.0 130:31951.0 131:37579.0 132:11043.0 133:43197.0 134:7480.0 135:4064.0 136:709.0 137:280.0 138:1999.0 139:934.0 140:14772.0 141:5268.0 142:30289.0 143:10726.0 144:14135.0 145:12872.0 146:28630.0 147:69669.0 148:12460.0 149:25205.0 150:3795.0 151:1987.0 152:1140.0 153:22999.0 154:5018.0 155:1445.0 156:195019.0 157:45022.0 158:183647.0 159:65313.0 160:16541.0 161:3350.0 162:2353.0 163:1705.0 164:1003.0 165:843.0 166:641.0 167:330.0 168:514.0 169:3825.0 170:9647.0 171:6038.0 172:17669.0 173:9142.0 174:60911.0 175:12669.0 176:3460.0 177:973.0 178:325.0 179:733.0 180:494.0 181:347.0 182:2076.0 183:1229.0 184:15673.0 185:5443.0 186:98398.0 187:22656.0 188:6528.0 189:12610.0 190:2709.0 191:2631.0 192:1052.0 193:696.0 194:160.0 196:285.0 197:725.0 198:2226.0 199:5597.0 200:22415.0 201:7725.0 202:6117.0 203:2619.0 204:14199.0 205:3911.0 206:1546.0 207:206.0 208:155.0 210:398.0 211:566.0 212:388.0 213:275.0 214:1345.0 215:1201.0 216:132595.0 217:37251.0 218:9971.0 219:1712.0 220:518.0 221:50.0 223:149.0 224:132.0 225:260.0 226:3052.0 227:949.0 228:55985.0 229:9110.0 230:15162.0 231:4109.0 232:1748.0 233:1645.0 234:445.0 235:642.0 236:161.0 238:63.0 239:110.0 241:202.0 242:194.0 243:9674.0 244:3070.0 245:979.0 246:393.0 247:196.0 248:1287.0 249:1619.0 250:624.0 251:267.0 252:152.0 253:219.0 254:142.0 255:124.0 256:171.0 257:239.0 258:760.0 259:1802.0 260:642.0 261:927.0 262:305.0 263:212.0 265:107.0 266:91.0 267:119.0 268:125.0 269:67.0 270:130.0 271:149.0 272:458.0 273:299.0 274:637.0 275:382.0 276:16201.0 277:14476.0 278:5511.0 279:1758.0 280:475.0 281:66.0 282:121.0 283:104.0 284:429.0 285:230.0 286:143.0 287:167.0 288:314.0 289:2130.0 290:6194.0 291:2490.0 292:919.0 293:354.0 294:207.0 295:111.0 296:112.0 297:142.0 300:889.0 301:515.0 304:103.0 305:192.0 306:164.0 307:457.0 308:234.0 309:168.0 310:68.0 311:58.0 312:32.0 315:330.0 317:680.0 318:32817.0 319:10976.0 320:3888.0 321:745.0 322:182.0 323:62.0 324:21.0 325:2.0 331:9.0 333:526.0 334:217.0 335:130.0 336:26.0 339:7.0 341:20.0 343:6.0 344:35.0 345:51.0 346:28.0 347:31.0 348:132.0 349:59.0 350:20.0 351:10.0 352:12.0 356:11.0 358:132.0 359:72.0 360:34.0 361:43.0 362:39.0 363:21.0 367:4.0 369:7.0 371:18.0 374:17.0 375:24.0 376:71.0 377:30.0 378:29.0 379:120.0 380:50.0 381:25.0 383:6.0 384:18.0 386:24.0 387:58.0 388:51.0 390:57.0 391:18.0 394:22.0 398:5.0 400:1.0 404:46.0 405:34.0 406:10.0 420:14.0 422:9.0 423:1.0 425:6.0 426:10.0 427:9.0 435:25.0 436:7.0 437:7.0 439:8.0 440:10.0 442:1.0 443:12.0 444:6.0 445:20.0 447:2.0 448:6.0 449:1.0 450:7.0 451:9.0 452:3.0 455:10.0 456:10.0 458:2.0 463:16.0 465:27.0 466:21.0 468:15.0 470:2.0 474:3.0 476:5.0 477:6.0 478:1.0 480:4.0 482:3.0 483:1.0 487:1.0 490:1.0 491:9.0 493:2.0 494:15.0 495:34.0 497:8.0 498:6.0 499:6.0 500:6.0 70914 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N N-acetyl-D-galactosamine 720730 319 16829 85:5.0 87:21.0 89:522.0 90:3.0 91:16.0 92:2.0 96:5.0 99:15.0 100:381.0 101:81.0 102:1.0 103:551.0 104:46.0 105:18.0 107:5.0 109:4.0 112:43.0 113:156.0 114:271.0 116:297.0 117:1378.0 118:2.0 127:178.0 128:2.0 129:2030.0 130:131.0 131:17.0 133:111.0 135:22.0 136:1.0 137:1.0 139:11.0 141:32.0 142:43.0 143:40.0 145:60.0 147:2330.0 148:379.0 149:5.0 150:1.0 155:89.0 156:73.0 157:1463.0 158:237.0 159:678.0 160:13.0 161:26.0 162:14.0 163:10.0 170:19.0 171:185.0 172:20.0 173:355.0 174:22.0 175:40.0 176:10.0 177:5.0 178:2.0 179:1.0 182:44.0 184:41.0 188:25.0 189:113.0 191:36.0 192:5.0 193:36.0 194:5.0 195:4.0 201:1147.0 202:569.0 203:35.0 204:315.0 205:2784.0 206:517.0 207:552.0 208:210.0 209:72.0 210:20.0 211:15.0 213:83.0 214:19.0 216:3.0 217:395.0 218:40.0 221:451.0 222:85.0 224:14.0 229:317.0 230:171.0 231:37.0 232:6.0 233:12.0 234:1.0 240:2.0 242:27.0 243:149.0 244:59.0 245:78.0 246:19.0 247:1.0 250:2.0 254:4.0 257:16.0 259:12.0 261:33.0 265:7.0 266:34.0 267:3.0 268:40.0 269:37.0 271:2.0 273:4.0 274:68.0 275:14.0 277:39.0 279:10.0 281:122.0 282:77.0 283:54.0 285:50.0 288:3.0 291:38.0 292:19.0 297:53.0 299:33.0 302:4.0 303:9.0 305:90.0 313:39.0 315:150.0 316:66.0 317:15.0 318:55.0 319:1709.0 320:544.0 321:301.0 322:35.0 323:17.0 324:15.0 326:1.0 327:41.0 329:28.0 331:3.0 332:7.0 333:10.0 334:2.0 335:1.0 336:5.0 338:1.0 339:5.0 341:79.0 343:17.0 345:5.0 350:1.0 353:1.0 354:3.0 355:103.0 356:3.0 357:10.0 368:1.0 374:54.0 375:23.0 376:2.0 380:3.0 383:11.0 387:5.0 393:1.0 401:1.0 404:1.0 405:12.0 412:11.0 416:12.0 417:29.0 429:5.0 430:5.0 431:1.0 441:4.0 446:1.0 448:27.0 460:2.0 461:102.0 462:7.0 463:18.0 474:1.0 477:2.0 478:1.0 479:7.0 489:10.0 491:3.0 497:2.0 498:4.0 440552 C05021 OVRNDRQMDRJTHS-JAJWTYFOSA-N N-acetylaspartate 550762 274 925 85:512.0 86:148.0 87:210.0 88:43.0 89:102.0 90:63.0 94:32.0 97:91.0 98:297.0 99:243.0 100:2054.0 101:796.0 102:256.0 103:303.0 105:130.0 109:20.0 111:96.0 112:4423.0 113:379.0 114:486.0 115:605.0 116:2310.0 117:1112.0 118:181.0 119:146.0 124:17.0 126:99.0 127:267.0 128:273.0 129:1049.0 130:616.0 131:1014.0 132:186.0 133:2103.0 134:304.0 135:194.0 136:20.0 137:42.0 140:32.0 142:1264.0 143:250.0 144:575.0 145:207.0 147:6071.0 148:941.0 149:1002.0 150:150.0 153:13.0 155:149.0 156:1518.0 157:339.0 158:623.0 159:36.0 160:207.0 161:12.0 163:148.0 168:42.0 170:81.0 171:143.0 172:83.0 173:58.0 174:155.0 175:112.0 183:76.0 184:4962.0 185:528.0 186:451.0 187:95.0 188:90.0 189:129.0 190:127.0 202:118.0 203:47.0 204:36.0 211:51.0 213:20.0 215:46.0 216:49.0 217:179.0 218:450.0 219:122.0 229:32.0 230:1530.0 231:254.0 232:782.0 233:148.0 234:103.0 235:24.0 243:12.0 244:20.0 245:1058.0 246:114.0 247:64.0 258:332.0 259:27.0 260:208.0 273:150.0 274:4306.0 275:657.0 276:304.0 280:33.0 286:129.0 289:29.0 290:13.0 300:12.0 301:130.0 304:55.0 306:111.0 318:25.0 325:24.0 328:27.0 330:21.0 348:110.0 349:79.0 350:18.0 359:36.0 376:338.0 377:123.0 399:21.0 427:25.0 437:20.0 447:22.0 472:15.0 476:19.0 65065 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-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 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 mannose 643848 205 390222 85:1023.0 86:1367.0 87:1412.0 88:910.0 89:9966.0 90:944.0 91:1078.0 92:80.0 97:270.0 98:228.0 99:839.0 100:2042.0 101:3813.0 102:1799.0 103:22002.0 104:1959.0 105:5629.0 106:414.0 107:186.0 108:168.0 109:122.0 110:144.0 111:410.0 112:227.0 113:903.0 114:2051.0 115:1515.0 116:1545.0 117:17141.0 118:1619.0 119:1737.0 120:239.0 121:354.0 122:100.0 123:59.0 124:68.0 125:140.0 126:275.0 127:393.0 128:732.0 129:15990.0 130:3113.0 131:5167.0 132:1020.0 133:11424.0 134:1564.0 135:1257.0 136:174.0 137:153.0 138:97.0 139:121.0 140:136.0 141:342.0 142:743.0 143:2517.0 144:474.0 145:1194.0 147:50406.0 148:7824.0 149:4951.0 150:752.0 151:750.0 152:172.0 153:138.0 154:156.0 155:146.0 156:123.0 157:9424.0 158:2126.0 159:971.0 160:23519.0 161:3769.0 162:1076.0 163:1389.0 164:1474.0 165:2567.0 166:413.0 168:241.0 169:510.0 170:314.0 171:176.0 172:459.0 173:792.0 175:822.0 176:80.0 177:640.0 178:268.0 179:99.0 180:150.0 181:89.0 182:113.0 183:137.0 184:75.0 185:139.0 186:529.0 187:179.0 188:179.0 189:3342.0 190:1302.0 191:2699.0 192:537.0 193:320.0 194:92.0 195:119.0 196:79.0 197:51.0 198:115.0 199:100.0 200:227.0 201:639.0 202:344.0 203:805.0 204:9883.0 205:26407.0 206:5863.0 207:2457.0 208:519.0 209:159.0 210:426.0 211:100.0 212:60.0 214:130.0 215:469.0 216:1349.0 217:14247.0 218:3306.0 219:1372.0 220:283.0 221:671.0 222:189.0 223:152.0 224:59.0 226:49.0 227:72.0 228:179.0 229:3232.0 230:927.0 231:1694.0 232:686.0 233:678.0 234:730.0 235:299.0 236:91.0 237:88.0 238:72.0 239:67.0 240:122.0 241:108.0 242:129.0 243:428.0 244:393.0 245:301.0 246:357.0 247:270.0 248:99.0 249:116.0 250:50.0 251:27.0 252:58.0 253:110.0 254:115.0 255:43.0 256:206.0 257:81.0 258:99.0 259:78.0 260:118.0 261:109.0 262:436.0 263:124.0 264:78.0 265:162.0 267:307.0 268:189.0 269:417.0 270:106.0 271:119.0 272:66.0 274:629.0 275:228.0 276:74.0 277:633.0 278:556.0 279:214.0 280:48.0 281:138.0 282:523.0 283:77.0 284:50.0 285:26.0 287:23.0 288:33.0 289:36.0 290:72.0 291:1275.0 292:405.0 293:148.0 294:41.0 300:234.0 301:80.0 302:58.0 303:50.0 304:73.0 305:865.0 306:346.0 307:705.0 308:184.0 309:24.0 310:18.0 311:36.0 312:30.0 314:64.0 316:63.0 317:116.0 318:197.0 319:17248.0 320:5185.0 321:2635.0 322:526.0 323:119.0 324:32.0 325:79.0 326:28.0 328:58.0 330:83.0 331:91.0 332:129.0 333:98.0 334:49.0 335:36.0 336:33.0 337:44.0 339:28.0 342:58.0 343:134.0 344:68.0 345:90.0 346:46.0 347:33.0 348:34.0 349:26.0 350:20.0 359:63.0 361:71.0 362:25.0 363:45.0 364:392.0 365:212.0 366:93.0 367:58.0 368:39.0 372:23.0 373:36.0 374:89.0 375:33.0 376:154.0 377:63.0 378:49.0 379:44.0 380:96.0 381:52.0 382:57.0 386:25.0 388:27.0 390:34.0 391:59.0 392:41.0 393:48.0 394:28.0 395:58.0 396:39.0 397:18.0 398:19.0 400:33.0 401:57.0 405:33.0 408:45.0 410:46.0 411:26.0 412:37.0 413:33.0 415:51.0 416:32.0 417:29.0 418:22.0 419:28.0 420:21.0 421:39.0 422:21.0 424:39.0 425:24.0 426:15.0 428:19.0 430:64.0 432:42.0 433:43.0 434:25.0 435:28.0 436:30.0 437:29.0 438:35.0 439:24.0 440:16.0 441:21.0 444:25.0 445:47.0 446:33.0 448:42.0 450:20.0 452:18.0 454:17.0 456:31.0 457:17.0 460:18.0 464:61.0 465:45.0 466:42.0 467:37.0 468:27.0 471:18.0 475:37.0 477:39.0 478:21.0 479:18.0 480:17.0 481:22.0 482:28.0 483:29.0 484:28.0 485:15.0 486:29.0 487:21.0 490:45.0 492:26.0 493:33.0 495:26.0 497:18.0 498:15.0 500:40.0 18950 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N maltotriose 1176972 361 22127 86:12.0 89:143.0 94:19.0 101:227.0 102:15.0 103:521.0 110:35.0 111:7.0 112:3.0 116:24.0 117:105.0 118:58.0 121:25.0 122:29.0 123:44.0 129:565.0 133:89.0 135:62.0 140:15.0 141:38.0 143:85.0 145:13.0 147:736.0 148:48.0 149:56.0 151:22.0 155:50.0 157:42.0 160:63.0 163:57.0 164:3.0 165:13.0 167:38.0 168:3.0 169:297.0 171:22.0 173:21.0 174:1.0 175:50.0 177:57.0 178:53.0 181:33.0 183:10.0 187:19.0 189:190.0 190:29.0 191:269.0 192:89.0 193:107.0 195:13.0 198:30.0 200:6.0 202:5.0 204:2900.0 205:776.0 206:283.0 207:269.0 209:15.0 210:46.0 217:794.0 218:153.0 219:55.0 221:63.0 222:51.0 223:24.0 224:1.0 230:10.0 231:45.0 233:3.0 234:6.0 237:33.0 239:31.0 243:132.0 244:6.0 248:7.0 249:26.0 250:23.0 251:36.0 252:3.0 254:29.0 261:11.0 265:26.0 266:19.0 268:7.0 271:132.0 272:9.0 273:7.0 274:3.0 277:7.0 278:13.0 279:7.0 281:94.0 282:62.0 283:33.0 291:3.0 293:11.0 295:53.0 296:11.0 297:7.0 298:7.0 302:5.0 303:9.0 305:56.0 306:26.0 307:33.0 308:15.0 309:5.0 315:1.0 317:5.0 319:24.0 321:14.0 322:33.0 323:10.0 324:19.0 326:33.0 327:6.0 328:62.0 332:10.0 339:3.0 340:14.0 341:62.0 342:24.0 343:31.0 345:5.0 346:42.0 349:14.0 350:5.0 355:29.0 360:9.0 361:415.0 362:130.0 363:63.0 364:15.0 365:9.0 369:10.0 371:15.0 372:5.0 375:13.0 378:34.0 380:19.0 381:114.0 382:41.0 383:15.0 387:19.0 390:7.0 394:12.0 396:3.0 398:15.0 400:39.0 406:1.0 408:15.0 412:12.0 413:20.0 416:26.0 418:17.0 419:12.0 422:7.0 424:31.0 425:11.0 427:3.0 429:22.0 431:5.0 433:3.0 434:6.0 436:10.0 437:9.0 440:3.0 444:5.0 448:24.0 451:35.0 452:1.0 453:7.0 459:7.0 462:31.0 465:7.0 466:3.0 468:20.0 470:6.0 471:39.0 476:7.0 477:7.0 480:6.0 481:17.0 485:7.0 491:9.0 493:15.0 499:28.0 500:15.0 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 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 lysine 662197 317 360160 85:4786.0 86:50806.0 87:6485.0 88:21649.0 89:2723.0 90:1721.0 94:1142.0 95:795.0 96:535.0 97:1150.0 98:3651.0 99:2928.0 100:47572.0 101:7430.0 102:13074.0 103:4519.0 104:946.0 106:143.0 107:120.0 108:162.0 109:304.0 110:594.0 111:231.0 112:11763.0 113:2727.0 114:12616.0 115:16345.0 116:6882.0 117:4303.0 118:1926.0 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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 isoleucine 293942 86 106481 85:250.0 86:30671.0 87:2691.0 88:241.0 89:148.0 90:15.0 91:198.0 92:50.0 93:29.0 96:353.0 97:121.0 98:95.0 99:290.0 100:353.0 101:89.0 102:397.0 103:11687.0 104:796.0 105:407.0 114:54.0 115:46.0 116:112.0 117:143.0 118:89.0 120:31.0 126:283.0 127:188.0 128:91.0 129:69.0 130:1671.0 131:464.0 132:47.0 134:91.0 141:33.0 142:406.0 143:143.0 144:695.0 145:79.0 146:1530.0 147:121.0 148:84.0 152:13.0 153:14.0 156:29.0 157:12.0 158:41.0 161:15.0 167:11.0 169:146.0 170:675.0 171:169.0 172:2129.0 173:235.0 174:59.0 185:15.0 187:143.0 188:452.0 206:13.0 234:22.0 239:19.0 253:13.0 257:19.0 261:20.0 263:25.0 265:12.0 270:17.0 282:13.0 309:42.0 317:20.0 321:17.0 327:26.0 331:19.0 340:15.0 344:20.0 348:16.0 376:14.0 389:22.0 395:15.0 406:15.0 426:26.0 458:13.0 463:13.0 469:13.0 491:18.0 499:17.0 500:16.0 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N inositol-4-monophosphate 845976 315 4759 100:40.0 104:35.0 107:57.0 113:34.0 117:5.0 128:7.0 129:318.0 133:192.0 137:66.0 142:185.0 143:288.0 144:3.0 147:3716.0 148:705.0 150:3.0 151:84.0 153:82.0 155:66.0 156:40.0 158:31.0 159:5.0 163:11.0 164:91.0 166:55.0 167:35.0 168:65.0 169:49.0 173:33.0 177:50.0 178:26.0 180:12.0 181:79.0 182:9.0 183:29.0 189:11.0 190:133.0 191:543.0 192:52.0 194:70.0 195:10.0 196:25.0 201:25.0 207:133.0 209:68.0 211:490.0 212:79.0 213:19.0 214:48.0 215:71.0 216:35.0 217:1170.0 218:327.0 221:126.0 222:38.0 224:15.0 225:180.0 226:7.0 227:127.0 228:39.0 229:66.0 230:193.0 231:29.0 236:58.0 237:49.0 239:45.0 240:38.0 241:5.0 243:323.0 244:15.0 245:84.0 246:139.0 253:20.0 254:6.0 255:162.0 256:81.0 258:39.0 261:24.0 264:18.0 265:118.0 266:36.0 268:3.0 269:26.0 270:53.0 272:9.0 273:1.0 274:6.0 277:7.0 278:7.0 281:72.0 282:31.0 283:37.0 285:79.0 286:47.0 287:27.0 288:15.0 289:13.0 291:49.0 292:24.0 293:18.0 294:13.0 295:23.0 297:52.0 298:63.0 299:2637.0 300:834.0 301:353.0 302:86.0 303:23.0 304:53.0 305:215.0 306:40.0 307:48.0 308:38.0 309:6.0 313:82.0 314:62.0 315:2011.0 316:590.0 317:361.0 318:2102.0 319:684.0 320:271.0 321:104.0 322:25.0 324:14.0 325:15.0 329:11.0 330:26.0 331:31.0 332:15.0 333:13.0 334:23.0 340:5.0 341:30.0 342:50.0 343:182.0 344:98.0 345:138.0 346:41.0 347:34.0 348:24.0 349:19.0 352:23.0 354:6.0 355:70.0 356:46.0 357:79.0 358:31.0 359:31.0 360:38.0 367:12.0 368:6.0 369:54.0 370:10.0 371:3.0 372:18.0 373:114.0 374:72.0 375:71.0 383:10.0 385:24.0 386:86.0 387:796.0 388:329.0 389:501.0 390:208.0 391:142.0 392:43.0 393:5.0 394:12.0 398:15.0 401:15.0 406:6.0 407:10.0 409:6.0 416:42.0 417:33.0 418:59.0 419:49.0 420:27.0 424:24.0 426:3.0 429:69.0 430:44.0 431:34.0 432:116.0 433:163.0 434:65.0 435:66.0 436:17.0 440:22.0 441:25.0 442:9.0 443:30.0 445:9.0 446:34.0 448:35.0 450:37.0 451:27.0 453:12.0 454:21.0 455:31.0 456:23.0 457:22.0 459:13.0 460:20.0 462:23.0 465:6.0 466:7.0 467:13.0 468:14.0 470:109.0 471:68.0 472:53.0 475:15.0 476:7.0 480:24.0 483:3.0 486:6.0 489:10.0 492:13.0 493:7.0 494:14.0 500:7.0 440043 C03546 INAPMGSXUVUWAF-GFWFORPUSA-N inosine 897184 230 1728 85:163.0 86:64.0 97:4.0 99:41.0 101:305.0 103:1289.0 106:14.0 111:59.0 113:48.0 115:238.0 116:92.0 117:269.0 129:3413.0 130:316.0 131:520.0 134:189.0 142:6.0 143:110.0 144:7.0 145:89.0 147:473.0 153:24.0 157:39.0 163:23.0 166:12.0 169:201.0 171:4.0 174:37.0 189:2.0 193:773.0 194:49.0 195:1.0 201:420.0 202:29.0 203:3.0 204:4.0 207:213.0 209:266.0 215:14.0 216:5.0 217:1674.0 218:322.0 219:156.0 230:1148.0 231:201.0 232:66.0 237:443.0 238:38.0 243:386.0 244:46.0 245:926.0 246:111.0 247:45.0 249:5.0 257:44.0 258:89.0 259:388.0 260:88.0 265:82.0 267:41.0 280:118.0 281:542.0 282:67.0 283:36.0 299:68.0 307:66.0 309:6.0 319:11.0 323:53.0 338:6.0 348:10.0 353:7.0 386:20.0 395:3.0 409:5.0 434:14.0 448:17.0 451:12.0 462:9.0 485:10.0 498:5.0 6021 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N ile-ile 677904 158 187486 85:711.0 86:4373.0 87:1050.0 88:460.0 89:638.0 90:171.0 94:115.0 98:589.0 99:765.0 100:4350.0 101:1772.0 102:8162.0 103:2929.0 104:326.0 108:231.0 111:150.0 112:325.0 113:46.0 114:590.0 115:2024.0 116:3685.0 117:1164.0 118:483.0 119:273.0 120:49.0 121:81.0 122:74.0 123:54.0 126:213.0 128:1005.0 129:1401.0 130:1230.0 131:971.0 132:870.0 133:2310.0 134:453.0 135:342.0 136:87.0 137:163.0 138:42.0 139:38.0 140:273.0 141:304.0 142:1300.0 143:141.0 144:615.0 147:4943.0 148:682.0 149:419.0 150:134.0 152:42.0 153:159.0 155:225.0 157:490.0 158:59170.0 159:8632.0 160:4636.0 161:517.0 162:156.0 163:57.0 164:33.0 165:271.0 166:96.0 167:65.0 169:193.0 170:379.0 171:206.0 172:567.0 173:240.0 175:150.0 177:150.0 178:35.0 179:63.0 180:66.0 183:73.0 185:98.0 187:26.0 188:264.0 189:72.0 196:42.0 197:106.0 200:52.0 202:92.0 204:55.0 205:79.0 210:42.0 213:33.0 214:38.0 216:169.0 217:861.0 218:565.0 221:60.0 222:39.0 225:40.0 227:205.0 228:38.0 229:33.0 233:49.0 234:62.0 238:30.0 239:226.0 240:94.0 244:31.0 245:65.0 246:109.0 251:55.0 255:23.0 256:56.0 258:56.0 259:62.0 260:25.0 263:29.0 264:28.0 265:80.0 266:23.0 271:46.0 274:42.0 275:33.0 276:66.0 278:52.0 279:45.0 282:35.0 283:38.0 289:40.0 290:22.0 296:45.0 306:56.0 309:43.0 310:72.0 320:37.0 323:10.0 325:50.0 328:35.0 329:196.0 330:163.0 332:54.0 333:37.0 334:53.0 335:79.0 336:65.0 338:53.0 339:36.0 343:48.0 348:69.0 349:61.0 350:56.0 356:26.0 359:58.0 360:16.0 361:49.0 364:40.0 367:27.0 374:54.0 375:25.0 377:62.0 378:81.0 381:29.0 384:10.0 389:34.0 390:78.0 392:45.0 395:34.0 396:49.0 397:37.0 400:51.0 402:39.0 407:41.0 411:49.0 412:48.0 414:35.0 419:14.0 420:139.0 421:67.0 422:69.0 424:20.0 426:48.0 427:33.0 428:43.0 431:50.0 433:39.0 440:20.0 441:32.0 442:56.0 444:46.0 446:43.0 449:36.0 451:55.0 454:52.0 456:35.0 458:60.0 461:35.0 463:37.0 465:47.0 470:46.0 473:36.0 476:20.0 479:38.0 484:21.0 485:50.0 489:44.0 492:55.0 493:40.0 494:47.0 496:70.0 498:55.0 499:46.0 7010568 C12H24N2O3 BCVIOZZGJNOEQS-XKNYDFJKSA-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 homocystine 874865 128 2786 85:58.0 87:20.0 88:504.0 89:93.0 91:89.0 94:14.0 100:924.0 101:447.0 102:115.0 103:1568.0 104:115.0 107:34.0 108:14.0 110:41.0 112:98.0 113:23.0 114:484.0 115:132.0 116:34.0 117:946.0 118:171.0 119:35.0 126:15.0 128:10523.0 129:2584.0 130:634.0 131:361.0 132:23.0 133:451.0 134:29.0 142:4.0 143:6.0 144:24.0 145:41.0 146:130.0 147:2201.0 148:453.0 149:191.0 153:17.0 158:137.0 159:48.0 160:3354.0 161:606.0 162:281.0 163:11.0 165:56.0 170:3.0 172:66.0 173:34.0 174:236.0 176:37.0 180:19.0 183:43.0 184:13.0 186:56.0 187:51.0 188:431.0 189:334.0 190:94.0 192:4.0 194:9.0 200:11.0 202:442.0 203:177.0 204:346.0 205:357.0 206:150.0 214:2.0 215:18.0 216:54.0 217:224.0 218:361.0 219:1600.0 220:326.0 221:195.0 222:25.0 223:12.0 229:26.0 230:348.0 231:118.0 232:318.0 233:16.0 234:44.0 236:14.0 243:156.0 244:227.0 245:268.0 246:314.0 247:42.0 248:24.0 249:30.0 250:3.0 251:3.0 252:15.0 254:21.0 261:28.0 262:85.0 263:29.0 272:1.0 274:19.0 276:38.0 277:463.0 278:835.0 279:221.0 280:73.0 281:62.0 290:29.0 295:4.0 300:21.0 301:25.0 304:13.0 308:23.0 309:13.0 312:17.0 314:18.0 315:20.0 316:24.0 317:35.0 324:1.0 330:23.0 333:40.0 336:6.0 337:12.0 339:7.0 340:4.0 342:2.0 347:4.0 352:6.0 356:13.0 357:14.0 359:2.0 375:9.0 376:15.0 385:11.0 387:10.0 394:4.0 403:14.0 406:14.0 407:2.0 410:3.0 414:4.0 417:3.0 424:1.0 427:13.0 432:1.0 434:7.0 436:13.0 439:5.0 445:36.0 447:6.0 457:6.0 463:15.0 467:7.0 477:15.0 478:5.0 479:11.0 485:24.0 487:5.0 492:21.0 493:5.0 495:5.0 10010 C01817 ZTVZLYBCZNMWCF-UHFFFAOYSA-N histidine 663790 154 150 85:2111.0 91:78.0 92:216.0 93:168.0 96:546.0 97:628.0 98:534.0 99:1060.0 100:5400.0 104:467.0 105:300.0 106:130.0 110:273.0 112:1060.0 113:608.0 116:436.0 117:2105.0 118:701.0 119:507.0 120:167.0 122:47.0 125:129.0 126:813.0 127:915.0 128:1600.0 129:1815.0 130:896.0 131:728.0 132:1925.0 133:1640.0 134:509.0 135:105.0 136:198.0 137:126.0 138:252.0 139:546.0 141:244.0 143:889.0 145:717.0 148:542.0 149:263.0 150:38.0 151:607.0 152:194.0 153:664.0 154:30947.0 155:6332.0 160:721.0 161:329.0 165:96.0 166:687.0 167:138.0 169:155.0 170:104.0 171:258.0 172:403.0 173:391.0 174:2337.0 178:125.0 180:68.0 181:111.0 182:540.0 183:136.0 184:149.0 187:157.0 188:31.0 189:362.0 190:276.0 192:81.0 194:20.0 195:50.0 196:55.0 197:30.0 199:112.0 200:914.0 201:416.0 203:251.0 206:101.0 208:68.0 216:264.0 218:1354.0 220:343.0 222:47.0 223:34.0 224:54.0 225:13.0 226:278.0 227:144.0 234:80.0 235:42.0 238:755.0 240:183.0 241:204.0 242:89.0 243:135.0 246:131.0 247:62.0 250:22.0 254:3323.0 255:999.0 256:483.0 261:49.0 262:65.0 263:70.0 264:76.0 265:21.0 266:222.0 267:68.0 269:87.0 270:34.0 272:90.0 274:280.0 275:123.0 283:30.0 284:27.0 288:42.0 290:29.0 291:53.0 292:26.0 295:33.0 296:33.0 299:251.0 302:122.0 303:67.0 312:40.0 313:55.0 321:65.0 324:18.0 326:27.0 327:20.0 328:127.0 331:53.0 335:27.0 336:17.0 338:25.0 340:35.0 344:29.0 347:41.0 349:19.0 354:14.0 355:20.0 356:236.0 357:93.0 359:23.0 371:81.0 373:25.0 378:22.0 391:132.0 392:36.0 393:51.0 395:43.0 396:24.0 397:24.0 405:10.0 408:27.0 412:24.0 418:33.0 423:28.0 424:20.0 425:23.0 426:18.0 429:38.0 430:27.0 431:42.0 434:87.0 435:76.0 436:72.0 438:35.0 440:19.0 442:36.0 443:23.0 447:41.0 448:14.0 451:12.0 453:43.0 456:23.0 459:33.0 461:27.0 464:22.0 465:25.0 466:34.0 467:15.0 468:40.0 470:20.0 475:21.0 476:18.0 477:27.0 478:20.0 479:14.0 480:33.0 481:24.0 482:34.0 483:14.0 485:14.0 488:20.0 491:19.0 493:36.0 494:20.0 498:19.0 6274 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N heptadecanoic acid 751309 117 727 86:84.0 89:126.0 93:146.0 95:297.0 97:364.0 98:171.0 99:152.0 101:71.0 105:120.0 107:47.0 109:65.0 111:142.0 112:68.0 113:69.0 116:319.0 117:6884.0 118:515.0 119:190.0 123:26.0 125:38.0 129:2928.0 130:357.0 131:779.0 132:2003.0 133:510.0 134:126.0 141:18.0 143:248.0 145:1080.0 146:130.0 149:39.0 152:19.0 153:14.0 159:91.0 163:18.0 171:63.0 174:86.0 177:28.0 182:19.0 187:82.0 189:15.0 197:18.0 201:212.0 202:62.0 213:28.0 215:30.0 227:23.0 241:13.0 242:13.0 243:71.0 257:25.0 283:45.0 284:36.0 285:41.0 288:28.0 297:17.0 300:19.0 301:23.0 302:33.0 308:19.0 314:23.0 315:28.0 316:27.0 317:23.0 320:12.0 326:58.0 327:578.0 328:196.0 329:37.0 330:26.0 332:12.0 333:13.0 334:18.0 338:25.0 342:81.0 345:34.0 349:14.0 350:20.0 353:12.0 354:22.0 357:18.0 362:14.0 368:31.0 386:16.0 391:13.0 407:14.0 441:17.0 450:14.0 452:17.0 453:22.0 454:29.0 457:18.0 460:24.0 465:21.0 469:16.0 471:13.0 473:24.0 474:19.0 477:22.0 478:24.0 479:26.0 483:21.0 486:27.0 488:15.0 490:22.0 494:18.0 495:24.0 497:23.0 499:17.0 500:16.0 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N guanosine 954962 324 1966 85:1543.0 86:695.0 87:960.0 88:305.0 89:2775.0 90:249.0 91:343.0 93:203.0 94:284.0 95:499.0 96:239.0 97:2078.0 98:737.0 99:4070.0 100:2326.0 101:4073.0 102:1037.0 103:34450.0 104:3406.0 105:1568.0 106:62.0 107:214.0 109:142.0 110:455.0 111:1465.0 112:454.0 113:1897.0 114:483.0 115:8354.0 116:2447.0 117:6988.0 118:924.0 119:1155.0 120:232.0 121:117.0 122:147.0 123:259.0 124:207.0 125:458.0 126:538.0 127:917.0 128:347.0 129:8734.0 130:1540.0 131:5420.0 132:1425.0 133:6822.0 134:1511.0 135:1021.0 136:292.0 137:132.0 138:600.0 139:302.0 140:531.0 141:1713.0 142:1027.0 143:3986.0 144:981.0 145:1559.0 146:2839.0 147:27792.0 148:4607.0 149:3282.0 150:543.0 151:415.0 152:307.0 153:1353.0 154:308.0 155:706.0 156:2088.0 157:3224.0 158:2370.0 159:678.0 160:408.0 161:224.0 162:222.0 163:409.0 164:248.0 165:886.0 166:3125.0 167:575.0 168:444.0 169:7379.0 170:1166.0 171:3233.0 172:586.0 173:871.0 174:546.0 175:362.0 176:163.0 177:359.0 178:193.0 179:571.0 180:716.0 181:329.0 182:440.0 183:244.0 184:236.0 185:98.0 186:101.0 187:305.0 188:221.0 189:1982.0 190:1372.0 191:1608.0 192:622.0 193:690.0 194:431.0 195:354.0 196:284.0 197:211.0 198:374.0 199:110.0 201:253.0 202:87.0 203:387.0 204:1826.0 205:986.0 206:945.0 207:1068.0 208:1030.0 209:430.0 210:407.0 211:136.0 212:78.0 213:59.0 214:21.0 215:525.0 216:169.0 217:10591.0 218:2542.0 219:1259.0 220:489.0 221:723.0 222:590.0 223:337.0 224:301.0 225:64.0 226:49.0 227:37.0 229:697.0 230:11215.0 231:3428.0 232:1503.0 233:315.0 234:380.0 235:110.0 236:239.0 237:303.0 238:841.0 239:312.0 240:159.0 241:64.0 242:24.0 243:8321.0 244:2037.0 245:25735.0 246:5652.0 247:2341.0 248:587.0 249:142.0 250:260.0 251:664.0 252:232.0 253:273.0 254:70.0 255:8.0 257:418.0 258:440.0 259:3621.0 260:888.0 261:351.0 262:262.0 263:172.0 264:3343.0 265:841.0 266:504.0 267:197.0 268:55.0 271:152.0 272:26.0 273:28.0 274:59.0 275:26.0 276:134.0 277:167.0 278:965.0 279:784.0 280:16955.0 281:4530.0 282:1983.0 283:512.0 284:24.0 285:11.0 286:24.0 287:5.0 288:79.0 290:77.0 291:115.0 292:272.0 293:296.0 294:2118.0 295:4048.0 296:5363.0 297:1547.0 298:410.0 299:331.0 300:40.0 301:59.0 302:58.0 304:91.0 305:103.0 306:271.0 307:61.0 308:924.0 309:397.0 310:93.0 311:34.0 313:66.0 314:43.0 316:60.0 317:37.0 318:106.0 319:241.0 320:467.0 321:212.0 322:254.0 323:388.0 324:26146.0 325:7164.0 326:2744.0 327:594.0 328:158.0 329:17.0 330:26.0 331:85.0 332:68.0 333:126.0 334:50.0 335:46.0 336:207.0 337:85.0 338:114.0 339:26.0 340:20.0 341:119.0 342:70.0 344:24.0 345:32.0 346:14.0 347:28.0 348:694.0 349:228.0 350:187.0 351:97.0 352:1658.0 353:655.0 354:394.0 355:227.0 356:19.0 357:23.0 358:32.0 359:13.0 360:60.0 361:766.0 362:290.0 363:78.0 364:55.0 365:10.0 366:370.0 367:580.0 368:5554.0 369:2081.0 370:949.0 371:149.0 372:46.0 374:17.0 375:25.0 376:16.0 378:54.0 379:7.0 380:59.0 381:9.0 382:36.0 383:90.0 384:12.0 385:11.0 391:56.0 392:63.0 393:68.0 394:1375.0 395:505.0 396:369.0 397:77.0 401:83.0 404:26.0 406:34.0 407:8.0 408:140.0 409:289.0 410:2972.0 411:1154.0 412:488.0 413:73.0 414:8.0 415:113.0 422:502.0 423:234.0 424:151.0 425:540.0 426:224.0 427:53.0 429:17.0 431:28.0 434:38.0 435:16.0 436:22.0 437:15.0 438:19.0 440:5.0 446:31.0 448:84.0 450:33.0 451:15.0 455:10.0 463:43.0 464:86.0 465:64.0 468:21.0 469:2.0 475:55.0 476:12.0 480:21.0 482:144.0 483:82.0 484:38.0 485:6.0 488:23.0 490:28.0 495:9.0 496:10.0 497:6.0 6802 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N guanine 744307 352 2519 85:485.0 86:288.0 87:42.0 89:317.0 95:86.0 98:175.0 99:1474.0 100:782.0 101:980.0 102:75.0 103:1581.0 104:106.0 105:14.0 110:49.0 111:272.0 112:15.0 113:289.0 114:183.0 115:231.0 116:930.0 117:753.0 118:116.0 119:40.0 122:16.0 124:27.0 125:94.0 126:14.0 127:102.0 128:117.0 129:1922.0 130:538.0 131:1046.0 132:378.0 133:1248.0 135:247.0 137:42.0 138:19.0 139:86.0 140:23.0 141:220.0 142:118.0 143:248.0 144:113.0 147:4446.0 148:756.0 149:176.0 150:97.0 151:97.0 152:90.0 153:92.0 154:46.0 155:352.0 157:444.0 158:525.0 159:73.0 160:58.0 163:35.0 165:70.0 166:233.0 167:87.0 168:135.0 169:322.0 170:81.0 171:822.0 172:106.0 173:198.0 175:11.0 177:30.0 178:8.0 180:330.0 181:146.0 182:37.0 183:59.0 186:24.0 187:16.0 188:10.0 189:171.0 190:207.0 191:269.0 192:54.0 193:89.0 194:20.0 195:13.0 196:7.0 197:139.0 198:137.0 201:15.0 202:23.0 203:165.0 204:369.0 205:188.0 206:107.0 208:55.0 209:51.0 211:438.0 212:62.0 213:6.0 214:24.0 217:1578.0 218:415.0 219:230.0 221:68.0 223:36.0 225:108.0 226:21.0 227:58.0 229:9.0 230:74.0 233:2.0 237:118.0 238:518.0 239:83.0 240:86.0 243:96.0 244:45.0 245:29.0 246:75.0 247:59.0 248:6.0 251:34.0 253:46.0 261:1.0 262:224.0 263:42.0 264:699.0 265:158.0 266:18.0 267:52.0 269:69.0 277:24.0 278:199.0 279:133.0 280:357.0 281:124.0 282:58.0 283:52.0 284:164.0 285:29.0 293:127.0 294:147.0 295:61.0 299:1311.0 300:316.0 301:137.0 305:39.0 307:10.0 309:40.0 314:153.0 315:528.0 316:182.0 317:116.0 320:26.0 322:33.0 323:28.0 326:4.0 336:140.0 338:6.0 339:13.0 347:19.0 350:70.0 351:141.0 352:5273.0 353:1927.0 354:731.0 355:133.0 356:73.0 357:402.0 358:114.0 359:13.0 360:9.0 364:14.0 366:85.0 367:1133.0 368:481.0 369:181.0 370:150.0 371:31.0 387:420.0 388:153.0 389:92.0 390:24.0 404:6.0 419:2.0 423:10.0 448:9.0 450:43.0 468:1.0 470:5.0 472:8.0 473:14.0 482:14.0 493:2.0 764 C00242 UYTPUPDQBNUYGX-UHFFFAOYSA-N glycyl-proline 691662 174 66282 86:110410.0 87:18469.0 88:5410.0 89:305.0 90:1180.0 92:179.0 94:904.0 96:3134.0 97:1552.0 98:8378.0 99:3530.0 100:58649.0 101:13921.0 102:20729.0 103:27199.0 104:2954.0 105:2138.0 106:253.0 108:417.0 109:4375.0 110:4363.0 111:2428.0 112:4354.0 113:786.0 114:12608.0 115:9291.0 117:36584.0 118:4942.0 119:5447.0 120:1680.0 121:108.0 123:274.0 124:1428.0 125:1183.0 126:3900.0 127:636.0 128:7596.0 129:9777.0 130:22767.0 131:11740.0 132:7110.0 133:16122.0 134:2728.0 135:2110.0 136:722.0 137:1195.0 138:1535.0 139:627.0 140:2292.0 142:11330.0 144:18223.0 145:7907.0 146:5458.0 147:21775.0 148:5208.0 149:1407.0 150:1161.0 151:852.0 152:129.0 153:1290.0 154:4698.0 156:7696.0 157:8875.0 158:151011.0 159:52350.0 160:19992.0 161:5426.0 162:1269.0 163:431.0 164:145.0 165:1017.0 166:792.0 167:971.0 168:2224.0 169:31.0 170:5887.0 171:2984.0 172:11473.0 173:2768.0 174:323459.0 175:80131.0 176:30849.0 177:7355.0 178:873.0 180:607.0 181:3060.0 182:2041.0 183:13068.0 184:9812.0 185:4226.0 186:3047.0 187:4036.0 188:5417.0 189:379.0 190:580.0 192:328.0 193:1103.0 194:1534.0 195:1337.0 196:875.0 197:1324.0 198:1181.0 199:682.0 200:4564.0 201:4987.0 202:5561.0 203:2946.0 208:123.0 209:3712.0 210:835.0 211:1146.0 212:618.0 213:546.0 214:998.0 215:884.0 216:1188.0 222:723.0 223:256.0 224:574.0 225:1188.0 226:9281.0 227:6527.0 228:2698.0 229:1154.0 230:254.0 235:48.0 236:270.0 237:731.0 238:480.0 239:1722.0 240:1019.0 241:954.0 242:520.0 246:297.0 247:3727.0 251:253.0 252:614.0 253:3352.0 254:1584.0 255:6412.0 256:3923.0 257:2770.0 258:2264.0 259:627.0 260:935.0 261:257.0 262:1364.0 264:424.0 265:627.0 266:821.0 267:1447.0 268:1472.0 269:2038.0 270:1259.0 271:783.0 272:3247.0 273:848.0 274:1055.0 275:360.0 276:910.0 277:478.0 280:614.0 281:11030.0 282:7419.0 283:5147.0 284:2212.0 285:4254.0 286:2691.0 287:1306.0 288:678.0 289:535.0 290:396.0 292:6282.0 293:1549.0 294:1994.0 295:532.0 296:2312.0 297:13447.0 298:7162.0 299:2692.0 300:929.0 301:1343.0 302:580.0 303:555.0 304:363.0 308:3909.0 309:2461.0 310:2592.0 311:3198.0 312:1681.0 313:297.0 314:289.0 315:324.0 316:586.0 317:124.0 323:471.0 324:920.0 325:778.0 326:699.0 327:56.0 328:63.0 330:264.0 331:587.0 333:90.0 334:53.0 335:162.0 338:221.0 341:153.0 342:262.0 343:604.0 344:348.0 347:60.0 348:410.0 349:232.0 350:109.0 356:146.0 357:944.0 358:350.0 366:326.0 371:347.0 372:2054.0 373:50905.0 374:22392.0 375:10682.0 376:2921.0 377:706.0 378:144.0 379:50.0 380:20.0 381:286.0 382:1184.0 383:737.0 384:337.0 385:46.0 388:24.0 391:1252.0 392:1112.0 393:549.0 394:101.0 395:168.0 396:22.0 397:46.0 398:968.0 399:1031.0 400:3045.0 401:2105.0 402:1044.0 403:275.0 404:434.0 405:503.0 406:231.0 407:56.0 408:6.0 412:154.0 413:2480.0 414:2209.0 415:577.0 416:167.0 417:133.0 418:62.0 421:926.0 422:295.0 423:139.0 427:3.0 433:771.0 434:482.0 435:182.0 436:67.0 437:27.0 447:8.0 448:31.0 460:1.0 470:11.0 472:7.0 474:9.0 483:7.0 485:15.0 488:8.0 499:2.0 3013625 KZNQNBZMBZJQJO-YFKPBYRVSA-N glycyl-glycine 623532 174 110355 85:242.0 86:1986.0 87:252.0 88:134.0 89:32.0 90:30.0 97:49.0 98:80.0 99:37.0 101:121.0 102:448.0 103:257.0 104:43.0 105:64.0 113:95.0 114:133.0 115:153.0 117:803.0 118:80.0 119:98.0 124:38.0 130:221.0 131:154.0 132:108.0 133:277.0 138:18.0 139:37.0 144:164.0 145:41.0 146:83.0 147:1050.0 148:89.0 149:136.0 157:152.0 159:15.0 160:98.0 161:28.0 174:4257.0 175:535.0 176:452.0 177:101.0 187:36.0 188:25.0 193:18.0 215:74.0 232:30.0 233:29.0 243:19.0 260:21.0 266:20.0 292:12.0 296:33.0 297:16.0 298:22.0 311:9.0 313:13.0 333:130.0 334:35.0 335:33.0 420:14.0 11163 C02037 YMAWOPBAYDPSLA-UHFFFAOYSA-N glycyl tyrosine 922071 174 62472 86:1091.0 95:27.0 100:203.0 114:27.0 118:36.0 130:89.0 146:117.0 158:36.0 160:9.0 161:13.0 164:41.0 172:46.0 173:8.0 174:4074.0 175:790.0 176:566.0 177:154.0 178:80.0 179:390.0 180:59.0 187:56.0 201:14.0 213:11.0 214:2.0 215:4.0 220:8.0 229:36.0 232:2.0 233:8.0 234:5.0 250:22.0 256:4.0 262:13.0 274:1.0 275:6.0 284:3.0 291:12.0 293:47.0 294:16.0 307:5.0 308:299.0 309:83.0 310:55.0 311:34.0 312:4.0 320:1.0 327:11.0 333:17.0 343:17.0 344:5.0 346:5.0 347:6.0 351:7.0 354:14.0 359:13.0 366:9.0 367:8.0 379:2.0 381:4.0 387:13.0 393:14.0 398:9.0 399:21.0 403:10.0 410:29.0 411:18.0 412:3.0 413:15.0 414:15.0 417:5.0 418:50.0 419:16.0 422:6.0 426:5.0 427:2.0 428:20.0 432:2.0 433:26.0 434:20.0 436:35.0 437:20.0 442:1.0 446:13.0 449:2.0 450:7.0 451:10.0 452:14.0 453:2.0 460:13.0 462:16.0 463:7.0 464:11.0 465:15.0 470:12.0 473:9.0 475:1.0 476:8.0 479:13.0 480:19.0 481:5.0 482:8.0 485:10.0 488:7.0 489:2.0 490:3.0 492:16.0 493:11.0 496:1.0 500:6.0 92829 XBGGUPMXALFZOT-VIFPVBQESA-N glycolic acid 227636 177 1971 86:321.0 87:877.0 88:2215.0 89:1177.0 90:166.0 92:46.0 95:690.0 98:47.0 99:43.0 100:1.0 101:491.0 102:395.0 103:3236.0 104:445.0 105:759.0 106:5.0 107:431.0 110:197.0 113:123.0 114:1.0 115:778.0 116:235.0 117:2708.0 118:351.0 119:694.0 120:123.0 121:18.0 124:3.0 131:2476.0 132:305.0 133:6921.0 134:1259.0 135:297.0 144:1.0 146:382.0 147:57199.0 148:9255.0 149:5731.0 150:464.0 151:221.0 161:3331.0 162:563.0 163:245.0 164:13.0 174:12.0 175:25.0 176:44.0 177:9136.0 178:1499.0 179:744.0 180:12.0 184:100.0 186:21.0 189:5.0 190:199.0 205:5249.0 206:917.0 207:412.0 223:9.0 228:19.0 251:6.0 274:3.0 276:1.0 283:39.0 294:4.0 301:1.0 315:15.0 316:4.0 323:2.0 327:18.0 341:6.0 363:8.0 368:9.0 374:4.0 377:48.0 384:16.0 387:25.0 411:32.0 422:1.0 432:11.0 435:46.0 443:1.0 444:22.0 445:1.0 452:40.0 458:13.0 471:1.0 472:19.0 479:4.0 481:29.0 488:23.0 492:29.0 757 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N glycine 368707 248 6 85:2882.0 86:87494.0 87:10917.0 88:4018.0 89:822.0 92:65.0 93:42.0 94:27.0 95:426.0 96:50.0 97:67.0 99:1489.0 100:53029.0 101:10140.0 102:5892.0 103:928.0 105:1276.0 110:146.0 113:1787.0 114:44.0 115:2820.0 116:1864.0 117:12472.0 118:47.0 119:3422.0 122:40.0 123:85.0 125:63.0 129:156.0 130:9640.0 131:7466.0 132:862.0 133:31722.0 134:5661.0 135:2633.0 144:2949.0 145:349.0 146:1208.0 147:26782.0 148:8179.0 149:5445.0 158:2433.0 159:1298.0 160:2359.0 161:551.0 162:205.0 163:69.0 171:65.0 172:1683.0 174:152336.0 175:28023.0 176:12302.0 177:361.0 178:255.0 187:150.0 188:2043.0 190:449.0 191:115.0 200:60.0 202:783.0 203:236.0 204:837.0 205:85.0 218:58.0 246:286.0 248:21677.0 249:5746.0 250:2638.0 251:499.0 253:40.0 254:32.0 258:17.0 263:51.0 267:29.0 268:34.0 276:4493.0 277:408.0 278:257.0 288:36.0 292:28.0 299:12.0 304:15.0 305:20.0 318:38.0 322:24.0 326:35.0 334:37.0 341:26.0 344:23.0 345:20.0 346:12.0 356:14.0 381:30.0 417:22.0 433:16.0 440:27.0 454:22.0 458:43.0 459:16.0 461:27.0 750 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N glycerol-alpha-phosphate 590747 357 1687 85:750.0 87:846.0 88:468.0 89:1193.0 90:82.0 91:168.0 92:114.0 93:127.0 94:26.0 95:116.0 97:212.0 98:232.0 99:483.0 101:13348.0 102:1461.0 103:9463.0 104:991.0 105:689.0 106:35.0 107:239.0 108:36.0 109:51.0 111:385.0 113:2220.0 114:284.0 115:2195.0 116:2414.0 117:2066.0 118:407.0 119:755.0 120:59.0 121:349.0 122:90.0 123:101.0 125:30.0 127:73.0 129:6764.0 130:1365.0 131:6671.0 132:512.0 133:8224.0 134:1367.0 135:2622.0 136:210.0 137:734.0 138:89.0 139:7.0 141:48.0 143:79.0 145:207.0 147:13466.0 148:1827.0 149:1914.0 150:411.0 151:828.0 152:115.0 153:225.0 154:44.0 155:238.0 156:30.0 157:42.0 158:46.0 159:125.0 160:8.0 161:19.0 162:61.0 163:637.0 164:103.0 165:326.0 166:39.0 167:230.0 168:40.0 169:94.0 170:4.0 171:62.0 175:211.0 176:90.0 177:289.0 178:57.0 179:257.0 180:82.0 181:999.0 182:194.0 183:566.0 184:207.0 189:460.0 190:52.0 191:1442.0 192:315.0 193:1121.0 194:231.0 195:1137.0 196:145.0 197:518.0 199:126.0 201:3.0 202:123.0 203:1065.0 204:682.0 205:689.0 206:138.0 207:3057.0 208:603.0 209:466.0 210:145.0 211:6976.0 212:1053.0 213:701.0 216:20.0 217:432.0 218:1720.0 219:752.0 220:1206.0 221:317.0 222:39.0 224:46.0 225:1468.0 226:607.0 227:1441.0 228:299.0 229:116.0 230:11.0 231:42.0 236:43.0 237:70.0 239:44.0 240:27.0 241:1405.0 242:394.0 243:989.0 244:164.0 245:21.0 246:2.0 248:6.0 249:4.0 250:7.0 251:23.0 252:13.0 253:316.0 254:97.0 255:193.0 256:1782.0 257:228.0 258:143.0 260:22.0 263:17.0 269:309.0 270:47.0 271:11.0 272:490.0 273:59.0 274:22.0 275:22.0 276:4.0 279:1.0 280:12.0 283:423.0 284:131.0 285:1338.0 286:322.0 287:111.0 288:8.0 289:13.0 290:46.0 291:45.0 292:27.0 293:35.0 296:3.0 297:1.0 298:420.0 299:15339.0 300:4161.0 301:2204.0 302:411.0 303:61.0 304:32.0 306:6.0 307:52.0 308:24.0 311:16.0 312:16.0 313:189.0 314:697.0 315:3487.0 316:968.0 317:491.0 318:65.0 319:67.0 327:135.0 328:686.0 329:242.0 330:93.0 331:47.0 332:17.0 337:1.0 338:101.0 341:1109.0 342:424.0 343:246.0 344:53.0 345:24.0 346:36.0 347:11.0 349:43.0 350:21.0 352:26.0 353:9.0 354:1.0 355:12.0 356:210.0 357:9048.0 358:2684.0 359:1369.0 360:281.0 361:84.0 362:307.0 363:42.0 364:51.0 366:36.0 369:22.0 370:1340.0 371:371.0 372:242.0 373:738.0 374:219.0 375:92.0 376:38.0 377:16.0 378:31.0 379:3.0 386:27.0 387:892.0 388:329.0 389:449.0 390:134.0 391:73.0 392:6.0 400:2.0 401:18.0 408:52.0 410:36.0 415:60.0 417:8.0 419:13.0 422:7.0 424:2.0 426:25.0 431:40.0 444:24.0 445:1230.0 446:455.0 447:210.0 448:62.0 449:17.0 450:2.0 456:3.0 467:4.0 484:27.0 487:37.0 490:1.0 495:14.0 499:5.0 754 C03189 AWUCVROLDVIAJX-UHFFFAOYSA-N glycerol-3-galactoside 800205 204 100875 85:119.0 86:50.0 88:92.0 89:704.0 90:63.0 97:170.0 99:209.0 101:1588.0 102:180.0 103:7466.0 104:638.0 105:274.0 113:140.0 114:16.0 115:228.0 116:505.0 117:2068.0 118:19.0 119:111.0 129:3086.0 130:248.0 131:1536.0 132:221.0 133:1744.0 135:112.0 136:31.0 141:23.0 143:419.0 144:45.0 147:6254.0 148:466.0 149:464.0 150:25.0 158:13.0 159:168.0 169:405.0 172:18.0 175:156.0 189:502.0 190:237.0 191:1005.0 192:114.0 193:51.0 199:32.0 203:276.0 204:12834.0 205:2295.0 206:1051.0 207:226.0 210:26.0 211:18.0 215:29.0 217:2304.0 218:608.0 219:433.0 220:66.0 222:44.0 231:179.0 232:11.0 234:25.0 241:33.0 242:53.0 243:183.0 257:79.0 265:43.0 271:64.0 277:37.0 294:50.0 305:137.0 306:14.0 308:57.0 309:18.0 313:22.0 317:15.0 322:58.0 325:7.0 332:41.0 333:71.0 335:52.0 337:433.0 338:151.0 339:62.0 345:9.0 346:14.0 347:23.0 351:56.0 353:42.0 360:38.0 361:212.0 362:89.0 363:59.0 364:10.0 365:9.0 378:42.0 420:28.0 443:12.0 479:10.0 481:38.0 484:22.0 494:24.0 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 344466 205 30 85:1069.0 86:1979.0 87:2157.0 88:1086.0 89:5466.0 90:494.0 91:283.0 94:134.0 97:170.0 99:483.0 100:547.0 101:7688.0 102:1229.0 103:30772.0 104:2994.0 105:1697.0 106:143.0 108:135.0 109:140.0 111:130.0 112:89.0 113:993.0 114:232.0 115:2539.0 116:2329.0 117:35562.0 118:3659.0 119:3831.0 120:444.0 121:441.0 122:107.0 123:185.0 124:113.0 128:225.0 129:5116.0 130:612.0 131:6207.0 132:1094.0 133:25238.0 134:3729.0 135:2380.0 136:427.0 139:148.0 143:244.0 146:99.0 147:56187.0 148:9192.0 149:6633.0 150:722.0 152:125.0 153:108.0 154:82.0 155:38.0 157:61.0 159:389.0 161:182.0 162:155.0 163:742.0 164:142.0 167:218.0 169:149.0 170:124.0 172:83.0 173:244.0 174:3454.0 175:3869.0 176:705.0 177:2097.0 178:209.0 179:212.0 180:52.0 182:221.0 185:175.0 186:146.0 187:33.0 188:143.0 189:384.0 190:167.0 191:2078.0 192:449.0 196:57.0 198:79.0 199:86.0 200:53.0 203:1850.0 204:2494.0 205:18669.0 206:3433.0 207:1121.0 209:158.0 215:40.0 217:803.0 218:5122.0 219:1032.0 220:397.0 221:185.0 232:51.0 234:25.0 237:49.0 246:9.0 247:26.0 252:59.0 257:68.0 260:59.0 263:56.0 268:27.0 282:48.0 293:320.0 294:88.0 297:40.0 298:193.0 302:296.0 306:55.0 307:52.0 308:45.0 317:86.0 319:41.0 320:37.0 322:37.0 323:32.0 324:32.0 329:28.0 330:8.0 331:23.0 332:27.0 334:31.0 335:25.0 336:33.0 343:23.0 344:15.0 348:42.0 355:27.0 357:46.0 363:26.0 365:29.0 368:41.0 370:42.0 376:9.0 377:33.0 378:28.0 379:19.0 380:43.0 381:23.0 382:27.0 384:25.0 385:41.0 387:14.0 388:32.0 390:20.0 393:42.0 395:30.0 396:32.0 397:33.0 398:12.0 399:32.0 402:25.0 410:13.0 424:25.0 429:12.0 431:45.0 440:18.0 442:24.0 444:23.0 446:7.0 447:27.0 449:16.0 451:13.0 454:23.0 469:24.0 470:8.0 471:27.0 472:27.0 473:15.0 474:23.0 480:12.0 483:20.0 485:21.0 490:35.0 491:25.0 492:31.0 494:33.0 496:34.0 497:11.0 499:40.0 500:25.0 753 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N glyceric acid 377495 189 48 87:199.0 89:698.0 90:111.0 93:56.0 98:33.0 99:176.0 100:63.0 101:1315.0 102:3672.0 103:4054.0 104:371.0 105:293.0 106:106.0 107:60.0 108:48.0 113:36.0 114:94.0 115:261.0 116:366.0 117:2480.0 119:409.0 122:34.0 130:941.0 131:1036.0 133:4658.0 135:416.0 142:23.0 147:8908.0 148:1388.0 149:813.0 157:22.0 158:22.0 159:33.0 161:42.0 162:30.0 163:86.0 166:42.0 175:382.0 176:31.0 177:220.0 189:3993.0 190:816.0 191:384.0 200:21.0 204:145.0 205:651.0 206:186.0 207:46.0 208:59.0 211:24.0 217:219.0 218:46.0 219:121.0 220:23.0 221:61.0 222:50.0 237:34.0 243:25.0 245:26.0 261:32.0 264:27.0 270:30.0 273:47.0 284:30.0 285:37.0 292:1142.0 293:273.0 294:107.0 305:33.0 307:198.0 308:34.0 310:45.0 312:36.0 313:47.0 315:36.0 316:51.0 317:52.0 322:29.0 323:52.0 324:63.0 325:50.0 329:36.0 332:14.0 344:46.0 345:20.0 359:28.0 363:19.0 364:40.0 373:28.0 404:21.0 418:24.0 428:15.0 439:37.0 443:47.0 447:30.0 448:29.0 456:41.0 460:25.0 463:14.0 466:8.0 472:46.0 477:16.0 478:39.0 480:38.0 482:35.0 439194 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-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 529100 246 28 85:1143.0 86:983.0 87:725.0 88:453.0 89:313.0 90:36.0 91:51.0 95:189.0 96:269.0 97:224.0 98:467.0 99:626.0 100:5243.0 101:1252.0 102:493.0 103:1043.0 104:79.0 105:259.0 108:335.0 109:58.0 110:448.0 111:44.0 112:737.0 113:669.0 114:1398.0 115:911.0 116:669.0 117:712.0 118:217.0 119:303.0 120:26.0 122:179.0 123:41.0 125:90.0 126:202.0 127:190.0 128:17149.0 129:3445.0 130:1476.0 131:1330.0 132:969.0 133:3394.0 134:466.0 135:117.0 139:66.0 140:2017.0 141:344.0 142:289.0 143:479.0 144:208.0 145:181.0 146:73.0 147:12395.0 148:1869.0 149:2656.0 150:257.0 151:102.0 152:182.0 153:58.0 154:124.0 155:158.0 156:9249.0 157:1356.0 158:1273.0 159:344.0 160:91.0 161:30.0 163:60.0 164:48.0 165:46.0 168:93.0 170:90.0 172:163.0 173:126.0 174:375.0 175:16.0 176:12.0 177:67.0 179:59.0 180:166.0 184:7.0 185:48.0 186:82.0 188:139.0 189:92.0 190:42.0 191:50.0 192:24.0 195:102.0 196:48.0 197:42.0 199:41.0 200:39.0 202:206.0 203:133.0 204:691.0 205:186.0 206:69.0 214:316.0 216:158.0 218:917.0 219:152.0 220:106.0 221:127.0 228:111.0 229:56.0 230:3305.0 231:516.0 232:210.0 234:35.0 241:24.0 242:12.0 245:258.0 246:17742.0 247:3507.0 248:1253.0 249:165.0 254:76.0 258:309.0 259:1.0 274:179.0 276:36.0 279:16.0 285:15.0 289:9.0 294:13.0 299:51.0 302:15.0 304:18.0 307:61.0 320:6.0 321:42.0 324:8.0 332:17.0 348:537.0 349:201.0 350:27.0 363:189.0 365:57.0 380:18.0 392:22.0 402:24.0 403:14.0 405:16.0 447:18.0 468:17.0 489:19.0 491:13.0 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N glucose-6-phosphate 818275 387 308 89:2051.0 90:203.0 91:178.0 94:11.0 95:62.0 98:94.0 99:125.0 100:221.0 101:1887.0 102:354.0 103:2375.0 104:220.0 105:395.0 107:50.0 109:82.0 111:94.0 112:58.0 113:214.0 115:231.0 116:632.0 117:455.0 119:268.0 121:26.0 122:30.0 125:55.0 128:126.0 129:3069.0 130:602.0 131:1273.0 132:58.0 133:2409.0 134:158.0 135:122.0 137:37.0 140:51.0 141:115.0 142:97.0 143:74.0 144:29.0 145:148.0 146:37.0 147:4873.0 148:464.0 149:599.0 151:95.0 153:23.0 157:1012.0 158:176.0 159:130.0 160:1147.0 161:363.0 162:72.0 163:117.0 169:136.0 170:48.0 173:13.0 177:79.0 182:11.0 183:103.0 185:59.0 186:54.0 188:66.0 189:160.0 191:384.0 192:46.0 193:105.0 194:53.0 195:138.0 197:10.0 201:29.0 203:38.0 204:359.0 205:33.0 206:54.0 207:360.0 211:970.0 212:178.0 213:65.0 217:979.0 218:154.0 219:118.0 225:301.0 226:58.0 227:126.0 229:132.0 230:110.0 231:15.0 235:44.0 240:19.0 243:85.0 246:34.0 247:340.0 253:43.0 254:35.0 255:22.0 257:12.0 268:42.0 269:80.0 270:62.0 271:12.0 275:14.0 277:13.0 283:111.0 284:40.0 285:101.0 286:52.0 289:28.0 291:46.0 292:16.0 298:100.0 299:2546.0 300:668.0 301:280.0 302:67.0 304:20.0 305:18.0 307:21.0 313:46.0 314:79.0 315:1212.0 316:256.0 317:94.0 318:35.0 328:44.0 330:11.0 331:35.0 336:19.0 340:18.0 341:103.0 343:35.0 354:13.0 356:12.0 357:807.0 358:199.0 359:128.0 364:12.0 372:15.0 373:38.0 374:41.0 375:9.0 386:143.0 387:2721.0 388:1051.0 389:536.0 390:109.0 391:63.0 392:30.0 403:19.0 431:13.0 434:12.0 461:16.0 470:30.0 471:77.0 472:58.0 473:66.0 474:37.0 475:16.0 483:14.0 5958 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N glucose-1-phosphate 594647 217 3167 85:385.0 86:98.0 87:248.0 88:286.0 89:468.0 90:224.0 92:20.0 95:218.0 99:284.0 101:1180.0 103:1916.0 104:47.0 107:220.0 109:96.0 110:193.0 111:260.0 112:20.0 113:386.0 114:41.0 115:209.0 116:863.0 117:2309.0 118:189.0 119:243.0 125:12.0 126:151.0 128:127.0 129:1571.0 130:306.0 131:508.0 132:123.0 133:2331.0 134:352.0 135:130.0 136:1.0 139:40.0 140:858.0 141:105.0 142:138.0 143:915.0 144:125.0 145:156.0 147:8229.0 148:1243.0 149:964.0 150:76.0 151:107.0 153:55.0 155:220.0 156:22.0 157:187.0 159:40.0 160:8.0 161:143.0 163:152.0 169:760.0 170:84.0 171:30.0 177:78.0 182:7.0 183:39.0 184:231.0 185:109.0 186:40.0 189:73.0 191:1095.0 192:147.0 193:12.0 194:17.0 197:36.0 203:360.0 204:41.0 205:58.0 207:14.0 215:105.0 216:33.0 217:21439.0 218:4677.0 219:1754.0 220:265.0 221:48.0 222:7.0 223:8.0 227:47.0 229:79.0 230:32.0 231:105.0 232:1782.0 233:379.0 234:124.0 235:16.0 239:11.0 243:228.0 244:42.0 245:147.0 246:14.0 247:15.0 255:62.0 257:552.0 258:57.0 270:6.0 271:28.0 274:7.0 284:7.0 291:2.0 305:458.0 306:42.0 307:23.0 317:60.0 318:39.0 319:14.0 331:42.0 332:40.0 347:9.0 362:1.0 391:1.0 414:7.0 447:3.0 450:226.0 451:156.0 452:22.0 453:5.0 484:1.0 494:11.0 65533 C00103 HXXFSFRBOHSIMQ-VFUOTHLCSA-N glucose 659798 319 22 85:955.0 86:739.0 87:1963.0 88:1249.0 89:23654.0 90:1741.0 91:1135.0 94:110.0 95:64.0 96:681.0 97:924.0 98:177.0 99:1302.0 100:4269.0 101:5985.0 102:2628.0 103:55876.0 104:5298.0 105:6003.0 106:471.0 107:134.0 108:44.0 109:106.0 110:151.0 111:715.0 112:295.0 113:1157.0 114:1065.0 115:1902.0 116:1693.0 117:24869.0 118:2407.0 119:3013.0 120:325.0 121:179.0 122:26.0 125:71.0 126:224.0 127:784.0 128:764.0 129:26818.0 130:4097.0 131:8107.0 132:1183.0 133:20675.0 134:2878.0 135:1403.0 136:88.0 137:88.0 138:128.0 139:78.0 140:168.0 141:461.0 142:600.0 143:3011.0 144:391.0 145:752.0 146:298.0 147:74365.0 148:11914.0 149:7215.0 150:643.0 151:308.0 152:144.0 153:106.0 154:234.0 155:230.0 156:167.0 157:15880.0 158:2265.0 159:1354.0 160:26476.0 161:4855.0 162:1167.0 163:1980.0 164:353.0 165:173.0 166:66.0 167:41.0 168:218.0 169:875.0 170:314.0 171:300.0 172:779.0 173:653.0 174:336.0 175:957.0 176:247.0 177:1348.0 178:344.0 179:133.0 180:209.0 181:33.0 182:242.0 183:163.0 184:97.0 185:254.0 186:673.0 187:389.0 188:291.0 189:6007.0 190:1558.0 191:2460.0 192:417.0 193:292.0 195:60.0 196:246.0 197:91.0 198:134.0 199:66.0 200:234.0 201:1318.0 202:313.0 203:888.0 204:5053.0 205:33730.0 206:6322.0 207:3539.0 208:472.0 209:199.0 210:200.0 213:53.0 214:817.0 215:292.0 216:400.0 217:15616.0 218:2944.0 219:1198.0 220:326.0 221:1077.0 222:246.0 223:158.0 224:41.0 226:71.0 227:64.0 228:170.0 229:3566.0 230:982.0 231:1293.0 232:448.0 233:1580.0 234:523.0 235:1031.0 236:130.0 237:100.0 238:55.0 239:51.0 240:176.0 241:34.0 242:333.0 243:368.0 244:344.0 245:388.0 246:375.0 247:193.0 248:65.0 249:99.0 250:67.0 251:20.0 254:44.0 255:84.0 256:91.0 257:62.0 258:63.0 259:196.0 260:89.0 261:79.0 262:148.0 263:54.0 264:75.0 265:142.0 266:27.0 267:73.0 268:390.0 269:229.0 270:150.0 271:74.0 272:56.0 273:568.0 274:363.0 275:124.0 276:89.0 277:829.0 278:385.0 279:183.0 280:104.0 281:55.0 282:35.0 283:33.0 285:77.0 288:42.0 289:54.0 290:40.0 291:1057.0 292:312.0 293:179.0 294:59.0 295:51.0 297:42.0 299:61.0 300:246.0 302:56.0 304:108.0 305:648.0 306:254.0 307:702.0 308:154.0 309:105.0 311:48.0 312:21.0 316:37.0 317:71.0 318:429.0 319:19404.0 320:5891.0 321:2652.0 322:624.0 323:182.0 324:34.0 325:32.0 327:46.0 328:35.0 331:96.0 332:37.0 333:95.0 337:160.0 338:50.0 339:22.0 341:25.0 342:53.0 343:73.0 344:108.0 345:74.0 347:146.0 349:60.0 351:49.0 358:30.0 365:62.0 366:39.0 372:18.0 376:127.0 378:55.0 384:34.0 388:28.0 391:19.0 392:28.0 406:24.0 411:63.0 413:45.0 419:18.0 420:29.0 426:32.0 427:27.0 429:20.0 437:52.0 439:41.0 442:51.0 446:32.0 447:58.0 448:29.0 449:37.0 450:19.0 453:25.0 459:30.0 461:36.0 462:37.0 467:17.0 475:36.0 487:19.0 496:50.0 64689 C00221 WQZGKKKJIJFFOK-VFUOTHLCSA-N gluconic acid lactone 645815 220 3502 87:376.0 89:418.0 91:200.0 93:213.0 94:7.0 95:277.0 97:419.0 98:28.0 99:247.0 100:286.0 101:1266.0 102:1454.0 103:3165.0 104:660.0 105:405.0 106:2.0 107:9.0 109:98.0 111:303.0 112:10.0 113:395.0 115:310.0 117:3173.0 118:208.0 119:432.0 120:76.0 121:161.0 122:35.0 123:45.0 125:72.0 127:87.0 128:55.0 129:13415.0 130:2506.0 131:1543.0 132:118.0 133:3838.0 134:325.0 135:258.0 136:14.0 137:2.0 138:26.0 141:133.0 142:141.0 143:1366.0 145:389.0 147:11740.0 148:1908.0 149:4729.0 150:493.0 151:259.0 152:2.0 153:98.0 154:28.0 155:418.0 156:123.0 157:2620.0 158:252.0 159:132.0 160:108.0 161:157.0 162:46.0 163:139.0 164:22.0 167:84.0 169:1466.0 170:201.0 171:421.0 172:65.0 175:73.0 177:191.0 184:14.0 185:117.0 186:13.0 187:22.0 189:2316.0 190:468.0 191:1233.0 192:179.0 196:1.0 197:253.0 198:16.0 199:25.0 201:524.0 202:47.0 203:464.0 204:1891.0 205:773.0 206:179.0 207:68.0 210:5.0 212:15.0 215:359.0 216:15.0 217:2256.0 218:485.0 219:727.0 220:3024.0 221:809.0 222:262.0 223:169.0 225:14.0 227:89.0 229:2007.0 230:610.0 231:348.0 232:51.0 233:82.0 234:16.0 236:13.0 241:41.0 242:14.0 243:1111.0 244:231.0 245:456.0 246:60.0 247:29.0 250:4.0 257:191.0 258:55.0 259:226.0 271:322.0 272:48.0 273:69.0 277:14.0 287:17.0 289:59.0 290:7.0 291:85.0 292:93.0 293:17.0 295:25.0 298:24.0 299:3.0 300:5.0 304:6.0 305:123.0 306:46.0 316:60.0 317:142.0 318:36.0 319:2416.0 320:778.0 321:274.0 322:75.0 330:1.0 331:168.0 332:126.0 333:414.0 334:86.0 335:190.0 336:17.0 338:2.0 345:8.0 354:24.0 361:149.0 362:11.0 367:2.0 369:12.0 375:1.0 376:6.0 377:12.0 383:2.0 386:28.0 388:1.0 389:6.0 390:3.0 394:19.0 398:3.0 399:13.0 407:15.0 412:1.0 415:3.0 424:1.0 432:26.0 437:10.0 448:46.0 451:23.0 453:1.0 466:55.0 474:13.0 476:12.0 498:37.0 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 galactinol 1022859 204 486431 89:471.0 93:445.0 95:465.0 96:286.0 101:996.0 102:479.0 103:12760.0 104:1328.0 105:577.0 107:140.0 109:508.0 111:211.0 113:404.0 114:196.0 116:776.0 117:2319.0 118:317.0 119:643.0 127:231.0 129:12819.0 130:1291.0 131:2537.0 133:3700.0 134:709.0 135:546.0 139:406.0 141:290.0 143:2153.0 144:438.0 145:148.0 147:21894.0 148:3580.0 149:2627.0 150:154.0 151:425.0 155:317.0 156:209.0 157:1238.0 158:178.0 159:118.0 161:430.0 162:124.0 163:412.0 169:3110.0 170:580.0 173:406.0 175:332.0 176:109.0 177:642.0 181:161.0 184:80.0 185:88.0 186:133.0 189:1763.0 190:1030.0 191:16820.0 192:2947.0 193:373.0 201:185.0 203:859.0 204:62888.0 205:12972.0 206:5694.0 207:1376.0 211:200.0 215:432.0 216:205.0 217:16253.0 218:3730.0 219:1622.0 220:228.0 221:1370.0 222:486.0 229:643.0 230:1577.0 231:1034.0 232:308.0 233:356.0 241:232.0 242:147.0 243:2432.0 244:469.0 245:1044.0 246:50.0 257:164.0 264:68.0 270:69.0 271:1546.0 272:327.0 273:127.0 275:46.0 278:52.0 291:503.0 292:281.0 293:608.0 294:269.0 302:93.0 304:374.0 305:2911.0 306:495.0 307:372.0 308:151.0 317:299.0 318:1223.0 319:1221.0 320:88.0 321:165.0 322:72.0 323:61.0 331:471.0 332:336.0 333:33.0 334:33.0 336:74.0 343:1560.0 344:431.0 345:486.0 347:114.0 352:88.0 356:104.0 359:145.0 360:244.0 361:3876.0 362:1264.0 363:660.0 364:155.0 368:87.0 369:79.0 378:42.0 394:57.0 397:49.0 405:80.0 407:76.0 419:138.0 431:54.0 433:1717.0 434:697.0 435:329.0 436:114.0 451:105.0 453:37.0 471:12.0 489:72.0 490:100.0 497:25.0 11727586 VCWMRQDBPZKXKG-ZNVDUFQESA-N fumaric acid 392338 245 64523 87:4096.0 89:14447.0 93:5424.0 95:1377.0 97:17909.0 98:22930.0 99:25859.0 103:25556.0 104:4519.0 105:12225.0 106:1044.0 108:401.0 109:85.0 111:5421.0 113:36144.0 114:4711.0 115:203643.0 116:17056.0 117:40588.0 118:8308.0 119:17857.0 120:1207.0 121:1194.0 122:832.0 123:134.0 126:21945.0 127:60663.0 128:24748.0 129:5497.0 131:43947.0 132:16519.0 133:243740.0 134:26331.0 135:17144.0 136:749.0 138:220.0 142:11736.0 143:306504.0 144:10266.0 145:4658.0 147:1100136.0 148:148899.0 149:135665.0 150:11477.0 151:6751.0 153:1227.0 155:127196.0 156:13954.0 157:60237.0 158:1751.0 159:8454.0 161:1756.0 164:30.0 167:44.0 170:20578.0 171:18060.0 173:8605.0 178:338.0 180:295.0 182:635.0 188:5514.0 190:1275.0 191:2006.0 192:869.0 194:369.0 195:251.0 196:134.0 198:342.0 199:1382.0 201:15318.0 202:3380.0 203:2797.0 204:16378.0 206:2269.0 207:703.0 208:1082.0 209:561.0 210:542.0 212:129.0 213:1139.0 214:734.0 215:9423.0 216:4417.0 217:67553.0 218:32996.0 219:15167.0 220:4539.0 221:1901.0 222:229.0 223:93.0 225:709.0 226:236.0 227:1247.0 228:243.0 229:1410.0 230:2868.0 231:1296.0 232:632.0 233:140.0 234:388.0 235:366.0 237:464.0 239:355.0 242:3687.0 243:940.0 244:3435.0 245:1277245.0 246:125549.0 247:66109.0 259:1753.0 260:286.0 266:266.0 268:26.0 282:214.0 294:16.0 298:2487.0 312:21.0 318:8.0 324:15.0 325:12.0 336:27.0 337:23.0 338:7.0 339:26.0 340:9.0 343:16.0 345:26.0 346:13.0 347:13.0 348:25.0 350:4.0 351:17.0 352:6.0 354:39.0 355:49.0 359:38.0 360:37.0 361:19.0 364:34.0 365:35.0 367:25.0 369:6.0 374:26.0 378:36.0 379:16.0 381:17.0 384:26.0 385:32.0 390:20.0 391:28.0 393:9.0 395:29.0 397:20.0 399:34.0 400:18.0 401:35.0 402:5.0 404:25.0 405:4.0 408:30.0 411:6.0 412:22.0 414:14.0 415:15.0 417:28.0 421:31.0 426:16.0 427:2.0 428:35.0 429:19.0 431:6.0 432:7.0 434:36.0 436:15.0 437:22.0 438:33.0 439:10.0 441:26.0 442:13.0 447:3.0 448:5.0 449:17.0 451:11.0 454:11.0 458:29.0 461:23.0 462:7.0 463:41.0 464:20.0 466:6.0 467:9.0 468:24.0 469:29.0 471:1.0 472:29.0 474:19.0 476:14.0 477:3.0 479:17.0 480:29.0 483:8.0 485:11.0 486:35.0 487:4.0 488:29.0 489:31.0 490:27.0 491:32.0 493:1.0 494:19.0 498:31.0 499:24.0 444972 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N fucose 578299 160 3009 85:191.0 89:328.0 91:5.0 98:6.0 100:250.0 101:182.0 103:132.0 105:64.0 107:33.0 117:5349.0 118:423.0 119:197.0 127:28.0 129:429.0 130:344.0 131:248.0 133:363.0 134:138.0 143:112.0 147:658.0 148:60.0 159:12.0 160:926.0 161:309.0 162:4.0 171:31.0 174:36.0 189:39.0 191:27.0 204:79.0 205:9.0 206:19.0 217:28.0 219:124.0 223:10.0 231:37.0 233:151.0 235:13.0 277:238.0 278:54.0 293:13.0 299:12.0 321:80.0 332:5.0 342:6.0 356:8.0 365:2.0 459:5.0 468:1.0 475:10.0 439650 C02095 SHZGCJCMOBCMKK-FPRJBGLDSA-N fructose-6-phosphate 804750 315 110281 85:893.0 86:265.0 87:2016.0 88:832.0 89:16945.0 90:1546.0 91:1290.0 92:242.0 93:220.0 98:993.0 100:1644.0 101:12578.0 102:2237.0 103:26181.0 104:2664.0 105:3246.0 106:677.0 107:423.0 113:1447.0 114:5277.0 115:1913.0 116:2562.0 117:7001.0 118:1096.0 119:2528.0 120:327.0 121:575.0 123:235.0 124:142.0 126:1174.0 128:1202.0 129:23339.0 130:3593.0 131:5885.0 132:963.0 133:18769.0 134:2381.0 135:3722.0 137:1313.0 142:2099.0 143:2117.0 144:374.0 145:806.0 146:253.0 147:34750.0 148:5383.0 149:4366.0 150:393.0 151:810.0 152:353.0 153:219.0 154:182.0 156:630.0 157:2460.0 158:833.0 159:975.0 163:1376.0 167:275.0 168:798.0 170:205.0 172:1730.0 173:1757.0 174:696.0 175:299.0 176:78.0 177:524.0 178:79.0 180:813.0 181:1484.0 182:368.0 186:260.0 187:176.0 188:453.0 189:2029.0 190:526.0 191:2511.0 192:442.0 195:1830.0 196:391.0 197:397.0 201:527.0 202:388.0 203:657.0 204:2539.0 205:1781.0 206:475.0 207:2970.0 208:494.0 209:369.0 211:8949.0 212:1884.0 213:799.0 214:857.0 215:636.0 216:1042.0 217:26297.0 218:5392.0 219:2399.0 220:501.0 221:728.0 222:199.0 225:2116.0 227:2437.0 228:594.0 229:758.0 230:486.0 231:710.0 232:678.0 233:266.0 234:45.0 235:91.0 236:40.0 240:246.0 241:197.0 242:241.0 243:495.0 244:1070.0 245:446.0 246:355.0 247:99.0 248:121.0 253:414.0 255:255.0 256:370.0 257:273.0 258:131.0 259:85.0 260:962.0 261:243.0 262:1289.0 263:146.0 264:65.0 265:37.0 268:386.0 270:424.0 271:309.0 272:211.0 273:34.0 275:98.0 276:35.0 278:19.0 285:858.0 286:554.0 287:252.0 288:108.0 289:74.0 293:42.0 298:612.0 299:17747.0 300:5356.0 301:2765.0 302:759.0 303:324.0 304:165.0 305:162.0 306:88.0 308:122.0 309:115.0 313:422.0 314:1405.0 315:36691.0 316:10064.0 317:4976.0 318:1088.0 319:424.0 320:79.0 321:25.0 327:51.0 328:503.0 329:175.0 330:133.0 332:29.0 333:106.0 334:112.0 335:65.0 336:9.0 340:51.0 341:673.0 342:474.0 343:179.0 344:215.0 345:21.0 346:138.0 347:17.0 348:40.0 355:47.0 356:223.0 357:4404.0 358:1527.0 359:727.0 360:358.0 361:163.0 362:57.0 369:46.0 370:108.0 371:200.0 372:124.0 373:615.0 374:440.0 375:167.0 376:169.0 377:88.0 378:18.0 381:47.0 383:17.0 387:1752.0 388:478.0 389:481.0 390:151.0 391:55.0 392:112.0 393:9.0 395:19.0 398:36.0 402:124.0 403:1187.0 404:482.0 405:297.0 406:135.0 407:124.0 408:85.0 409:42.0 411:20.0 414:21.0 417:36.0 428:84.0 429:39.0 432:55.0 433:46.0 434:95.0 435:71.0 445:26.0 448:59.0 449:250.0 450:157.0 451:79.0 452:36.0 458:331.0 459:2085.0 460:1085.0 461:887.0 462:306.0 463:153.0 464:63.0 465:86.0 466:28.0 487:37.0 488:38.0 440641 C05345 BGWGXPAPYGQALX-ARQDHWQXSA-N fructose-1-phosphate 803180 387 87944 85:2904.0 86:1256.0 87:2847.0 88:1255.0 89:29955.0 90:2888.0 91:1736.0 92:260.0 93:456.0 94:1104.0 95:539.0 96:1537.0 97:703.0 98:2163.0 99:2761.0 100:3841.0 101:9449.0 102:2472.0 103:74194.0 104:7528.0 105:6633.0 106:1031.0 107:1009.0 108:457.0 109:716.0 110:995.0 111:1390.0 112:1250.0 113:5102.0 114:3736.0 115:4741.0 116:3740.0 117:20204.0 118:2636.0 119:4150.0 120:584.0 121:1618.0 122:319.0 123:651.0 124:1252.0 125:770.0 126:2355.0 127:1186.0 128:3773.0 129:18433.0 130:3039.0 131:9129.0 132:1607.0 133:29675.0 134:4255.0 135:5833.0 136:831.0 137:1949.0 138:1457.0 139:632.0 140:1233.0 141:1145.0 142:21429.0 143:5834.0 144:2155.0 145:1532.0 146:720.0 147:66208.0 148:10892.0 149:7393.0 150:1249.0 151:2234.0 152:1110.0 153:758.0 154:2064.0 155:989.0 156:2070.0 157:2302.0 158:2986.0 159:1186.0 160:322.0 161:484.0 162:284.0 163:4835.0 164:1021.0 165:1702.0 166:714.0 167:964.0 168:1854.0 169:872.0 170:1477.0 171:568.0 172:1581.0 173:31126.0 174:5641.0 175:2869.0 176:576.0 177:958.0 178:342.0 179:728.0 180:2083.0 181:2829.0 182:1342.0 183:1277.0 184:1088.0 185:503.0 186:606.0 187:469.0 188:530.0 189:6244.0 190:1580.0 191:4965.0 192:1064.0 193:3191.0 194:700.0 195:2234.0 196:1871.0 197:1290.0 198:1634.0 199:388.0 200:612.0 201:519.0 202:932.0 203:1127.0 204:4258.0 205:7903.0 206:1856.0 207:4328.0 208:992.0 209:1034.0 210:744.0 211:9274.0 212:1973.0 213:1213.0 214:867.0 215:625.0 216:353.0 217:20572.0 218:4476.0 219:2250.0 220:401.0 221:1897.0 222:530.0 223:416.0 224:189.0 225:5361.0 226:1498.0 227:2017.0 228:1277.0 229:1614.0 230:1118.0 231:461.0 232:256.0 233:129.0 234:92.0 235:23.0 236:3312.0 237:739.0 238:516.0 239:206.0 240:786.0 241:1330.0 242:959.0 243:1095.0 244:5667.0 245:1867.0 246:580.0 247:154.0 248:125.0 249:51.0 250:189.0 251:106.0 252:318.0 253:265.0 254:440.0 255:485.0 256:963.0 257:349.0 258:442.0 259:204.0 260:180.0 261:68.0 262:768.0 263:188.0 264:88.0 265:238.0 266:1429.0 267:646.0 268:1602.0 269:1105.0 270:979.0 271:621.0 272:691.0 273:336.0 274:184.0 275:209.0 276:208.0 277:1309.0 278:468.0 279:197.0 280:57.0 281:72.0 282:481.0 283:1718.0 284:558.0 285:1028.0 286:2767.0 287:850.0 288:368.0 289:116.0 290:59.0 291:1032.0 292:210.0 293:256.0 294:34.0 295:144.0 296:57.0 297:35.0 298:795.0 299:27410.0 300:7974.0 301:4233.0 302:1333.0 303:502.0 304:328.0 305:579.0 306:1051.0 307:2053.0 308:785.0 309:342.0 310:254.0 311:200.0 312:172.0 313:414.0 314:1717.0 315:19230.0 316:5501.0 317:2850.0 318:1222.0 319:1422.0 320:514.0 321:199.0 322:75.0 323:4.0 324:33.0 325:28.0 326:299.0 327:157.0 328:361.0 329:322.0 330:316.0 331:162.0 332:67.0 333:62.0 334:51.0 335:19.0 336:50.0 337:20.0 338:58.0 339:24.0 340:371.0 341:29.0 342:439.0 343:467.0 344:297.0 345:148.0 346:95.0 347:43.0 350:22.0 351:44.0 352:34.0 353:345.0 354:4289.0 355:1576.0 356:798.0 357:508.0 358:271.0 359:391.0 360:210.0 361:114.0 362:96.0 363:31.0 364:10.0 365:23.0 366:8.0 367:57.0 368:142.0 369:64.0 370:323.0 371:313.0 372:173.0 373:974.0 374:1052.0 375:431.0 376:472.0 377:184.0 378:115.0 379:54.0 380:67.0 381:72.0 382:25.0 383:44.0 384:448.0 385:499.0 386:2823.0 387:36359.0 388:14229.0 389:8217.0 390:2359.0 391:861.0 392:1112.0 393:384.0 394:242.0 395:193.0 396:649.0 397:371.0 398:117.0 399:35.0 400:87.0 401:44.0 402:55.0 403:8.0 405:6.0 406:131.0 407:882.0 408:448.0 409:226.0 411:51.0 412:89.0 413:343.0 414:3636.0 415:2167.0 416:927.0 417:424.0 418:132.0 419:78.0 420:130.0 421:111.0 422:15.0 424:47.0 426:89.0 427:213.0 428:338.0 429:208.0 430:75.0 431:49.0 432:123.0 433:108.0 434:64.0 435:45.0 437:16.0 438:24.0 439:28.0 440:5.0 441:48.0 443:23.0 447:32.0 448:32.0 449:79.0 450:20.0 452:244.0 453:90.0 454:105.0 455:48.0 456:14.0 457:9.0 458:5.0 460:68.0 461:197.0 462:86.0 463:65.0 464:41.0 465:23.0 466:43.0 467:31.0 468:138.0 469:33.0 470:257.0 471:70.0 472:79.0 473:7.0 480:71.0 481:48.0 482:37.0 483:144.0 484:929.0 485:422.0 486:355.0 487:41.0 488:79.0 489:39.0 491:5.0 494:7.0 495:7.0 496:40.0 497:40.0 498:43.0 499:34.0 500:96.0 439394 C01094 RHKKZBWRNHGJEZ-VRPWFDPXSA-N fructose 639442 307 21 85:1065.0 86:372.0 87:1570.0 88:1347.0 89:11886.0 90:1027.0 91:450.0 94:125.0 95:108.0 96:150.0 97:341.0 98:337.0 99:854.0 100:2150.0 101:3537.0 102:951.0 103:87115.0 104:8453.0 105:4107.0 106:219.0 110:160.0 111:332.0 112:91.0 113:824.0 114:1370.0 115:1277.0 116:899.0 117:11742.0 118:1067.0 119:1473.0 120:185.0 121:95.0 124:47.0 125:43.0 126:175.0 127:390.0 129:7908.0 130:1485.0 131:4620.0 132:643.0 133:13456.0 134:1710.0 135:838.0 136:63.0 137:46.0 138:36.0 139:93.0 140:151.0 141:118.0 142:668.0 143:1229.0 144:315.0 145:720.0 146:131.0 147:31566.0 148:5489.0 149:3353.0 150:427.0 151:161.0 152:101.0 153:38.0 154:144.0 155:93.0 156:316.0 157:991.0 158:386.0 159:304.0 160:97.0 161:176.0 162:65.0 163:975.0 164:200.0 165:158.0 166:46.0 167:27.0 168:108.0 169:86.0 170:294.0 171:86.0 172:1946.0 173:2066.0 174:149.0 175:765.0 176:95.0 177:455.0 178:99.0 179:46.0 180:136.0 181:27.0 182:79.0 183:67.0 184:145.0 185:151.0 186:280.0 187:155.0 188:268.0 189:4443.0 190:966.0 191:2168.0 192:369.0 193:183.0 194:35.0 196:50.0 198:88.0 199:60.0 200:53.0 201:988.0 202:686.0 203:527.0 204:2075.0 205:3054.0 206:556.0 207:649.0 208:121.0 209:91.0 210:50.0 213:66.0 214:325.0 215:196.0 216:592.0 217:32679.0 218:6467.0 219:2774.0 220:406.0 221:829.0 222:195.0 223:53.0 224:54.0 225:32.0 226:41.0 227:51.0 228:64.0 229:141.0 230:302.0 231:626.0 232:201.0 233:121.0 235:155.0 236:38.0 237:45.0 240:113.0 242:110.0 243:81.0 244:311.0 245:130.0 246:106.0 247:129.0 248:65.0 249:48.0 250:28.0 252:23.0 254:51.0 255:35.0 256:278.0 257:147.0 258:103.0 259:84.0 260:311.0 261:127.0 262:353.0 263:510.0 264:138.0 265:95.0 266:38.0 267:21.0 268:79.0 269:61.0 270:78.0 271:39.0 272:25.0 274:149.0 276:209.0 277:1848.0 278:638.0 279:300.0 280:98.0 281:22.0 283:22.0 288:125.0 289:70.0 290:47.0 291:449.0 292:105.0 293:43.0 294:44.0 296:21.0 299:13.0 300:42.0 302:94.0 303:109.0 304:86.0 305:195.0 306:216.0 307:8126.0 308:2307.0 309:1062.0 310:183.0 311:22.0 312:21.0 314:27.0 317:13.0 318:136.0 319:67.0 321:26.0 322:31.0 323:16.0 325:221.0 326:77.0 327:31.0 330:116.0 331:51.0 332:69.0 333:58.0 334:177.0 335:313.0 336:138.0 337:58.0 338:13.0 340:16.0 344:18.0 346:40.0 350:44.0 361:21.0 364:753.0 365:265.0 366:64.0 368:26.0 369:15.0 392:20.0 402:17.0 405:29.0 432:14.0 441:24.0 443:17.0 446:14.0 465:73.0 466:39.0 468:16.0 481:15.0 486:30.0 439709 C02336 RFSUNEUAIZKAJO-ARQDHWQXSA-N ethanolamine 343800 174 45341 85:17544.0 86:175868.0 87:37978.0 88:16848.0 89:41209.0 90:4709.0 91:10643.0 92:1773.0 93:2745.0 94:638.0 95:902.0 96:1260.0 97:1477.0 98:2978.0 99:7231.0 100:169810.0 101:52380.0 102:24044.0 103:172854.0 104:24239.0 105:38562.0 106:5669.0 107:15911.0 108:1840.0 109:5126.0 110:2504.0 111:841.0 112:951.0 113:9857.0 114:19793.0 115:72673.0 116:28088.0 117:182126.0 118:22232.0 119:55318.0 120:8272.0 121:28203.0 122:3810.0 123:12350.0 124:1123.0 125:936.0 126:1139.0 127:1285.0 128:1944.0 129:25367.0 130:29939.0 131:75453.0 132:17909.0 133:346120.0 134:46798.0 135:85438.0 136:10727.0 137:39974.0 138:4687.0 139:4533.0 140:538.0 141:513.0 142:688.0 143:1849.0 144:4760.0 145:5807.0 146:4232.0 147:387099.0 148:58933.0 149:41759.0 150:6187.0 151:37658.0 152:4681.0 153:6042.0 154:547.0 155:372.0 156:238.0 157:245.0 158:11060.0 159:5230.0 160:1895.0 161:3007.0 162:1204.0 163:11560.0 164:2369.0 165:17148.0 166:3588.0 167:14504.0 168:1921.0 169:1632.0 170:493.0 171:1349.0 172:7360.0 173:2691.0 174:355624.0 175:76694.0 176:32605.0 177:22022.0 178:5632.0 179:11259.0 180:3221.0 181:36991.0 182:6129.0 183:13910.0 184:1613.0 185:1557.0 186:506.0 187:1408.0 188:5266.0 189:20079.0 190:5539.0 191:67417.0 192:15546.0 193:70606.0 194:15011.0 195:18172.0 196:3434.0 197:4776.0 198:1053.0 199:778.0 200:483.0 201:1785.0 202:836.0 203:11009.0 204:14324.0 205:95030.0 206:19427.0 207:71860.0 208:16188.0 209:12865.0 210:3991.0 211:115760.0 212:19444.0 213:11349.0 214:1298.0 215:421.0 216:116.0 217:4470.0 218:28065.0 219:6037.0 220:2688.0 221:8448.0 222:2276.0 223:1954.0 224:619.0 225:40685.0 226:7711.0 227:12553.0 228:2049.0 229:997.0 230:99.0 232:201.0 233:79.0 234:17.0 235:67.0 236:24.0 237:347.0 238:137.0 239:1157.0 240:262.0 241:319.0 242:101.0 243:49.0 244:49.0 245:23.0 246:191.0 247:107.0 248:60.0 249:51.0 250:54.0 251:22.0 252:353.0 253:3251.0 254:838.0 255:2819.0 256:815.0 257:420.0 258:120.0 259:98.0 260:219.0 261:501.0 262:5133.0 263:1844.0 264:868.0 265:211.0 266:148.0 267:3778.0 268:1136.0 269:6021.0 270:1620.0 271:978.0 272:181.0 273:107.0 274:95.0 275:233.0 276:205.0 277:280.0 278:127.0 279:147.0 282:324.0 283:45654.0 284:12120.0 285:7548.0 286:1366.0 287:435.0 288:24.0 289:74.0 290:91.0 291:165.0 292:175.0 293:1722.0 294:611.0 295:379.0 296:74.0 297:452.0 298:6909.0 299:692231.0 300:187999.0 301:106447.0 302:20520.0 303:5852.0 304:891.0 305:577.0 306:703.0 307:699.0 308:683.0 309:571.0 310:575.0 311:226.0 312:106.0 314:104142.0 315:29543.0 316:16643.0 317:3316.0 318:951.0 319:145.0 320:72.0 321:41.0 322:60.0 323:7.0 334:10.0 336:1.0 337:1.0 338:8.0 341:21.0 352:33.0 353:19.0 375:1.0 394:3.0 421:7.0 467:4.0 485:2.0 491:9.0 700 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N erythrose 443306 205 102661 85:252.0 86:309.0 87:286.0 88:262.0 89:3396.0 90:347.0 98:95.0 99:207.0 100:1047.0 101:1152.0 102:512.0 103:2966.0 104:321.0 105:570.0 111:37.0 112:126.0 113:92.0 114:259.0 115:522.0 116:243.0 117:8801.0 118:811.0 119:677.0 120:43.0 121:19.0 125:24.0 126:85.0 127:101.0 128:90.0 129:712.0 130:1223.0 131:821.0 132:198.0 133:2835.0 134:401.0 135:233.0 140:40.0 141:30.0 142:111.0 143:111.0 144:41.0 145:75.0 146:37.0 147:12953.0 148:2079.0 149:1057.0 150:150.0 151:63.0 154:58.0 155:51.0 156:30.0 157:39.0 158:165.0 160:395.0 161:1979.0 162:253.0 163:560.0 164:55.0 169:17.0 170:38.0 172:75.0 173:90.0 174:34.0 175:128.0 177:231.0 178:37.0 179:24.0 182:25.0 183:24.0 184:38.0 185:26.0 186:132.0 188:50.0 189:213.0 190:44.0 192:28.0 193:35.0 195:19.0 200:94.0 201:105.0 202:64.0 203:124.0 204:154.0 205:5285.0 206:1027.0 207:402.0 208:61.0 215:24.0 216:165.0 217:158.0 218:79.0 219:24.0 221:59.0 223:21.0 228:52.0 229:28.0 230:19.0 231:94.0 232:55.0 233:175.0 234:112.0 244:42.0 245:21.0 260:113.0 261:26.0 262:156.0 263:41.0 287:19.0 288:16.0 291:42.0 298:20.0 303:19.0 304:12.0 307:21.0 319:34.0 327:22.0 329:18.0 335:18.0 350:32.0 357:23.0 400:19.0 470:17.0 439574 C01796 FMAORJIQYMIRHF-HERZVMAMSA-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 dihydroxyacetone 332120 89 22000 85:347.0 86:296.0 87:242.0 88:356.0 89:3561.0 90:168.0 97:34.0 98:98.0 99:129.0 100:1180.0 101:141.0 102:427.0 103:3726.0 104:261.0 105:358.0 110:95.0 111:8.0 114:1204.0 115:134.0 116:33.0 117:58.0 119:160.0 120:2.0 121:18.0 128:42.0 130:6.0 131:151.0 133:1424.0 134:167.0 135:46.0 136:7.0 139:4.0 142:708.0 143:3.0 147:3616.0 148:459.0 149:251.0 150:1.0 151:34.0 152:3.0 154:4.0 157:51.0 158:20.0 160:521.0 161:36.0 162:1.0 163:1626.0 164:231.0 165:86.0 170:2.0 171:11.0 172:118.0 173:1059.0 174:166.0 177:2.0 179:3.0 181:15.0 182:2.0 188:11.0 189:72.0 191:57.0 196:16.0 197:7.0 202:73.0 204:6.0 205:7.0 214:1.0 215:1.0 224:1.0 229:3.0 230:1.0 232:60.0 235:5.0 248:321.0 249:22.0 251:2.0 255:3.0 257:1.0 259:6.0 261:7.0 263:16.0 271:2.0 274:2.0 278:2.0 285:5.0 288:1.0 291:5.0 294:8.0 296:4.0 302:7.0 303:13.0 304:6.0 310:8.0 311:3.0 312:3.0 313:7.0 324:5.0 330:2.0 332:1.0 334:1.0 342:4.0 343:6.0 344:7.0 345:10.0 351:3.0 357:4.0 358:2.0 367:6.0 372:6.0 373:5.0 375:33.0 380:9.0 386:2.0 387:4.0 388:1.0 392:2.0 393:7.0 395:4.0 397:1.0 399:3.0 402:5.0 404:3.0 407:1.0 412:2.0 419:7.0 421:4.0 422:2.0 424:1.0 440:3.0 449:3.0 451:6.0 454:7.0 465:7.0 471:1.0 472:1.0 481:3.0 483:16.0 484:5.0 487:2.0 488:6.0 493:7.0 500:3.0 670 C00184 RXKJFZQQPQGTFL-UHFFFAOYSA-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 diethanolamine 353911 130 106488 85:1558.0 86:507.0 87:190.0 88:196.0 89:238.0 90:57.0 91:57.0 98:70.0 99:256.0 100:658.0 101:335.0 102:300.0 103:491.0 104:48.0 112:25.0 113:192.0 114:45.0 115:150.0 116:323.0 117:223.0 118:27.0 121:28.0 122:13.0 125:15.0 126:91.0 127:76.0 128:37.0 130:7953.0 131:914.0 132:259.0 134:31.0 141:33.0 142:84.0 144:1818.0 145:146.0 146:5126.0 147:1910.0 148:283.0 149:97.0 153:73.0 155:78.0 156:16.0 159:111.0 163:20.0 167:39.0 168:30.0 169:20.0 177:26.0 183:37.0 195:25.0 197:12.0 205:18.0 209:15.0 213:14.0 218:35.0 225:50.0 226:28.0 227:14.0 234:13.0 258:180.0 259:21.0 284:21.0 285:32.0 297:18.0 302:14.0 303:27.0 307:18.0 326:15.0 333:15.0 347:12.0 348:13.0 353:21.0 368:23.0 370:12.0 378:14.0 446:12.0 8113 C06772 ZBCBWPMODOFKDW-UHFFFAOYSA-N D-erythro-sphingosine 859500 204 126903 100:421.0 114:218.0 116:303.0 128:133.0 129:310.0 130:24.0 147:380.0 155:21.0 188:166.0 202:115.0 204:5513.0 205:732.0 206:427.0 223:20.0 345:29.0 5280335 C00319 WWUZIQQURGPMPG-KRWOKUGFSA-N dehydroascorbic acid 633423 173 3163 85:4938.0 86:2632.0 87:3842.0 88:1599.0 89:36445.0 90:4196.0 91:3962.0 92:500.0 94:671.0 95:633.0 96:448.0 97:1730.0 98:1823.0 99:5999.0 100:7321.0 101:16741.0 102:6187.0 103:11081.0 104:1207.0 105:674.0 106:1178.0 108:899.0 109:458.0 110:290.0 111:2948.0 112:1836.0 113:6752.0 114:2900.0 115:4370.0 116:6371.0 117:18187.0 118:3044.0 119:4528.0 120:1247.0 121:273.0 124:120.0 126:1913.0 127:3252.0 128:2063.0 129:59775.0 130:9498.0 131:9760.0 132:131.0 133:22246.0 134:1052.0 135:2576.0 136:211.0 137:421.0 138:246.0 139:110.0 140:936.0 141:1379.0 142:1853.0 143:103.0 144:1400.0 145:546.0 146:4235.0 147:64962.0 148:12890.0 149:11517.0 150:976.0 151:1319.0 152:101.0 153:298.0 154:685.0 155:1102.0 156:4854.0 157:135674.0 158:20234.0 159:8162.0 160:1416.0 161:514.0 162:564.0 163:4118.0 164:697.0 165:455.0 166:137.0 167:206.0 168:525.0 169:1695.0 170:1317.0 171:1335.0 172:4396.0 173:156842.0 174:23128.0 175:8648.0 176:7986.0 177:704.0 178:519.0 179:190.0 181:207.0 182:701.0 183:1427.0 184:1461.0 185:732.0 186:1670.0 187:1007.0 188:765.0 189:2473.0 190:1301.0 191:2771.0 192:955.0 197:85.0 198:992.0 199:207.0 200:577.0 201:1021.0 202:432.0 203:1345.0 204:1770.0 205:1439.0 206:369.0 207:1122.0 208:41.0 209:296.0 210:84.0 211:399.0 212:362.0 213:479.0 214:2337.0 215:1352.0 216:1979.0 217:2013.0 218:2196.0 219:875.0 220:35.0 221:1058.0 222:271.0 223:206.0 224:173.0 226:640.0 227:361.0 228:1440.0 229:1497.0 230:2769.0 231:10058.0 232:2822.0 233:871.0 234:1293.0 235:656.0 237:163.0 238:191.0 239:168.0 240:130.0 241:220.0 242:154.0 243:217.0 244:1846.0 245:22607.0 246:8560.0 247:4348.0 248:1236.0 249:258.0 250:230.0 251:86.0 252:271.0 255:279.0 256:992.0 257:2289.0 258:1377.0 259:598.0 260:291.0 261:281.0 262:240.0 263:267.0 265:132.0 268:49.0 270:128.0 271:280.0 272:1614.0 273:263.0 274:730.0 275:390.0 276:162.0 277:358.0 278:212.0 279:135.0 282:15.0 283:48.0 284:46.0 286:446.0 287:149.0 288:1672.0 289:536.0 290:444.0 291:110.0 292:226.0 293:99.0 300:431.0 301:753.0 302:153.0 303:322.0 304:459.0 305:83.0 306:277.0 307:48.0 308:135.0 313:175.0 314:174.0 315:204.0 316:27590.0 317:6583.0 318:3779.0 319:716.0 320:526.0 321:258.0 322:144.0 323:139.0 329:90.0 330:187.0 331:193.0 332:615.0 333:567.0 335:211.0 337:69.0 338:16.0 340:69.0 344:20.0 345:265.0 346:224.0 347:461.0 348:407.0 349:444.0 350:128.0 351:235.0 352:62.0 353:199.0 356:45.0 358:49.0 359:60.0 361:211.0 362:177.0 363:178.0 364:256.0 366:149.0 367:82.0 371:20.0 374:8.0 376:135.0 377:36.0 378:709.0 380:275.0 381:127.0 382:133.0 383:121.0 385:82.0 387:61.0 390:416.0 391:161.0 392:123.0 393:237.0 394:95.0 395:16.0 397:99.0 400:2.0 403:8.0 404:4.0 405:114.0 406:431.0 407:248.0 408:53.0 411:55.0 412:37.0 413:61.0 414:142.0 416:12.0 418:32.0 419:10.0 421:25.0 422:110.0 423:387.0 424:7.0 425:22.0 426:92.0 430:24.0 432:172.0 434:127.0 437:21.0 440:32.0 441:24.0 442:39.0 444:24.0 445:52.0 448:138.0 450:11.0 455:74.0 458:55.0 460:31.0 462:24.0 463:111.0 466:19.0 468:74.0 470:69.0 471:57.0 478:46.0 480:197.0 482:69.0 483:164.0 486:5.0 490:57.0 497:13.0 499:4.0 440667 C05422 SBJKKFFYIZUCET-JLAZNSOCSA-N cytidine 934269 223 137364 86:146.0 94:21.0 95:87.0 97:71.0 98:385.0 100:784.0 101:421.0 102:105.0 103:633.0 111:31.0 112:64.0 113:120.0 115:88.0 117:263.0 119:64.0 122:57.0 123:33.0 124:21.0 125:172.0 127:78.0 129:396.0 130:61.0 133:470.0 134:55.0 135:45.0 140:41.0 141:67.0 142:46.0 143:139.0 145:99.0 147:1793.0 148:178.0 149:45.0 151:48.0 152:91.0 153:72.0 163:25.0 166:62.0 167:349.0 168:863.0 169:407.0 170:222.0 172:17.0 175:22.0 182:215.0 183:52.0 184:801.0 185:97.0 186:32.0 189:63.0 193:48.0 195:447.0 196:124.0 204:113.0 212:47.0 215:113.0 217:1261.0 218:404.0 219:165.0 223:2582.0 224:338.0 225:121.0 230:92.0 240:444.0 241:149.0 242:36.0 243:480.0 244:70.0 245:1056.0 246:206.0 247:87.0 254:132.0 255:34.0 256:414.0 257:183.0 258:243.0 284:110.0 285:78.0 298:36.0 314:80.0 315:19.0 338:14.0 348:56.0 6175 UHDGCWIWMRVCDJ-XVFCMESISA-N cystine 804619 218 94 85:108.0 86:247.0 87:139.0 88:76.0 89:69.0 91:149.0 92:44.0 93:30.0 95:38.0 98:79.0 99:84.0 100:3048.0 101:429.0 102:207.0 103:131.0 104:31.0 109:39.0 111:37.0 114:248.0 115:750.0 116:370.0 117:152.0 118:99.0 119:32.0 120:118.0 121:41.0 122:20.0 128:86.0 129:101.0 130:257.0 131:402.0 132:617.0 133:343.0 134:123.0 135:57.0 143:27.0 144:115.0 145:43.0 146:3584.0 147:1813.0 148:1380.0 149:261.0 156:21.0 157:29.0 158:55.0 160:66.0 167:29.0 172:110.0 173:20.0 174:87.0 178:272.0 179:44.0 188:147.0 194:27.0 195:18.0 201:20.0 202:50.0 203:99.0 205:31.0 207:52.0 216:208.0 218:3003.0 219:625.0 220:327.0 221:84.0 230:22.0 232:341.0 241:16.0 243:13.0 246:15.0 250:69.0 260:32.0 264:234.0 265:140.0 266:534.0 267:67.0 268:64.0 274:12.0 277:25.0 281:20.0 288:47.0 289:53.0 290:16.0 296:42.0 297:151.0 299:39.0 300:23.0 302:24.0 303:23.0 308:13.0 317:31.0 322:33.0 332:16.0 338:18.0 339:32.0 347:17.0 367:20.0 382:14.0 411:142.0 487:14.0 595 C01420 LEVWYRKDKASIDU-UHFFFAOYSA-N cysteine-glycine 715335 220 2787 85:185.0 86:404.0 88:100.0 90:67.0 91:332.0 92:34.0 94:53.0 97:57.0 98:151.0 99:49.0 100:1375.0 101:377.0 102:262.0 103:390.0 104:15.0 105:20.0 107:142.0 110:50.0 112:23.0 113:69.0 114:78.0 115:367.0 116:813.0 118:39.0 126:62.0 129:25.0 130:279.0 131:65.0 132:916.0 134:134.0 135:1.0 141:102.0 142:99.0 144:44.0 146:198.0 147:351.0 148:451.0 154:30.0 155:46.0 157:102.0 158:256.0 159:18.0 160:51.0 172:591.0 173:91.0 174:739.0 175:61.0 176:92.0 184:106.0 185:132.0 186:10.0 190:1.0 197:1.0 199:28.0 200:48.0 204:65.0 213:6.0 217:49.0 218:12.0 220:4383.0 221:868.0 222:561.0 223:12.0 232:4.0 233:9.0 252:6.0 258:3.0 263:6.0 270:4.0 271:17.0 273:14.0 275:620.0 276:137.0 277:59.0 279:4.0 287:2.0 290:28.0 292:19.0 293:41.0 299:15.0 309:6.0 324:14.0 346:2.0 351:24.0 357:1.0 361:43.0 369:24.0 379:49.0 402:1.0 411:21.0 429:9.0 445:10.0 448:2.0 450:13.0 461:5.0 463:4.0 465:8.0 486:8.0 439498 C01419 ZUKPVRWZDMRIEO-VKHMYHEASA-N cysteine sulfonic acid MassBank 558826 252 210986 85:117.0 86:542.0 87:262.0 89:210.0 90:118.0 91:210.0 93:50.0 94:38.0 95:59.0 98:452.0 99:83.0 100:8691.0 101:677.0 102:467.0 103:531.0 104:45.0 105:224.0 107:208.0 108:147.0 109:51.0 111:55.0 112:65.0 113:155.0 114:3708.0 115:10528.0 116:1387.0 117:1106.0 118:104.0 119:33.0 120:50.0 121:33.0 122:1104.0 123:119.0 124:118.0 127:219.0 128:276.0 129:195.0 131:427.0 132:589.0 133:2209.0 135:780.0 136:110.0 137:5933.0 138:581.0 139:564.0 140:105.0 141:69.0 142:147.0 144:1007.0 145:176.0 146:383.0 147:4853.0 148:1501.0 149:742.0 150:132.0 151:100.0 152:40.0 153:45.0 154:22.0 155:23.0 157:30.0 158:117.0 159:119.0 160:169.0 161:22.0 162:36.0 163:363.0 164:99.0 165:47.0 166:37.0 167:27.0 169:44.0 170:110.0 172:944.0 173:180.0 174:851.0 175:245.0 176:123.0 177:39.0 178:31.0 180:90.0 181:25.0 182:29.0 183:48.0 187:48.0 188:2699.0 189:526.0 190:300.0 191:38.0 192:23.0 193:33.0 194:30.0 196:11.0 197:14.0 198:33.0 200:58.0 201:50.0 202:367.0 203:101.0 204:120.0 205:78.0 206:37.0 208:58.0 210:136.0 211:245.0 212:70.0 213:202.0 214:59.0 215:28.0 216:1600.0 217:550.0 218:1106.0 219:251.0 220:145.0 221:77.0 222:21.0 226:36.0 227:38.0 228:36.0 229:17.0 230:98.0 232:4536.0 233:918.0 234:363.0 235:61.0 236:77.0 238:131.0 239:12.0 240:32.0 241:42.0 243:20.0 245:57.0 246:26.0 247:13.0 248:49.0 249:18.0 250:20.0 251:48.0 252:6473.0 253:1161.0 254:809.0 255:51.0 256:62.0 262:23.0 264:82.0 265:28.0 274:21.0 276:16.0 280:20.0 285:16.0 288:13.0 289:13.0 290:27.0 291:15.0 292:53.0 293:26.0 294:13.0 297:15.0 299:22.0 300:19.0 305:19.0 307:44.0 308:34.0 309:14.0 311:20.0 312:15.0 314:17.0 318:16.0 319:21.0 320:11.0 321:19.0 325:57.0 326:167.0 327:99.0 328:73.0 329:23.0 330:16.0 332:13.0 336:19.0 338:25.0 344:15.0 349:21.0 350:20.0 354:26.0 356:22.0 357:17.0 360:22.0 364:19.0 369:27.0 370:16.0 371:23.0 373:17.0 374:16.0 377:11.0 379:16.0 381:14.0 389:23.0 390:10.0 392:20.0 393:13.0 398:10.0 402:20.0 403:13.0 405:24.0 410:20.0 418:16.0 420:29.0 425:22.0 428:27.0 431:14.0 433:13.0 435:7.0 436:13.0 441:12.0 444:12.0 445:13.0 446:21.0 448:27.0 460:16.0 464:11.0 470:7.0 471:15.0 472:19.0 474:17.0 478:14.0 480:25.0 482:26.0 483:15.0 486:11.0 492:12.0 495:11.0 496:18.0 497:14.0 129636156 CLDHNWUVRZNQBD-GSVOUGTGSA-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 cystathionine 772979 218 18481 86:547.0 87:334.0 88:926.0 89:73.0 90:116.0 91:198.0 93:86.0 94:37.0 98:251.0 99:32.0 100:5732.0 101:861.0 102:512.0 103:716.0 104:72.0 112:254.0 113:42.0 114:1175.0 115:801.0 116:742.0 117:451.0 118:209.0 119:133.0 126:208.0 128:12851.0 129:1939.0 130:1180.0 131:791.0 132:939.0 133:917.0 134:198.0 135:73.0 138:192.0 142:46.0 143:41.0 144:122.0 145:63.0 146:194.0 147:5218.0 148:1466.0 149:599.0 150:66.0 156:100.0 157:65.0 158:80.0 159:82.0 160:2317.0 161:415.0 162:400.0 163:192.0 164:53.0 165:22.0 172:224.0 173:64.0 174:364.0 176:281.0 177:40.0 178:46.0 186:48.0 188:541.0 189:81.0 190:186.0 192:26.0 197:18.0 200:54.0 202:962.0 203:406.0 204:247.0 205:117.0 206:53.0 213:19.0 216:387.0 217:108.0 218:9157.0 219:2076.0 220:788.0 221:91.0 222:33.0 223:17.0 230:164.0 231:60.0 232:253.0 233:75.0 234:92.0 235:22.0 236:26.0 241:14.0 244:30.0 245:922.0 246:332.0 247:112.0 248:25.0 260:97.0 261:49.0 262:137.0 266:34.0 274:117.0 275:55.0 277:45.0 278:1669.0 279:448.0 280:243.0 288:96.0 289:28.0 291:421.0 292:531.0 293:286.0 294:108.0 439258 C02291 ILRYLPWNYFXEMH-WHFBIAKZSA-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 mino 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 caproic acid 227179 173 17664 85:240.0 86:247.0 88:292.0 90:108.0 91:68.0 92:65.0 93:256.0 94:24.0 96:1.0 97:109.0 98:110.0 99:222.0 100:6.0 107:655.0 108:5.0 110:421.0 111:48.0 113:553.0 114:55.0 116:283.0 117:3391.0 118:17.0 119:157.0 122:22.0 123:1.0 124:11.0 126:127.0 127:163.0 128:84.0 129:683.0 130:765.0 131:1193.0 132:706.0 135:9.0 136:217.0 140:70.0 145:243.0 146:58.0 150:21.0 153:2.0 161:21.0 173:3321.0 174:366.0 175:160.0 184:346.0 185:8.0 186:84.0 192:1.0 199:15.0 201:149.0 202:40.0 205:98.0 238:35.0 255:29.0 261:3.0 270:7.0 309:15.0 314:16.0 341:4.0 363:5.0 405:6.0 482:13.0 490:13.0 498:1.0 499:3.0 8892 C01585 FUZZWVXGSFPDMH-UHFFFAOYSA-N butyrolactam 277199 142 2047 85:20.0 86:58.0 88:236.0 89:101.0 99:89.0 100:965.0 101:112.0 102:36.0 107:15.0 108:64.0 110:113.0 112:60.0 113:20.0 114:80.0 115:83.0 116:36.0 134:97.0 140:21.0 142:4184.0 143:458.0 144:89.0 155:31.0 156:217.0 157:779.0 158:23.0 173:153.0 184:27.0 185:7.0 199:33.0 213:132.0 302:10.0 306:2.0 314:3.0 12025 HNJBEVLQSNELDL-UHFFFAOYSA-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-alanyl lysine 894559 174 110189 85:233.0 86:7873.0 87:1113.0 88:299.0 94:49.0 97:35.0 98:314.0 99:57.0 100:9516.0 101:1255.0 102:1023.0 106:21.0 108:212.0 109:178.0 111:45.0 112:213.0 114:227.0 115:588.0 116:687.0 118:71.0 119:90.0 126:34.0 128:1135.0 129:1015.0 130:1300.0 131:1203.0 132:372.0 133:607.0 134:161.0 135:403.0 140:111.0 141:23.0 142:839.0 143:218.0 144:205.0 146:408.0 147:1503.0 148:446.0 154:563.0 156:2083.0 157:180.0 160:154.0 165:101.0 167:511.0 170:26.0 171:52.0 172:729.0 174:32624.0 175:5792.0 176:2486.0 177:188.0 178:48.0 180:23.0 181:135.0 182:200.0 183:235.0 184:62.0 186:187.0 188:182.0 189:23.0 198:24.0 200:77.0 204:266.0 206:52.0 211:35.0 215:79.0 216:46.0 218:52.0 220:36.0 223:23.0 224:103.0 225:111.0 226:50.0 228:47.0 231:23.0 232:21.0 241:61.0 244:64.0 246:159.0 247:31.0 248:126.0 254:38.0 255:82.0 263:16.0 266:15.0 269:16.0 272:233.0 273:47.0 284:34.0 285:66.0 286:29.0 296:14.0 299:72.0 303:12.0 310:142.0 311:75.0 312:92.0 313:21.0 327:25.0 337:59.0 338:79.0 339:37.0 340:85.0 354:20.0 356:33.0 358:22.0 381:16.0 409:50.0 411:6.0 412:121.0 413:111.0 416:12.0 418:31.0 419:31.0 424:12.0 426:97.0 429:112.0 431:15.0 436:16.0 440:13.0 446:13.0 447:28.0 457:12.0 480:13.0 488:28.0 440638 C05341 PLDCWKCPEXNWJH-ZETCQYMHSA-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 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 480387 232 79 87:91.0 96:51.0 97:57.0 98:86.0 99:100.0 100:3071.0 101:325.0 102:140.0 103:85.0 115:76.0 117:579.0 118:67.0 129:72.0 130:177.0 132:82.0 133:399.0 134:83.0 142:92.0 147:1028.0 148:289.0 149:74.0 160:33.0 163:47.0 164:28.0 173:22.0 174:51.0 188:319.0 189:76.0 190:42.0 202:314.0 203:31.0 204:79.0 216:94.0 218:511.0 219:116.0 220:18.0 232:2572.0 233:417.0 234:183.0 235:21.0 267:39.0 291:15.0 306:42.0 315:14.0 316:15.0 335:36.0 344:20.0 365:13.0 379:16.0 408:22.0 482:15.0 485:20.0 494:14.0 497:35.0 5960 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N asparagine 553078 231 146 86:261.0 87:142.0 88:87.0 89:283.0 90:151.0 91:43.0 92:46.0 93:35.0 98:167.0 100:1725.0 101:112.0 102:22.0 104:36.0 107:43.0 108:48.0 109:43.0 111:105.0 112:77.0 113:62.0 114:223.0 115:405.0 116:5151.0 117:1014.0 118:309.0 119:90.0 120:36.0 125:136.0 126:95.0 128:266.0 130:448.0 131:829.0 132:2241.0 133:857.0 134:239.0 135:54.0 137:47.0 141:1377.0 142:341.0 143:178.0 144:126.0 145:46.0 146:126.0 147:2699.0 148:344.0 149:308.0 150:69.0 151:39.0 152:16.0 154:23.0 155:16.0 156:24.0 158:69.0 159:423.0 160:58.0 161:69.0 168:18.0 172:124.0 173:227.0 174:87.0 176:58.0 179:18.0 181:21.0 183:18.0 186:15.0 188:1132.0 189:241.0 190:194.0 191:45.0 192:24.0 198:17.0 199:60.0 200:23.0 201:66.0 202:375.0 203:114.0 204:161.0 205:169.0 206:99.0 207:59.0 209:21.0 210:18.0 211:17.0 213:86.0 214:72.0 215:185.0 216:111.0 217:148.0 218:371.0 219:63.0 220:25.0 223:25.0 224:22.0 227:27.0 228:20.0 229:33.0 230:32.0 231:1151.0 232:266.0 233:112.0 234:35.0 237:20.0 240:17.0 242:50.0 243:101.0 244:54.0 245:24.0 246:28.0 247:30.0 249:18.0 251:31.0 254:13.0 257:13.0 258:201.0 259:60.0 261:19.0 263:75.0 265:45.0 270:23.0 275:42.0 276:19.0 278:25.0 280:34.0 281:38.0 282:26.0 288:28.0 292:61.0 293:16.0 294:13.0 300:23.0 301:40.0 303:15.0 305:19.0 306:26.0 307:58.0 309:11.0 311:20.0 312:19.0 314:29.0 315:35.0 316:36.0 317:25.0 318:17.0 321:26.0 325:46.0 327:20.0 328:13.0 329:36.0 331:33.0 333:52.0 334:24.0 335:95.0 336:37.0 337:24.0 338:31.0 339:32.0 344:15.0 348:36.0 350:18.0 359:21.0 365:12.0 369:25.0 380:19.0 383:31.0 385:28.0 389:25.0 391:31.0 392:17.0 393:19.0 403:24.0 406:30.0 408:18.0 413:14.0 414:28.0 416:26.0 417:15.0 418:13.0 419:16.0 422:16.0 426:21.0 428:20.0 435:30.0 436:13.0 437:22.0 442:20.0 445:13.0 447:22.0 451:26.0 453:13.0 457:24.0 458:30.0 459:19.0 460:26.0 462:24.0 464:41.0 469:24.0 470:41.0 497:33.0 500:26.0 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 834339 91 6529 85:397.0 86:104.0 87:64.0 89:105.0 90:43.0 91:4416.0 92:1216.0 93:2782.0 94:1158.0 95:941.0 96:496.0 97:213.0 98:69.0 99:155.0 100:26.0 101:139.0 102:52.0 103:160.0 104:234.0 105:1843.0 106:1764.0 107:979.0 108:197.0 109:348.0 110:119.0 111:47.0 112:6.0 113:53.0 114:46.0 115:358.0 116:598.0 117:2905.0 118:489.0 119:1172.0 120:880.0 121:800.0 122:154.0 123:154.0 124:66.0 125:11.0 128:134.0 129:1503.0 130:371.0 131:1159.0 132:501.0 133:1103.0 134:337.0 135:386.0 136:136.0 137:43.0 139:53.0 140:38.0 141:160.0 142:156.0 143:220.0 144:187.0 145:645.0 146:235.0 147:136.0 148:78.0 149:122.0 150:537.0 151:70.0 153:4.0 154:17.0 155:92.0 157:326.0 158:257.0 159:257.0 160:128.0 161:262.0 162:153.0 163:36.0 164:85.0 165:8.0 166:10.0 167:13.0 168:43.0 169:161.0 170:19.0 171:260.0 172:15.0 173:185.0 174:60.0 175:293.0 176:125.0 177:106.0 178:22.0 181:24.0 182:17.0 183:114.0 185:58.0 187:150.0 188:68.0 189:78.0 190:56.0 193:1.0 196:9.0 197:63.0 201:121.0 203:100.0 204:39.0 207:15.0 211:42.0 215:50.0 216:30.0 217:21.0 222:18.0 238:56.0 239:20.0 240:7.0 258:121.0 259:43.0 272:29.0 278:3.0 279:3.0 281:1.0 305:18.0 308:15.0 315:5.0 322:6.0 326:13.0 327:3.0 330:1.0 346:1.0 359:2.0 367:1.0 401:4.0 467:7.0 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 99:13063.0 101:82300.0 102:12277.0 103:768966.0 104:72837.0 105:37260.0 106:1894.0 107:887.0 108:631.0 109:712.0 110:1444.0 111:10142.0 112:1314.0 113:15331.0 114:2643.0 115:20427.0 116:31686.0 117:283728.0 118:29774.0 119:27052.0 120:1795.0 121:1501.0 122:224.0 123:277.0 124:880.0 125:960.0 126:153.0 127:5251.0 128:3416.0 129:291231.0 130:36913.0 131:86180.0 132:12172.0 133:175001.0 134:23485.0 135:15319.0 136:530.0 137:701.0 138:817.0 139:120.0 141:2290.0 142:4036.0 143:24398.0 144:2502.0 145:8026.0 146:1394.0 147:713955.0 148:102617.0 149:68608.0 150:6193.0 151:3424.0 152:1283.0 153:2554.0 154:1045.0 155:8303.0 156:723.0 157:34490.0 158:3668.0 159:7240.0 160:997.0 161:3845.0 162:1141.0 163:9148.0 164:1429.0 165:888.0 166:631.0 168:723.0 169:1484.0 170:3298.0 171:4030.0 172:784.0 173:2079.0 175:12728.0 176:1846.0 177:7485.0 178:1576.0 179:528.0 180:518.0 182:225.0 183:325.0 184:18.0 185:315.0 186:67.0 187:1069.0 188:148.0 189:68946.0 190:15278.0 191:38759.0 192:5750.0 193:4346.0 194:715.0 195:205.0 196:669.0 199:246.0 201:943.0 203:19078.0 204:58734.0 205:131664.0 206:24662.0 207:15842.0 208:1605.0 209:1027.0 210:100.0 215:1165.0 216:436.0 217:309071.0 218:63903.0 219:24856.0 220:3434.0 221:11500.0 222:2752.0 223:1378.0 224:789.0 227:194.0 229:6193.0 230:1072.0 231:2840.0 232:296.0 237:449.0 238:51.0 240:296.0 241:93.0 242:1174.0 243:19655.0 244:4547.0 245:2089.0 246:975.0 247:883.0 248:370.0 249:423.0 250:310.0 251:221.0 252:109.0 253:275.0 254:212.0 255:516.0 256:278.0 257:296.0 258:198.0 259:203.0 260:1506.0 261:637.0 262:398.0 263:586.0 264:257.0 265:1089.0 266:477.0 267:114.0 268:244.0 270:399.0 271:290.0 272:403.0 273:352.0 274:258.0 275:151.0 276:353.0 277:16205.0 278:7064.0 279:3110.0 280:1035.0 281:378.0 282:305.0 283:243.0 284:177.0 285:75.0 286:167.0 287:77.0 288:116.0 289:271.0 290:304.0 291:7157.0 292:2309.0 293:1321.0 294:254.0 295:167.0 296:94.0 297:112.0 298:108.0 299:104.0 301:80.0 303:251.0 305:2815.0 306:5753.0 307:58476.0 308:20006.0 309:9140.0 310:2093.0 311:518.0 312:139.0 313:77.0 314:321.0 315:146.0 316:213.0 317:7328.0 318:3691.0 319:48307.0 320:17218.0 321:7749.0 322:1854.0 323:548.0 324:68.0 325:83.0 326:638.0 327:188.0 328:256.0 330:240.0 331:621.0 332:6282.0 333:2865.0 334:1312.0 335:475.0 336:142.0 337:85.0 339:53.0 340:57.0 341:76.0 342:68.0 343:95.0 344:61.0 345:147.0 346:77.0 347:53.0 349:44.0 350:79.0 351:179.0 352:90.0 353:94.0 354:75.0 355:120.0 356:81.0 357:102.0 358:63.0 359:72.0 360:94.0 361:100.0 362:123.0 363:155.0 364:106.0 365:87.0 366:57.0 367:41.0 368:96.0 369:121.0 370:75.0 371:102.0 372:93.0 373:122.0 374:103.0 375:66.0 376:115.0 377:129.0 378:115.0 379:136.0 380:125.0 381:127.0 382:116.0 383:72.0 384:103.0 385:108.0 386:123.0 387:121.0 388:77.0 389:80.0 391:84.0 392:108.0 393:128.0 394:194.0 395:1659.0 396:1017.0 397:543.0 398:189.0 399:66.0 400:65.0 401:144.0 402:112.0 403:67.0 404:84.0 405:107.0 407:534.0 408:367.0 409:385.0 410:219.0 411:152.0 412:122.0 413:97.0 414:96.0 415:103.0 416:114.0 417:99.0 418:78.0 419:52.0 420:87.0 421:205.0 422:1349.0 423:837.0 424:481.0 425:232.0 426:118.0 427:94.0 428:77.0 429:94.0 430:74.0 431:71.0 432:91.0 433:100.0 434:90.0 435:101.0 436:101.0 437:91.0 438:69.0 439:89.0 440:81.0 441:66.0 442:70.0 443:56.0 444:93.0 445:69.0 446:60.0 447:58.0 448:71.0 449:60.0 450:74.0 451:76.0 452:37.0 453:67.0 454:74.0 455:33.0 456:53.0 457:54.0 458:68.0 459:117.0 460:62.0 461:91.0 462:38.0 463:18.0 465:62.0 466:60.0 467:13.0 470:44.0 471:74.0 472:50.0 473:69.0 474:65.0 476:108.0 477:54.0 478:91.0 479:79.0 481:68.0 482:56.0 483:25.0 486:75.0 489:100.0 490:24.0 491:74.0 492:85.0 494:27.0 496:6.0 497:58.0 498:17.0 499:91.0 500:14.0 94154 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N 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 99:3004.0 100:22245.0 101:4204.0 102:2216.0 103:6429.0 104:717.0 105:691.0 106:54.0 107:157.0 108:1397.0 109:428.0 110:436.0 111:454.0 112:1270.0 113:1070.0 114:2235.0 115:12931.0 116:5935.0 117:5889.0 118:1058.0 119:1156.0 120:208.0 122:78.0 123:104.0 124:144.0 125:179.0 126:937.0 127:557.0 128:31549.0 129:30721.0 130:6109.0 131:8806.0 132:3177.0 133:8926.0 134:1583.0 135:853.0 136:143.0 137:108.0 138:335.0 139:247.0 140:389.0 141:417.0 142:1245.0 143:1149.0 144:608.0 145:1036.0 146:530.0 147:27436.0 148:4964.0 149:5016.0 150:646.0 151:380.0 152:393.0 153:184.0 154:4064.0 155:1122.0 156:1304.0 157:503.0 158:518.0 159:432.0 160:371.0 161:299.0 162:62.0 163:1222.0 164:226.0 165:101.0 168:379.0 169:185.0 170:5037.0 171:939.0 172:1788.0 173:588.0 174:1444.0 175:415.0 176:206.0 177:230.0 178:39.0 180:118.0 182:1359.0 183:309.0 184:164.0 186:171.0 187:125.0 188:1005.0 189:837.0 190:389.0 191:648.0 192:113.0 193:131.0 195:68.0 196:103.0 198:72.0 199:85.0 200:232.0 201:86.0 202:855.0 203:2392.0 204:1099.0 205:2197.0 206:518.0 207:380.0 212:122.0 213:28.0 214:69.0 215:204.0 216:527.0 217:33533.0 218:10537.0 219:3896.0 220:810.0 221:980.0 222:241.0 226:118.0 228:951.0 229:192.0 230:237.0 231:162.0 232:178.0 233:93.0 235:84.0 236:78.0 237:90.0 238:133.0 239:135.0 240:147.0 241:92.0 242:190.0 243:328.0 244:7338.0 245:1748.0 246:767.0 247:236.0 248:68.0 249:88.0 250:65.0 251:26.0 254:93.0 255:43.0 256:72.0 258:92.0 259:513.0 260:36204.0 261:8808.0 262:3440.0 263:592.0 264:96.0 271:45.0 272:2405.0 273:672.0 274:278.0 276:21.0 277:88.0 278:43.0 279:61.0 286:81.0 287:148.0 288:533.0 289:228.0 290:114.0 291:622.0 292:210.0 293:128.0 301:59.0 307:241.0 308:91.0 319:259.0 320:103.0 321:68.0 329:23.0 333:39.0 334:390.0 335:141.0 336:76.0 345:40.0 361:198.0 362:1308.0 363:600.0 364:269.0 365:52.0 376:88.0 377:651.0 378:257.0 379:138.0 380:70.0 397:33.0 458:53.0 472:15.0 494:19.0 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 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 646534 264 1764 85:258.0 92:26.0 93:169.0 98:13.0 99:241.0 100:98.0 102:99.0 104:48.0 110:149.0 111:262.0 112:6.0 116:64.0 122:1.0 124:60.0 126:21.0 129:21.0 130:276.0 137:10.0 138:43.0 139:12.0 144:218.0 148:39.0 149:1110.0 150:48.0 152:17.0 153:364.0 157:26.0 158:2.0 160:15.0 162:52.0 164:56.0 165:208.0 166:57.0 167:27.0 180:42.0 192:582.0 202:3.0 205:36.0 206:131.0 219:65.0 221:9.0 223:14.0 225:69.0 226:52.0 235:9.0 237:68.0 238:3.0 255:145.0 264:2576.0 265:565.0 266:248.0 278:7.0 279:415.0 280:50.0 282:57.0 292:9.0 293:27.0 309:145.0 425:12.0 447:1.0 470:29.0 481:9.0 190 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N 5'-deoxy-5'-methylthioadenosine 967036 236 21821 85:99.0 86:132.0 94:26.0 96:62.0 99:123.0 100:70.0 101:24.0 105:120.0 111:44.0 112:105.0 113:82.0 114:27.0 115:34.0 121:46.0 122:14.0 123:36.0 126:141.0 129:197.0 130:26.0 134:23.0 137:43.0 138:17.0 141:16.0 142:14.0 143:9.0 145:27.0 147:46.0 149:28.0 151:2.0 155:2.0 157:5.0 162:54.0 163:36.0 164:9.0 165:196.0 167:14.0 169:374.0 170:80.0 171:39.0 173:30.0 175:661.0 176:140.0 177:69.0 179:27.0 185:14.0 188:879.0 189:163.0 190:69.0 191:115.0 192:416.0 193:4.0 195:38.0 203:29.0 204:24.0 206:71.0 207:218.0 208:208.0 209:62.0 210:7.0 211:34.0 217:27.0 218:6.0 223:42.0 227:14.0 230:20.0 234:8.0 236:1235.0 237:221.0 238:8.0 241:12.0 245:58.0 246:10.0 249:71.0 251:23.0 254:19.0 257:6.0 266:12.0 274:15.0 277:2.0 278:6.0 281:58.0 283:29.0 288:12.0 291:3.0 292:1.0 295:10.0 298:11.0 299:10.0 321:10.0 327:34.0 328:31.0 341:25.0 342:1.0 346:2.0 351:5.0 360:1.0 363:17.0 365:3.0 373:10.0 375:7.0 376:2.0 389:9.0 401:3.0 406:26.0 414:16.0 416:1.0 427:14.0 429:6.0 430:3.0 439:12.0 447:19.0 451:18.0 452:7.0 454:9.0 455:10.0 457:13.0 475:8.0 487:1.0 488:6.0 491:13.0 492:8.0 493:5.0 494:28.0 498:10.0 500:28.0 439176 C00170 WUUGFSXJNOTRMR-IOSLPCCCSA-N 4-hydroxyphenylacetic acid 542795 179 31555 85:74.0 89:848.0 90:484.0 91:340.0 93:30.0 95:3.0 97:50.0 98:40.0 101:1.0 102:542.0 104:207.0 105:301.0 107:207.0 109:9.0 112:6.0 113:36.0 114:37.0 116:22.0 117:97.0 119:14.0 121:91.0 123:17.0 130:32.0 133:307.0 134:89.0 135:516.0 136:71.0 137:25.0 142:12.0 145:27.0 147:753.0 149:559.0 150:125.0 151:12.0 153:1.0 161:273.0 162:35.0 163:909.0 164:2215.0 165:409.0 166:53.0 169:9.0 171:18.0 172:6.0 175:71.0 177:262.0 178:67.0 179:2734.0 180:359.0 181:83.0 184:195.0 190:18.0 191:342.0 193:6.0 196:10.0 200:3.0 201:4.0 203:4.0 205:38.0 206:14.0 208:10.0 209:68.0 210:15.0 215:13.0 222:2.0 225:115.0 226:3.0 230:8.0 237:84.0 238:9.0 245:16.0 246:2.0 252:1115.0 253:385.0 254:111.0 255:21.0 259:4.0 265:17.0 273:2.0 281:659.0 282:143.0 283:27.0 289:1.0 296:636.0 297:193.0 298:67.0 305:3.0 306:16.0 315:9.0 316:2.0 321:8.0 322:1.0 333:12.0 334:5.0 335:20.0 336:7.0 337:2.0 344:13.0 348:7.0 350:1.0 373:1.0 423:1.0 447:3.0 457:5.0 470:6.0 486:4.0 496:15.0 127 C00642 XQXPVVBIMDBYFF-UHFFFAOYSA-N 4-hydroxybutyric acid 325027 233 85123 85:1473.0 86:1030.0 88:1141.0 90:78.0 97:88.0 99:1509.0 100:534.0 101:1470.0 102:152.0 103:1274.0 104:135.0 105:287.0 109:555.0 110:127.0 111:131.0 113:83.0 115:915.0 116:653.0 117:10011.0 118:922.0 119:717.0 129:821.0 130:174.0 131:930.0 132:466.0 133:1873.0 134:148.0 143:2878.0 144:298.0 147:42121.0 148:6583.0 149:3200.0 150:406.0 151:85.0 157:102.0 187:41.0 192:99.0 204:836.0 205:197.0 222:17.0 233:4427.0 234:653.0 235:99.0 240:17.0 253:16.0 282:37.0 304:23.0 307:32.0 340:19.0 350:18.0 403:16.0 411:20.0 431:18.0 459:15.0 463:24.0 494:12.0 498:19.0 10413 C00989 SJZRECIVHVDYJC-UHFFFAOYSA-N 4-aminobutyric acid 488730 304 1842 85:2931.0 86:36127.0 88:1868.0 89:824.0 90:367.0 91:21.0 92:27.0 93:383.0 94:61.0 95:474.0 96:289.0 97:896.0 98:1926.0 99:2673.0 100:23284.0 101:4921.0 102:4701.0 103:1487.0 104:675.0 105:715.0 106:24.0 107:184.0 108:203.0 109:406.0 110:716.0 111:335.0 112:2089.0 113:1884.0 114:3527.0 115:3212.0 116:3300.0 117:5040.0 118:1020.0 119:1376.0 120:195.0 121:54.0 122:39.0 123:55.0 124:233.0 125:201.0 126:695.0 127:750.0 128:1904.0 129:2479.0 130:8748.0 131:8086.0 132:2534.0 133:10377.0 134:1719.0 135:870.0 136:287.0 137:75.0 138:111.0 139:163.0 140:2627.0 141:840.0 142:9851.0 143:11539.0 144:2963.0 145:1333.0 146:4278.0 147:64119.0 148:10687.0 149:6221.0 150:736.0 151:258.0 152:20.0 153:184.0 154:376.0 155:175.0 157:599.0 158:3264.0 159:640.0 160:649.0 161:355.0 162:92.0 164:120.0 165:15.0 166:19.0 168:48.0 169:168.0 170:650.0 171:1117.0 172:5187.0 173:1311.0 174:125497.0 175:23155.0 176:10451.0 177:1324.0 178:203.0 180:107.0 182:126.0 183:582.0 184:249.0 185:169.0 186:1005.0 187:500.0 188:204.0 189:23.0 190:114.0 191:158.0 192:46.0 193:38.0 195:38.0 198:129.0 199:12.0 200:757.0 201:218.0 202:70.0 203:55.0 204:346.0 205:112.0 206:143.0 207:132.0 208:32.0 209:45.0 211:62.0 212:18.0 213:85.0 214:2330.0 215:446.0 216:8413.0 217:1722.0 218:833.0 219:855.0 220:154.0 221:494.0 222:331.0 223:139.0 224:65.0 225:52.0 226:139.0 228:142.0 229:5.0 230:674.0 231:271.0 232:431.0 234:73.0 235:7.0 236:154.0 237:484.0 238:156.0 239:41.0 241:7.0 242:12.0 244:81.0 246:3528.0 247:734.0 248:332.0 249:37.0 250:7.0 252:51.0 254:11.0 256:13.0 264:45.0 268:57.0 273:3.0 275:67.0 276:215.0 278:14.0 279:44.0 281:6.0 283:102.0 288:175.0 289:6.0 294:65.0 295:66.0 297:31.0 299:116.0 300:61.0 302:34.0 303:76.0 304:15710.0 305:4628.0 306:2240.0 307:385.0 308:148.0 314:97.0 318:5.0 323:19.0 325:31.0 326:4.0 341:50.0 342:25.0 343:26.0 345:2.0 351:61.0 352:28.0 355:53.0 371:319.0 372:88.0 394:11.0 449:2.0 454:8.0 475:13.0 483:13.0 487:14.0 119 C00334 BTCSSZJGUNDROE-UHFFFAOYSA-N 3-phosphoglycerate 610734 227 1667 85:3431.0 86:914.0 87:3880.0 88:915.0 89:5026.0 90:691.0 91:1326.0 92:1132.0 93:2666.0 94:226.0 95:1037.0 96:384.0 97:379.0 98:1535.0 99:3192.0 100:1292.0 101:64790.0 102:7687.0 103:9445.0 104:1320.0 105:3744.0 106:1380.0 107:1485.0 108:512.0 109:573.0 110:30.0 111:263.0 112:119.0 113:943.0 114:479.0 115:8290.0 116:19606.0 117:11090.0 118:1967.0 119:6002.0 120:1081.0 121:3497.0 122:403.0 123:1251.0 124:178.0 125:236.0 126:73.0 127:41.0 128:291.0 129:3967.0 130:558.0 131:12951.0 132:2494.0 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QWCKQJZIFLGMSD-UHFFFAOYSA-N 2,5-dihydroxypyrazine 397526 241 2254 85:168.0 86:172.0 87:115.0 93:14.0 97:710.0 98:27.0 100:66.0 108:4.0 109:15.0 111:179.0 113:419.0 114:172.0 115:562.0 127:101.0 128:126.0 129:169.0 130:13.0 140:38.0 144:10.0 145:499.0 146:11.0 167:155.0 168:17.0 172:5.0 174:1.0 177:4.0 182:157.0 183:31.0 197:1.0 211:11.0 213:6.0 215:3.0 241:1811.0 242:397.0 243:132.0 255:138.0 256:387.0 257:73.0 258:12.0 302:5.0 311:2.0 328:1.0 337:1.0 395:8.0 406:4.0 455:3.0 465:4.0 23368901 USHRADXTTYICIJ-UHFFFAOYSA-N 1-monostearin 959214 203 648 85:2387.0 86:245.0 88:342.0 89:880.0 90:108.0 91:126.0 93:404.0 94:183.0 95:2259.0 96:306.0 97:2167.0 98:609.0 99:768.0 100:91.0 101:4087.0 102:436.0 103:4290.0 104:462.0 105:416.0 106:95.0 107:246.0 108:39.0 109:1410.0 110:130.0 111:1003.0 112:196.0 113:337.0 114:74.0 115:511.0 116:2218.0 117:3517.0 118:444.0 119:328.0 120:48.0 121:179.0 122:22.0 123:677.0 124:97.0 125:278.0 128:153.0 129:4761.0 130:996.0 131:2479.0 132:1067.0 133:2217.0 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489:52.0 490:21.0 491:18.0 493:15.0 495:18.0 500:14.0 24699 D01947 VBICKXHEKHSIBG-UHFFFAOYSA-N 1-monopalmitin 900644 371 391871 85:3051.0 86:1.0 87:217.0 88:553.0 89:1186.0 90:64.0 94:336.0 95:2990.0 96:87.0 97:1809.0 98:645.0 99:1106.0 101:5698.0 102:617.0 103:4448.0 104:447.0 105:471.0 109:1280.0 111:804.0 113:313.0 115:292.0 116:2917.0 117:3820.0 118:377.0 121:148.0 122:78.0 123:492.0 124:109.0 125:482.0 128:132.0 129:4579.0 130:808.0 131:2381.0 132:1264.0 133:2875.0 134:541.0 135:93.0 137:479.0 138:41.0 139:102.0 140:38.0 141:100.0 142:91.0 143:224.0 145:1547.0 146:828.0 147:8280.0 148:1082.0 149:1278.0 150:78.0 151:278.0 154:108.0 155:56.0 158:26.0 159:206.0 161:159.0 163:265.0 164:48.0 165:116.0 166:29.0 167:26.0 169:45.0 171:33.0 173:61.0 174:161.0 175:622.0 176:88.0 183:19.0 185:92.0 186:40.0 187:838.0 188:445.0 190:43.0 191:124.0 195:38.0 201:448.0 202:79.0 203:2698.0 205:1192.0 206:14.0 210:16.0 215:26.0 216:40.0 218:203.0 219:75.0 229:40.0 231:24.0 237:73.0 239:1410.0 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207:468.0 211:4.0 216:35.0 247:4.0 272:2.0 287:4.0 296:12.0 307:8.0 329:1.0 388:12.0 397:1.0 406:15.0 410:2.0 434:10.0 438:17.0 447:1.0 477:15.0 495:3.0 498:1.0 500:3.0 2394 882646 204 2394 86:357.0 88:25.0 94:1.0 96:6.0 98:242.0 99:45.0 100:399.0 101:19.0 102:167.0 107:3.0 110:82.0 111:1.0 112:2.0 113:4.0 114:129.0 116:474.0 120:7.0 121:4.0 122:20.0 124:2.0 126:54.0 128:175.0 129:168.0 130:50.0 135:2.0 137:1.0 138:2.0 139:2.0 140:100.0 142:54.0 144:128.0 146:1.0 147:78.0 148:10.0 150:1.0 151:2.0 154:39.0 156:152.0 158:89.0 160:38.0 161:1.0 168:67.0 170:43.0 172:33.0 174:777.0 175:55.0 181:5.0 186:18.0 188:179.0 191:75.0 198:29.0 200:85.0 204:3480.0 205:564.0 206:235.0 207:3.0 208:40.0 213:3.0 217:41.0 218:21.0 220:1.0 226:36.0 239:21.0 240:80.0 241:3.0 258:4.0 272:30.0 285:49.0 286:20.0 311:4.0 312:3.0 313:1.0 314:9.0 323:1.0 325:6.0 339:45.0 340:2.0 341:10.0 429:54.0 2242 328719 211 2242 86:123.0 87:232.0 88:74.0 89:202.0 91:300.0 98:87.0 99:1.0 101:411.0 102:5.0 103:827.0 104:115.0 105:191.0 106:7.0 108:47.0 109:164.0 114:13.0 115:623.0 116:768.0 117:1825.0 118:252.0 119:298.0 120:21.0 121:187.0 122:26.0 123:158.0 128:5.0 130:59.0 133:2449.0 134:259.0 135:1125.0 136:151.0 137:800.0 138:58.0 139:79.0 147:806.0 150:2.0 151:65.0 153:82.0 154:30.0 155:339.0 165:79.0 167:198.0 174:2.0 179:78.0 181:988.0 182:141.0 183:338.0 184:98.0 191:37.0 193:32.0 195:222.0 196:51.0 197:110.0 198:1.0 211:7472.0 212:1332.0 213:687.0 214:35.0 215:1.0 221:1.0 225:405.0 226:158.0 227:2547.0 228:476.0 229:189.0 230:38.0 231:29.0 237:22.0 239:7.0 242:108.0 243:1438.0 244:266.0 245:123.0 246:9.0 248:1.0 253:53.0 267:5.0 269:257.0 270:36.0 271:18.0 279:29.0 286:10.0 288:12.0 299:31.0 334:4.0 346:27.0 356:4.0 384:1.0 392:10.0 427:3.0 432:6.0 439:4.0 443:5.0 454:4.0 473:5.0 484:2.0 2193 594117 292 2193 86:163.0 87:325.0 88:467.0 89:590.0 90:91.0 91:66.0 92:32.0 94:47.0 97:15.0 99:117.0 101:1733.0 102:1159.0 103:10610.0 104:1025.0 105:396.0 107:19.0 108:1.0 113:94.0 114:145.0 115:70.0 116:1948.0 117:4605.0 118:638.0 119:478.0 120:66.0 122:13.0 126:81.0 129:1036.0 130:1051.0 131:1101.0 132:82.0 133:1631.0 134:272.0 135:101.0 137:14.0 139:22.0 141:162.0 142:194.0 143:1146.0 144:188.0 145:203.0 146:160.0 147:8348.0 148:1606.0 149:653.0 150:6.0 151:6.0 152:66.0 154:22.0 156:43.0 157:346.0 159:71.0 160:107.0 161:386.0 162:45.0 163:40.0 168:3.0 169:75.0 171:82.0 172:30.0 173:58.0 174:1184.0 175:321.0 176:171.0 177:120.0 178:19.0 180:1.0 181:61.0 182:1.0 183:13.0 186:88.0 187:36.0 189:2116.0 190:350.0 191:738.0 192:1.0 193:83.0 201:53.0 203:33.0 204:954.0 205:1049.0 206:220.0 207:203.0 208:89.0 214:22.0 215:65.0 217:4334.0 218:821.0 219:521.0 220:95.0 221:422.0 222:123.0 223:24.0 224:3.0 226:7.0 229:28.0 230:7.0 231:51.0 232:20.0 233:53.0 235:43.0 243:213.0 244:12.0 245:17.0 248:15.0 250:2.0 253:5.0 255:8.0 257:203.0 258:100.0 259:59.0 264:3.0 265:56.0 268:2.0 269:3.0 276:9.0 277:380.0 278:133.0 279:42.0 280:26.0 285:2.0 291:46.0 292:4501.0 293:1307.0 294:599.0 295:25.0 296:10.0 298:2.0 301:17.0 303:14.0 305:424.0 306:83.0 307:555.0 308:160.0 309:72.0 310:5.0 312:2.0 313:1.0 319:67.0 320:65.0 328:1.0 331:189.0 332:48.0 333:727.0 334:221.0 335:144.0 336:6.0 337:11.0 342:2.0 348:52.0 354:6.0 361:14.0 365:8.0 369:2.0 370:4.0 371:1.0 374:2.0 379:66.0 381:4.0 383:2.0 384:2.0 386:3.0 392:8.0 399:1.0 402:17.0 403:1.0 404:8.0 407:4.0 409:9.0 416:15.0 420:4.0 421:57.0 427:4.0 429:50.0 432:22.0 434:39.0 439:9.0 440:13.0 442:11.0 445:4.0 452:1.0 453:7.0 460:2.0 464:3.0 465:2.0 466:11.0 470:14.0 471:1.0 473:2.0 477:9.0 478:11.0 481:15.0 486:1.0 491:4.0 497:7.0 498:3.0 2153 666006 144 2153 85:233.0 86:207.0 89:30.0 95:56.0 99:48.0 101:49.0 102:6.0 104:6.0 107:52.0 109:11.0 110:72.0 112:19.0 113:11.0 114:7.0 116:23.0 117:547.0 128:108.0 129:217.0 130:246.0 134:2.0 142:24.0 143:33.0 144:4367.0 145:490.0 146:380.0 147:402.0 148:8.0 154:8.0 157:117.0 159:1062.0 160:44.0 169:5.0 177:3.0 184:1.0 186:7.0 189:7.0 196:1.0 197:12.0 200:706.0 201:112.0 205:305.0 209:5.0 217:203.0 229:5.0 233:4.0 237:12.0 241:8.0 244:3.0 246:1.0 248:2.0 257:40.0 261:2.0 274:1.0 275:1.0 289:2.0 294:2.0 295:5.0 302:2.0 306:12.0 315:1.0 319:182.0 320:51.0 326:25.0 333:29.0 339:7.0 349:26.0 359:23.0 366:11.0 371:1.0 377:15.0 384:2.0 386:17.0 390:20.0 391:13.0 395:16.0 398:1.0 405:6.0 417:1.0 424:26.0 439:4.0 446:7.0 452:7.0 458:1.0 469:1.0 485:14.0 496:11.0 2082 484169 98 2082 89:1756.0 90:214.0 91:348.0 92:29.0 95:64.0 96:52.0 98:4858.0 99:243.0 100:501.0 101:108.0 103:210.0 104:55.0 105:160.0 115:336.0 116:718.0 117:261.0 119:181.0 121:77.0 124:18.0 130:133.0 131:152.0 132:58.0 133:669.0 141:27.0 142:78.0 143:47.0 144:848.0 145:257.0 147:1513.0 149:196.0 154:27.0 157:26.0 158:50.0 159:24.0 161:98.0 163:61.0 170:163.0 171:46.0 172:156.0 173:20.0 174:26.0 177:272.0 178:93.0 179:17.0 186:44.0 188:25.0 192:52.0 193:27.0 199:20.0 202:60.0 205:369.0 206:80.0 207:43.0 218:36.0 220:87.0 221:23.0 232:38.0 250:26.0 253:26.0 254:14.0 255:21.0 276:144.0 277:19.0 297:13.0 311:14.0 476:23.0 485:14.0 500:13.0 2066 216404 158 2066 86:4275.0 87:835.0 88:371.0 91:1868.0 93:1840.0 94:386.0 95:3782.0 96:1420.0 97:5744.0 98:1625.0 99:203.0 100:1860.0 101:568.0 102:4372.0 103:626.0 104:206.0 107:446.0 108:85.0 109:1443.0 110:3629.0 111:10833.0 112:12101.0 113:876.0 114:3023.0 115:747.0 116:463.0 117:2987.0 124:115.0 128:1157.0 129:378.0 133:870.0 136:35.0 140:38.0 141:69.0 142:482.0 143:183.0 144:320.0 147:2503.0 150:139.0 156:248.0 157:72.0 158:30814.0 159:3969.0 160:1012.0 161:120.0 162:68.0 164:27.0 167:10.0 168:2346.0 169:319.0 170:225.0 172:3444.0 173:568.0 175:115.0 180:37.0 184:73.0 185:41.0 186:99.0 187:274.0 188:30.0 191:429.0 192:74.0 194:61.0 195:54.0 196:34.0 199:91.0 201:65.0 203:12.0 209:50.0 210:27.0 211:52.0 213:60.0 214:49.0 218:49.0 221:79.0 224:40.0 232:27.0 237:59.0 239:16.0 240:53.0 241:47.0 242:43.0 243:35.0 244:48.0 247:51.0 248:42.0 251:55.0 252:59.0 257:43.0 258:32.0 259:54.0 260:34.0 261:61.0 263:29.0 266:30.0 267:30.0 271:38.0 272:22.0 273:22.0 274:44.0 276:45.0 277:43.0 278:71.0 279:27.0 283:20.0 284:15.0 285:71.0 286:24.0 293:57.0 298:27.0 303:33.0 304:52.0 311:37.0 314:73.0 315:44.0 316:25.0 318:42.0 319:33.0 320:26.0 321:31.0 322:37.0 323:38.0 324:31.0 325:31.0 329:29.0 333:35.0 337:41.0 339:59.0 340:16.0 341:34.0 345:60.0 347:59.0 354:35.0 355:64.0 356:54.0 357:55.0 359:58.0 361:32.0 364:52.0 367:52.0 369:44.0 371:23.0 373:55.0 374:53.0 376:56.0 379:33.0 383:43.0 386:38.0 387:51.0 388:26.0 389:51.0 390:64.0 391:43.0 396:52.0 398:24.0 401:47.0 406:63.0 408:46.0 409:11.0 411:40.0 413:14.0 414:41.0 415:49.0 416:29.0 417:26.0 418:41.0 420:36.0 422:48.0 424:52.0 427:31.0 429:63.0 431:21.0 432:43.0 433:52.0 434:59.0 437:54.0 438:17.0 439:34.0 440:26.0 441:46.0 442:28.0 444:32.0 447:40.0 449:58.0 453:27.0 454:50.0 460:36.0 461:38.0 465:48.0 466:46.0 467:57.0 468:51.0 469:35.0 473:48.0 474:55.0 475:59.0 476:47.0 480:76.0 482:49.0 484:62.0 486:51.0 487:14.0 489:60.0 492:55.0 493:51.0 497:60.0 500:39.0 2037 756085 290 2037 85:121.0 86:638.0 87:142.0 96:326.0 97:15.0 98:306.0 99:23.0 100:11740.0 101:1420.0 102:623.0 103:937.0 105:21.0 107:74.0 109:24.0 110:282.0 111:101.0 112:733.0 113:311.0 114:394.0 115:237.0 116:491.0 117:677.0 118:98.0 119:138.0 122:223.0 124:148.0 125:19.0 126:254.0 127:304.0 128:125.0 129:1418.0 130:3076.0 131:1867.0 132:606.0 133:1085.0 134:246.0 135:57.0 137:174.0 138:488.0 139:243.0 140:185.0 141:25.0 142:123.0 143:158.0 144:3800.0 145:569.0 146:3130.0 147:7879.0 148:1317.0 149:669.0 150:159.0 151:139.0 152:24.0 153:2300.0 154:3695.0 155:1246.0 156:480.0 157:63.0 158:289.0 160:34.0 161:78.0 163:163.0 164:17.0 165:9.0 166:577.0 167:390.0 168:272.0 169:491.0 170:334.0 171:68.0 172:2343.0 173:541.0 174:507.0 176:16.0 178:26.0 180:71.0 181:41.0 182:193.0 183:171.0 184:529.0 185:67.0 186:939.0 187:223.0 188:37.0 189:21.0 190:11.0 191:6596.0 192:1291.0 193:594.0 194:89.0 196:48.0 197:24.0 198:189.0 199:51.0 200:211.0 202:125.0 203:582.0 204:331.0 205:6.0 208:24.0 211:695.0 212:206.0 213:104.0 214:82.0 215:52.0 216:120.0 217:62.0 218:233.0 219:15.0 221:12.0 222:7.0 223:37.0 224:33.0 225:165.0 226:2564.0 227:1408.0 228:509.0 229:138.0 230:5.0 232:18.0 238:463.0 239:187.0 240:88.0 241:47.0 242:116.0 243:12.0 245:573.0 246:475.0 247:58.0 248:14.0 252:27.0 253:29.0 254:406.0 255:142.0 256:62.0 257:61.0 258:56.0 264:16.0 268:29.0 270:103.0 272:54.0 274:16.0 275:71.0 276:63.0 288:11.0 289:53.0 290:7596.0 291:2152.0 292:931.0 293:131.0 294:28.0 298:29.0 301:32.0 310:218.0 311:65.0 312:69.0 313:3.0 325:97.0 326:4754.0 327:1481.0 328:657.0 329:180.0 330:38.0 337:2.0 339:2.0 340:19.0 400:800.0 401:389.0 402:236.0 404:24.0 427:33.0 428:1696.0 429:752.0 430:371.0 431:94.0 439:35.0 452:20.0 2030 886791 174 2030 86:4530.0 88:241.0 89:101.0 94:17.0 96:84.0 98:815.0 99:58.0 100:2106.0 102:404.0 103:37.0 104:2.0 109:8.0 110:70.0 112:611.0 113:128.0 114:466.0 115:65.0 116:501.0 124:102.0 126:231.0 127:3.0 128:4806.0 129:804.0 130:1062.0 131:422.0 132:171.0 134:2.0 139:8.0 140:133.0 141:56.0 142:1131.0 144:306.0 146:437.0 147:246.0 148:29.0 151:2.0 152:4.0 153:2.0 156:11.0 157:51.0 158:416.0 159:125.0 160:235.0 161:84.0 163:19.0 172:851.0 173:262.0 174:12049.0 175:2287.0 176:863.0 177:45.0 179:4.0 180:3.0 184:11.0 186:466.0 187:463.0 188:364.0 189:38.0 190:18.0 192:3.0 198:31.0 200:1304.0 201:272.0 202:305.0 207:67.0 209:3.0 211:16.0 214:125.0 215:66.0 216:330.0 217:81.0 224:2.0 225:1.0 229:125.0 230:4.0 231:1.0 232:1.0 241:32.0 245:3.0 246:3.0 247:3.0 253:1.0 256:9.0 259:1.0 273:11.0 282:23.0 284:18.0 285:9.0 289:3.0 298:35.0 299:152.0 300:2.0 301:1.0 315:81.0 316:26.0 326:7.0 327:1.0 341:44.0 347:108.0 348:2.0 349:2.0 374:35.0 386:1.0 387:53.0 388:4.0 389:2.0 401:8.0 402:452.0 403:224.0 404:36.0 421:2.0 422:2.0 423:7.0 456:22.0 457:1.0 459:22.0 460:432.0 461:347.0 462:110.0 463:32.0 471:20.0 473:1.0 479:1.0 2017 905961 174 2017 85:567.0 86:1744.0 88:18.0 91:22.0 94:58.0 95:149.0 96:128.0 98:51.0 99:305.0 100:777.0 101:79.0 102:528.0 105:2.0 108:47.0 110:97.0 111:24.0 112:39.0 113:77.0 114:106.0 116:113.0 119:38.0 122:17.0 123:55.0 124:18.0 125:1.0 127:19.0 128:50.0 129:98.0 130:151.0 131:139.0 132:53.0 139:4.0 140:6.0 142:35.0 146:19.0 147:595.0 149:43.0 152:47.0 153:6.0 155:55.0 156:64.0 158:78.0 159:145.0 160:48.0 161:26.0 162:19.0 170:28.0 171:21.0 172:71.0 174:7097.0 175:1248.0 176:648.0 177:42.0 178:39.0 181:25.0 182:27.0 184:65.0 187:150.0 188:58.0 193:95.0 194:9.0 200:99.0 201:91.0 202:14.0 203:6.0 205:14.0 206:9.0 209:26.0 210:26.0 213:13.0 215:7.0 216:42.0 224:20.0 227:60.0 228:6.0 240:18.0 248:34.0 251:15.0 256:3.0 261:35.0 262:29.0 267:7.0 271:24.0 274:26.0 283:54.0 287:42.0 298:11.0 300:35.0 301:59.0 312:11.0 327:64.0 331:48.0 346:8.0 354:10.0 356:12.0 361:11.0 364:5.0 366:5.0 367:45.0 369:7.0 373:2.0 383:10.0 392:1.0 394:67.0 396:10.0 401:64.0 402:8.0 404:25.0 412:16.0 413:27.0 429:34.0 432:6.0 444:14.0 446:13.0 458:23.0 461:42.0 463:23.0 465:3.0 467:8.0 475:7.0 476:2.0 481:8.0 483:22.0 486:8.0 487:15.0 489:11.0 491:14.0 492:13.0 497:1.0 2011 609499 140 2011 87:41.0 88:1161.0 89:104.0 90:725.0 91:103.0 92:14.0 97:157.0 98:35.0 99:118.0 102:1370.0 104:71.0 108:26.0 110:247.0 112:266.0 113:54.0 116:961.0 117:111.0 124:6.0 128:89.0 130:879.0 134:7.0 140:6272.0 141:335.0 142:43.0 143:95.0 144:377.0 146:1623.0 154:3.0 156:340.0 157:16.0 158:2.0 170:25.0 172:6.0 174:38.0 176:294.0 182:3.0 184:2.0 189:483.0 190:8.0 201:1.0 204:543.0 205:15.0 206:895.0 207:57.0 208:17.0 211:250.0 212:17.0 213:419.0 214:47.0 217:222.0 221:43.0 229:1410.0 230:75.0 241:5.0 243:13.0 253:11.0 286:17.0 299:295.0 300:79.0 301:5.0 306:25.0 314:26.0 315:121.0 317:17.0 318:3.0 334:2.0 335:1.0 345:5.0 347:5.0 369:143.0 370:29.0 379:1.0 387:39.0 394:1.0 397:11.0 411:19.0 425:1.0 446:19.0 451:4.0 456:3.0 458:11.0 459:26.0 461:19.0 464:11.0 466:15.0 471:8.0 473:1.0 479:22.0 483:5.0 1981 422675 103 1981 87:36.0 94:11.0 99:55.0 101:101.0 102:156.0 103:8936.0 104:810.0 105:257.0 107:9.0 110:127.0 111:11.0 112:49.0 113:29.0 114:67.0 118:68.0 119:49.0 122:8.0 123:22.0 127:6.0 128:8.0 129:1123.0 130:142.0 131:348.0 132:5.0 133:377.0 136:4.0 144:2.0 147:2152.0 148:60.0 149:259.0 150:38.0 151:3.0 156:62.0 161:22.0 162:14.0 175:54.0 176:30.0 177:139.0 182:4.0 183:60.0 184:5.0 185:4.0 186:51.0 187:20.0 189:99.0 190:6.0 193:7.0 195:10.0 203:85.0 210:1.0 213:1.0 218:13.0 219:1243.0 220:346.0 221:111.0 222:30.0 223:24.0 224:28.0 225:2.0 231:21.0 236:26.0 239:228.0 240:10.0 241:16.0 242:17.0 243:3.0 244:12.0 245:13.0 249:1.0 250:19.0 251:4.0 254:90.0 256:40.0 259:41.0 260:2.0 261:12.0 262:2.0 267:4.0 274:13.0 278:31.0 279:16.0 285:7.0 286:5.0 289:10.0 291:8.0 293:32.0 294:8.0 298:10.0 299:82.0 302:3.0 306:13.0 308:2.0 314:14.0 319:16.0 321:77.0 322:30.0 323:19.0 326:3.0 339:2.0 340:13.0 341:16.0 342:36.0 343:4.0 344:8.0 345:13.0 346:29.0 347:7.0 350:30.0 355:9.0 357:22.0 359:5.0 361:5.0 365:2.0 366:14.0 367:14.0 368:23.0 370:1.0 373:150.0 374:35.0 376:29.0 378:4.0 379:16.0 381:3.0 385:7.0 388:2.0 389:48.0 392:27.0 396:11.0 402:1.0 403:6.0 405:18.0 406:4.0 409:5.0 410:11.0 412:17.0 415:8.0 417:10.0 422:12.0 424:1.0 426:7.0 428:8.0 434:2.0 435:27.0 437:21.0 438:5.0 439:16.0 441:13.0 445:3.0 449:34.0 450:1.0 451:5.0 452:3.0 458:27.0 463:5.0 467:13.0 469:7.0 472:14.0 473:19.0 477:39.0 479:6.0 480:19.0 483:34.0 485:2.0 490:5.0 492:16.0 495:24.0 498:21.0 1973 612315 142 1973 86:195.0 87:47.0 88:19.0 93:149.0 94:25.0 99:88.0 100:197.0 101:1528.0 102:248.0 103:53.0 104:38.0 114:27.0 116:248.0 117:107.0 129:203.0 130:176.0 131:106.0 135:10.0 140:117.0 141:30.0 142:7579.0 143:923.0 144:726.0 145:126.0 147:1341.0 148:79.0 149:131.0 158:276.0 159:12.0 174:131.0 185:16.0 186:12.0 189:8.0 196:31.0 202:4.0 204:69.0 209:9.0 218:12.0 219:9.0 237:10.0 240:8.0 245:219.0 246:71.0 274:6.0 289:9.0 296:33.0 299:42.0 301:13.0 315:21.0 316:17.0 317:2.0 368:3.0 388:21.0 404:11.0 405:11.0 452:6.0 456:2.0 470:26.0 497:2.0 1875 592702 85 1875 85:3985.0 86:239.0 87:7.0 91:37.0 95:11.0 97:96.0 98:129.0 99:1320.0 111:232.0 112:119.0 113:744.0 114:66.0 116:7.0 121:11.0 123:25.0 125:84.0 126:21.0 127:457.0 128:3.0 135:28.0 136:25.0 138:36.0 141:216.0 142:15.0 153:23.0 154:68.0 155:234.0 156:11.0 162:5.0 165:5.0 168:7.0 169:127.0 170:13.0 172:27.0 182:3.0 183:46.0 184:17.0 185:7.0 189:24.0 195:7.0 197:131.0 198:7.0 206:15.0 212:10.0 218:9.0 223:1.0 248:6.0 250:36.0 254:29.0 263:3.0 264:7.0 282:15.0 283:1.0 290:12.0 304:7.0 325:9.0 332:3.0 338:3.0 345:23.0 348:7.0 358:11.0 361:3.0 364:7.0 369:5.0 374:5.0 383:11.0 386:13.0 395:31.0 396:15.0 403:15.0 422:17.0 434:10.0 442:18.0 449:13.0 464:39.0 485:6.0 488:6.0 1846 867583 144 1846 85:74.0 86:408.0 87:28.0 94:3.0 95:25.0 98:12.0 100:503.0 102:118.0 112:20.0 113:72.0 114:106.0 127:54.0 128:36.0 129:816.0 130:100.0 131:103.0 138:42.0 144:4964.0 145:706.0 146:240.0 157:76.0 174:1347.0 175:230.0 176:62.0 177:35.0 184:10.0 186:73.0 193:32.0 197:2.0 199:12.0 201:154.0 202:37.0 203:5.0 207:58.0 209:35.0 211:28.0 212:1.0 216:19.0 223:10.0 226:4.0 232:30.0 240:16.0 251:27.0 253:12.0 263:1.0 265:1.0 267:37.0 269:79.0 275:28.0 276:5.0 281:61.0 283:2.0 294:2.0 296:1.0 298:10.0 299:151.0 307:26.0 313:49.0 314:16.0 320:2.0 322:29.0 325:17.0 327:19.0 328:38.0 330:20.0 333:6.0 336:8.0 345:2.0 348:1.0 358:10.0 363:4.0 367:9.0 370:8.0 372:21.0 373:10.0 376:11.0 378:16.0 392:10.0 404:5.0 406:2.0 411:21.0 413:8.0 415:40.0 420:5.0 432:18.0 434:33.0 438:14.0 440:15.0 442:8.0 452:2.0 455:11.0 460:2.0 466:7.0 468:26.0 470:13.0 473:8.0 476:4.0 483:16.0 488:11.0 490:22.0 492:23.0 494:9.0 495:34.0 497:7.0 1809 873701 174 1809 86:584.0 100:398.0 101:71.0 102:68.0 103:33.0 115:11.0 117:145.0 128:91.0 129:62.0 130:390.0 142:294.0 144:88.0 146:39.0 147:447.0 158:48.0 160:665.0 161:15.0 172:52.0 173:133.0 174:3397.0 175:482.0 176:101.0 201:22.0 258:36.0 262:3.0 274:17.0 344:42.0 356:371.0 357:76.0 1799 690729 174 1799 85:164.0 86:2486.0 87:228.0 88:171.0 91:79.0 92:9.0 93:89.0 94:34.0 95:35.0 98:127.0 99:17.0 100:1656.0 101:196.0 102:580.0 103:1802.0 104:170.0 105:18.0 109:19.0 110:18.0 111:41.0 112:49.0 113:64.0 114:108.0 115:156.0 116:221.0 117:1364.0 118:152.0 119:9.0 124:70.0 127:196.0 128:170.0 129:499.0 130:595.0 131:597.0 132:119.0 133:382.0 140:43.0 142:490.0 143:226.0 144:429.0 145:103.0 146:119.0 147:2464.0 148:419.0 149:219.0 154:16.0 156:282.0 157:792.0 158:488.0 159:547.0 160:156.0 161:36.0 162:9.0 163:14.0 168:57.0 170:51.0 171:15.0 172:259.0 173:34.0 174:10492.0 175:1974.0 176:821.0 177:81.0 183:3.0 184:92.0 186:18.0 188:79.0 190:16.0 194:16.0 195:80.0 200:5.0 201:614.0 202:109.0 203:46.0 214:6.0 215:10.0 216:25.0 217:238.0 218:86.0 219:58.0 228:33.0 230:38.0 231:4.0 243:39.0 244:18.0 247:227.0 248:53.0 249:15.0 252:1.0 255:4.0 257:66.0 258:12.0 261:55.0 263:4.0 272:3.0 275:38.0 282:9.0 285:50.0 286:1.0 291:463.0 292:74.0 293:25.0 294:56.0 299:103.0 300:1.0 310:8.0 311:65.0 320:1.0 328:10.0 343:18.0 353:3.0 358:4.0 361:156.0 362:11.0 386:9.0 389:9.0 400:93.0 406:6.0 408:2.0 419:96.0 420:90.0 421:31.0 422:12.0 433:3.0 435:7.0 436:7.0 444:5.0 476:6.0 479:1.0 482:2.0 496:5.0 500:5.0 1781 673754 142 1781 85:164.0 86:588.0 87:643.0 89:62.0 90:37.0 91:13.0 92:40.0 96:15.0 97:43.0 98:102.0 99:215.0 100:856.0 101:256.0 102:219.0 103:61.0 105:8.0 106:84.0 107:170.0 108:5.0 110:115.0 112:34.0 113:149.0 114:30.0 115:70.0 116:23.0 118:13.0 120:15.0 123:30.0 124:9.0 126:43.0 128:13.0 129:629.0 132:53.0 133:148.0 134:344.0 140:76.0 141:106.0 142:20967.0 143:3023.0 144:1131.0 145:64.0 146:94.0 147:387.0 151:30.0 152:2.0 154:43.0 155:84.0 156:276.0 157:58.0 158:391.0 160:212.0 163:26.0 165:45.0 167:32.0 168:26.0 169:26.0 170:56.0 171:13.0 172:19.0 173:17.0 174:872.0 175:944.0 176:186.0 177:101.0 178:9.0 179:196.0 180:59.0 181:53.0 182:9.0 185:75.0 190:29.0 197:9.0 200:2.0 202:14.0 204:12.0 205:23.0 212:8.0 213:11.0 217:39.0 218:76.0 223:16.0 225:9.0 227:4.0 229:9.0 230:4.0 232:35.0 233:21.0 234:5.0 239:11.0 241:94.0 242:31.0 243:3.0 251:26.0 253:13.0 255:10.0 257:74.0 258:8.0 264:23.0 267:13.0 268:1.0 269:27.0 271:27.0 279:1.0 282:26.0 288:28.0 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198:4.0 203:38.0 206:5.0 218:79.0 223:23.0 236:3.0 238:3.0 241:28.0 244:14.0 246:18.0 253:40.0 255:2971.0 256:417.0 257:131.0 261:10.0 263:52.0 267:16.0 278:45.0 288:4.0 304:18.0 306:16.0 321:3.0 322:36.0 327:1.0 329:114.0 330:57.0 335:14.0 340:17.0 346:13.0 347:1.0 350:6.0 360:7.0 361:9.0 371:16.0 376:26.0 381:9.0 384:10.0 387:35.0 391:10.0 396:2.0 399:8.0 401:11.0 420:16.0 421:1.0 422:4.0 429:6.0 431:10.0 440:4.0 444:11.0 450:6.0 453:20.0 454:2.0 459:14.0 468:7.0 476:15.0 481:5.0 491:3.0 493:4.0 495:16.0 497:17.0 1746 766150 156 1746 95:5.0 96:2.0 98:5.0 100:122.0 101:177.0 102:33.0 103:10.0 106:2.0 107:4.0 110:39.0 113:4.0 116:106.0 117:1181.0 118:81.0 119:62.0 121:1.0 123:2.0 129:297.0 130:152.0 131:277.0 132:18.0 133:303.0 134:137.0 135:1.0 138:3.0 140:87.0 141:140.0 143:107.0 147:825.0 151:56.0 156:5457.0 157:957.0 158:867.0 159:63.0 160:11.0 161:42.0 166:16.0 168:15.0 170:11.0 171:8.0 173:1.0 175:45.0 178:8.0 179:1.0 180:14.0 181:160.0 182:24.0 183:1.0 189:34.0 195:1.0 196:2.0 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