Validation Log 2025-12-15 00:19:05.771483 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003421/mwtab/json Study ID: ST002094 Analysis ID: AN003421 File format: json Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 12 Number of Value Errors: 14 Number of Consistency Errors: 0 Number of Format Errors: 5 Issue Log: Error: The value, "Male and female", in ["SUBJECT"]["GENDER"] should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required. Error: An empty value or a null value was detected in ["MS"]["MS_COMMENTS"]. Either a legitimate value should be provided for this key, or it should be removed altogether. Error: The required property, "FLOW_GRADIENT", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "FLOW_RATE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "COLUMN_TEMPERATURE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing. Warning: The "MS1 Composite Spectrum" column at position 11 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "composite_mass_spectrum". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Formula" column at position 13 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 C5 H9 N O 5 C22 H43 N O 6 C22 H43 N O 7 C26 H37 N O6 12 C4 H11 N O 16 C7 H15 N O2 20 C5 H9 N O2 21 C18 H35 N O2 22 C4 H11 N O2 24 C5 H11 N O2 29 C7 H16 N O2 32 C16 H25 N S 33 C6 H15 N O2 40 C13 H25 N O2 41 C13 H25 N O2 42 C13 H25 N O3 51 C17 H37 N O2 52 C18 H37 N O4 53 C18 N O19 S 54 C19 H39 Cl N5 55 C20 H41 N O5 59 C24 H47 N O 62 C26 H17 Cl N7 66 C30 H43 N2 O S 69 C44 H32 Cl N2 73 C56 H36 Cl S 79 C24 H41 N O4 85 C6 H11 N O 86 C21 H23 N O5 87 C6 H13 N O2 88 C18 H33 N O 89 C8 H18 N O2 95 C9 H17 N O5 105 C4 H9 N O 106 C5 H13 N O 107 C7 H14 N O3 111 C12 H24 O S 113 C20 H41 N O4 116 C4 N O4 S 117 C40 H36 Cl N5 O S2 119 C13 H19 Cl N2 120 C8 H17 N O 126 C18 H33 N O 127 C24 H43 N O4 130 C12 H23 N O 131 C18 H35 N O 133 C8 Br F17 136 C18 H37 N O 137 C17 H17 Cl N6 O3 146 C17 H29 N O 148 C6 H13 N O2 151 C4 H12 N O4 P 152 C6 H5 N O2 154 C14 H31 N O 159 C11 H21 N O2 162 C21 N O21 S 165 C54 H52 Cl N2 O2 S4 166 C59 H42 Cl S2 168 C25 H25 N O3 174 C26 H34 F N3 O 176 C6 H11 N O2 181 C11 H15 N O2 185 C69 H115 N O17 P2 189 C29 H57 N O6 194 C26 H39 N O5 S 197 C9 H11 N O3 199 C18 H33 N O2 204 C4 H11 N O 208 C5 H12 N O2 212 C19 H42 Cl N6 O2 214 C24 H41 N O4 219 C8 H17 N O2 230 C22 H41 N O2 231 C5 H12 N O2 232 C18 H15 N O2 238 C17 H35 N O 240 C10 H21 N O 242 C9 H17 N O2 250 C10 H24 N8 O S 257 C14 H29 N O 262 C18 H15 O P 266 C4 H11 N O2 273 C34 H35 Cl2 N14 O S 274 C48 H56 Cl N O4 S5 281 C20 H39 N O 284 C4 H11 N O3 286 C16 H29 F O2 287 C7 H14 N O2 288 C6 H6 F N 289 C8 H17 N O S 291 C33 H35 F N2 O4 292 C16 H31 N O2 S2 295 C24 H49 N O13 297 C27 H53 N O S2 307 C8 H17 N O2 312 C10 H22 O S 313 C20 H43 N O 314 C8 H11 N O3 316 C15 H25 N O3 S 322 C9 H21 N O S 331 C23 H37 N O3 333 C16 H33 N O 338 C12 H24 N O4 341 C4 H11 N O2 345 C14 H28 Cl N3 347 C20 H24 N O3 349 C24 H52 Cl N3 O2 350 C27 H55 N S2 351 C34 H19 Cl N4 353 C12 H25 N O 354 C6 H13 N O2 358 C43 H72 N O8 P 359 C17 H19 N O4 361 C9 H11 N O2 362 C6 H15 N O3 376 C16 H15 N O4 380 C36 H26 Cl N2 O2 385 C37 H68 N O8 P 399 C12 H23 N O2 402 C30 H61 N O16 403 C6 H15 Cl N2 404 C7 H16 N O3 407 C7 H9 N O2 410 C9 H15 N O3 415 C5 H9 N O2 416 C5 H9 N O2 418 C7 H14 N O2 424 C5 H12 N O2 428 C31 H46 N O5 429 C40 H25 N O2 431 C8 H2 Cl2 N S2 432 C26 H45 N O4 443 C11 H14 N O6 445 C16 H33 N O 446 C43 H68 N O8 P 448 C20 H31 N O6 451 C9 H17 N O3 455 C10 H9 N O4 458 C12 H24 N O5 461 C7 H5 N O3 469 C19 H39 N O4 478 C5 H11 N O3 483 C8 H13 N O5 487 C27 H37 F O6 488 C16 H29 F O2 490 C7 H13 N O2 492 C26 H53 N O4 S 501 C16 H25 N S 505 C16 H39 N4 O S2 506 C18 H14 N O3 S2 512 C43 H22 Cl N3 O 518 C9 H11 N O4 519 C29 H31 N O2 520 C7 H15 N O 524 C26 H45 N O7 S 525 C5 H9 N O 535 C10 H9 F O3 541 C23 H37 N S 542 C24 H49 N O13 543 C29 H57 N O2 S2 547 C7 H17 N O3 551 C6 H11 N O 552 C8 H19 N O 553 C10 H13 N O3 556 C26 H37 N O6 559 C7 H13 N O3 560 C22 H41 N O3 563 C9 H15 N O2 564 C26 H54 N O8 P 566 C27 H43 N O 567 C26 H45 N O7 S 570 C5 H9 N O 584 C22 H41 N O2 588 C15 H27 N O6 593 C28 H53 N S2 597 C5 H3 N S 603 C16 H21 N O3 609 C7 H13 N O4 610 C19 H35 N O3 612 C8 H11 N O 613 C9 H15 N O 614 C27 H25 F2 N3 O S 615 C45 H73 N O15 620 C12 H24 N O4 621 C6 H7 N O4 S 631 C8 H15 N O3 633 C6 H13 N O2 637 C17 H35 N O3 644 C24 H2 N O23 650 C44 H83 N O8 652 C3 H7 N O2 653 C6 H7 N O 655 C11 H17 N O3 658 C5 H9 N O4 662 C6 H14 N O 673 C6 H13 N O2 674 C7 H7 N O2 676 C15 H29 N O2 678 C17 H22 N O2 682 C22 H47 N O12 683 C26 H55 N O14 684 C26 H6 N O24 687 C3 H2 Cl2 N4 O S2 689 C32 H67 N O17 690 C36 H23 Cl N O2 691 C46 H88 Cl N3 O3 697 C15 H21 N O6 704 C27 H45 N O4 709 C11 H15 N O3 710 C11 H15 N O3 712 C8 H13 N O2 713 C17 H29 N O3 S 715 C26 H45 N O7 S 718 C23 H37 Cl O5 721 C15 H13 F O2 722 C10 H13 N O2 723 C17 H18 N2 O S 725 C7 H13 N O2 728 C35 H63 N O3 729 C5 H9 N O2 731 C22 H37 N O3 739 C13 H23 N O2 742 C19 H2 N O22 S 745 C26 H55 N O14 747 C28 H51 Cl N2 O4 S 748 C29 H23 N O S2 749 C31 H59 N O9 750 C38 H77 N O S2 752 C6 H7 N O5 S 753 C26 H45 N O4 755 C6 H11 N O 756 C11 H21 N O3 757 C16 H19 N O3 760 C9 H13 N O3 766 C11 H22 N O4 767 C23 H46 N O8 P 771 C25 H50 N O9 P 785 C7 H15 N O2 789 C12 H24 N O5 791 C7 H14 N O2 796 C9 H7 N O2 801 C13 H19 N O4 803 C16 H29 N O2 807 C17 H17 N O4 808 C10 H21 N O4 819 C25 H49 Cl N O5 820 C25 H52 O S2 822 C32 H24 N9 O S2 828 C8 H7 N O4 834 C9 H17 N O2 836 C8 H15 N O3 838 C6 H11 N O3 842 C11 H15 N O4 849 C14 H19 N O4 850 C14 H25 N O3 851 C25 H41 N O4 852 C25 H45 N O9 854 C9 H15 N O2 855 C11 H15 N O3 856 C11 H15 N O3 858 C12 H17 N O2 868 C12 H15 N O3 870 C10 H13 N O2 877 C4 H11 N O 878 C7 H11 N O3 885 C7 H7 N O3 891 C7 H7 N O2 901 C12 H17 N O3 914 C16 H6 N O14 S 931 C8 H2 Cl2 N S2 937 C8 H10 F N3 O3 S 940 C11 H15 N O4 942 C8 H15 N O2 949 C11 H19 N O6 950 C18 H23 N O5 952 C12 H23 N O 953 C27 H45 N O4 955 C37 H68 N O8 P 956 C28 H47 N O8 960 C39 H72 N O9 P 964 C9 H11 N O2 970 C5 H9 N O 971 C7 H11 N O4 972 C9 H17 N O3 974 C20 H23 N O6 978 C24 H39 N O4 979 C27 H37 Cl O9 982 C11 H15 N O2 988 C5 H5 N O 1008 C31 H43 N O7 1010 C33 H35 F N2 O5 1018 C15 H41 N8 O S 1024 C23 H2 N O17 S2 1026 C24 H45 N O 1029 C28 H49 Cl N5 O 1032 C3 H2 Cl2 N4 O S2 1035 C30 H63 N O16 1041 C52 H38 Cl N3 O4 1045 C49 H71 N O12 1046 C5 H14 N O4 S 1051 C18 H39 N O2 1052 C6 H13 N O3 1056 C8 H15 N O3 1065 C15 H21 N O4 1066 C12 H13 N O2 1068 C9 H11 N O3 1069 C8 H9 N O2 1070 C23 H43 N O3 1071 C8 H11 N O 1072 C6 H5 N O2 1073 C9 H15 N O2 1074 C26 H54 N O8 P 1075 C11 H11 N O 1078 C2 H7 N O3 S 1080 C9 H11 N O2 1081 C8 H15 N O 1085 C8 H17 N O 1087 C20 H23 N O6 1102 C6 H11 N O3 1104 C5 H11 N O 1105 C7 H9 N O 1106 C7 H9 N O 1129 C7 H7 N O2 1131 C12 H15 N O2 1134 C11 H13 N O5 1138 C15 H23 N O6 1139 C15 H27 N O2 1141 C16 H14 N O21 1144 C17 H22 N O 1146 C18 H29 N O2 1152 C23 H42 Cl N2 1156 C24 H47 N O 1160 C30 H59 N S2 1161 C35 H52 N S2 1163 C40 H33 N15 O S3 1167 C48 H20 Cl N7 O 1170 C8 H2 N O6 S 1172 C12 H15 Cl O3 1177 C11 H13 N O4 1182 C14 H19 N O5 1185 C11 H17 N O4 1188 C9 H13 N O3 1189 C3 H7 N O2 1190 C8 H15 N O2 1191 C8 H15 N O2 1195 C12 H17 N O4 1200 C7 H13 N O 1201 C7 H13 N O 1202 C10 H19 N O2 1203 C27 H43 N O3 1205 C10 H20 N O4 1206 C9 H15 N O3 1207 C24 H41 N O3 1208 C21 H42 N O7 P 1209 C43 H70 N O8 P 1210 C42 H70 N O8 P 1211 C23 H46 N O8 P 1213 C9 H13 N O2 1214 C44 H74 N O9 P 1217 C17 H21 N O5 1219 C8 H13 N O 1222 C6 H15 N O3 1229 C13 H19 N O3 1231 C9 H17 N O3 1232 C9 H17 N O3 1233 C4 H9 N O2 1234 C10 H13 N O2 1239 C18 H31 N O4 1250 C10 H17 N O4 1253 C7 H14 N O3 1254 C15 H13 F O3 1255 C18 H36 N O4 1268 C9 H9 N O2 1280 C6 H13 N O2 1281 C7 H11 N O5 1282 C7 H16 N O4 1287 C10 H21 Cl N2 O 1288 C10 H4 Cl N3 O S4 1291 C11 H23 N O4 1293 C15 N O17 S3 1296 C18 H Cl2 N O3 S2 1299 C22 H28 N S5 1309 C28 H51 Cl N5 O2 1311 C29 H42 N O3 1319 C41 H29 N22 O S2 1324 C5 H7 N O 1327 C57 H67 N O10 1328 C6 H16 N O4 1330 C9 H21 N O7 1331 C10 H19 N O3 1332 C24 H41 N O4 1346 C7 H9 N O2 1349 C14 H29 N O 1350 C14 H19 N O5 1355 C9 H7 N O 1359 C11 H15 N O4 1360 C9 H13 N O3 1362 C10 H13 N O3 1367 C15 H21 N O4 1371 C7 H13 N O3 S 1372 C7 H13 N O3 1374 C17 H21 N O3 1375 C9 H15 N O3 1380 C9 H15 N O2 1383 C17 H19 N O4 1387 C10 H20 N O4 1388 C25 H50 N O9 P 1390 C21 H39 N O7 1406 C12 H19 N O4 1421 C11 H15 N O2 1430 C6 H11 N O3 1431 C10 H17 N O4 1434 C10 H13 N O 1435 C7 H15 N O2 1440 C7 H14 N O3 1443 C13 H19 N O3 1450 C9 H7 N O2 1451 C5 H11 N O2 1468 C12 H17 N O3 1476 C13 H13 N O3 1484 C17 H22 N O2 1491 C19 H20 N O2 1497 C23 H49 N S2 1501 C25 H15 Cl N11 O 1504 C25 H50 Cl N6 1508 C30 H58 Cl N3 O2 1515 C40 H79 N O4 1520 C57 H67 N S2 1526 C9 H19 N O4 1537 C11 H17 N O4 1540 C15 H21 N O6 1543 C11 H15 N O4 1544 C9 H11 N O4 1547 C13 H25 N O4 1548 C20 H37 N O2 1550 C26 H43 N O4 1551 C5 H11 N O3 1554 C8 H7 N O 1557 C11 H13 N O4 1562 C8 H9 N O2 1564 C9 H11 N O3 1565 C9 H11 N O3 1566 C17 H21 N O3 1567 C18 H35 N O3 1568 C21 H39 N O3 1570 C8 H9 N O3 1572 C21 H42 N O7 P 1573 C43 H68 N O8 P 1579 C16 H23 N O3 1580 C16 H33 N O3 1581 C43 H76 N O10 P 1586 C26 H45 N O7 S 1596 C18 H37 N O3 1597 C9 H17 N O3 1599 C10 H13 N O2 1608 C18 H33 N O4 1615 C18 H37 N O2 1623 C7 H13 N O2 1624 C7 H13 N O2 1625 C8 H15 N O4 1626 C6 H13 N O4 S 1641 C5 H9 N O2 1643 C7 H14 N O3 1653 C9 H9 N O2 1661 C8 H11 N O3 1663 C12 H23 N O10 1665 C11 H11 N O4 1676 C20 H29 Cl O3 1679 C4 H7 N O 1682 C19 H23 N O5 1683 C19 H23 N O5 1689 C7 H7 N O2 1690 C8 H13 N O2 1692 C33 H35 F N2 O5 1694 C6 H15 N O2 1701 C11 H19 N O2 1707 C13 H16 Cl3 N6 O S2 1709 C13 H19 N O5 1727 C22 H47 N O12 1730 C24 H2 N O23 1734 C24 H51 N O13 1737 C26 H6 N O24 1738 C27 H51 N O S 1741 C28 H24 Cl N8 1742 C28 H34 N O6 S4 1751 C36 H71 N O6 S2 1755 C40 H16 Cl N10 1761 C44 H32 Cl N19 O 1766 C6 H3 N O3 1769 C18 H21 N O6 1773 C35 H71 N O4 1774 C49 H71 N O12 1777 C26 H41 N O7 1778 C19 H19 F N2 O 1787 C13 H18 Cl N O2 1789 C13 H19 N O2 1794 C12 H21 N O2 1795 C13 H20 Cl N O 1796 C20 H21 F N2 O 1799 C14 H17 Cl2 N O2 1800 C17 H16 F3 N O2 1812 C16 H21 N O3 1813 C11 H17 N O4 1818 C6 H11 N O3 1821 C24 H23 N O2 1822 C59 H109 N O21 1823 C9 H13 N O3 1825 C8 H15 N O2 1830 C20 H24 N2 O S 1834 C12 H17 N O4 1836 C13 H18 Cl N O 1838 C12 H17 N O 1840 C27 H21 Cl N2 O3 1841 C9 H11 N O3 1842 C9 H11 N O3 1848 C8 H9 N O3 1849 C43 H70 N O8 P 1850 C23 H50 N O6 P 1852 C34 H72 N O6 P 1853 C9 H13 N O5 S 1856 C9 H13 N O2 1857 C9 H13 N O2 1861 C16 H17 N O3 1864 C25 H50 N O9 P 1865 C47 H80 N O10 P 1871 C14 H21 N O2 1872 C14 H21 N O2 1886 C24 H27 N O8 S2 1887 C15 H19 N O2 1888 C8 H13 N O 1890 C11 H15 N O 1895 C5 H9 N O 1896 C5 H9 N O 1899 C18 H21 F O 1901 C17 H19 N O4 1904 C10 H13 N O2 1910 C28 H45 Cl O3 1920 C24 H39 N O4 1925 C7 H13 N O2 1929 C6 H13 N O4 S 1930 C11 H15 N O2 1935 C10 H17 N O4 1943 C5 H5 N O 1953 C7 H14 N O3 1959 C9 H11 N O 1966 C9 H13 N O2 1967 C5 H11 N O2 1968 C7 H7 N O2 1977 C9 H9 N O2 1978 C8 H11 N O3 1979 C9 H7 N O3 1981 C10 H9 N O3 1988 C11 H11 N O4 1991 C16 H19 N O4 2002 C17 H19 N O5 2004 C13 H21 N O2 2005 C13 H17 N O4 2006 C13 H17 N O4 2007 C13 H17 N O4 2008 C9 H9 Br2 N O3 2014 C16 H15 N O4 2019 C10 H9 F O3 2020 C36 H63 N O5 2025 C17 H17 N O4 2029 C18 H15 N O2 2032 C10 H23 Cl N O4 2033 C10 H23 Cl N2 2037 C11 H22 O S 2039 C12 H23 N O S 2042 C14 H28 Cl N3 2043 C14 H30 O S2 2049 C17 H21 Cl N4 2050 C17 H21 Cl N4 2052 C17 H37 N O2 2056 C18 H41 Cl N3 O2 S 2058 C18 N O19 S 2059 C19 H22 N S 2066 C20 H42 N13 O S 2069 C21 N O21 S 2070 C22 H25 Cl N4 O19 S 2075 C25 H47 N O4 2083 C30 H59 N O3 S2 2087 C32 H67 N O17 2099 C38 H75 N O4 2102 C39 H47 N O7 2103 C39 H63 Cl S4 2104 C40 H54 N O3 S 2112 C7 H5 O S2 2116 C9 H21 N O7 2119 C34 H69 N O4 2122 C12 H17 N O2 2124 C21 H40 N O4 2127 C8 H17 N O 2129 C14 H9 N O3 2132 C17 H27 N O3 2139 C18 H17 F N2 O 2147 C11 H13 N O4 2148 C12 H25 N O 2153 C10 H13 N O4 2155 C27 H41 N O5 S 2156 C13 H20 Cl N O 2159 C7 H11 N O2 2160 C11 H21 N O3 2162 C21 H35 N O 2164 C7 H9 N O2 2165 C7 H9 N O2 2177 C11 H17 N O4 2184 C11 H15 N O4 2186 C21 H27 N O4 2188 C17 H25 N O3 2189 C10 H13 N O3 2190 C10 H13 N O3 2192 C13 H17 N O3 2193 C16 H17 N O4 2196 C6 H7 N O 2199 C15 H21 N O4 2200 C10 H15 N O3 2202 C11 H13 N O3 2205 C13 H25 N O5 2207 C11 H13 N O3 2208 C8 H15 N O5 2209 C7 H11 N O5 2211 C10 H9 N O 2212 C9 H11 N O3 2213 C16 H19 N O5 2214 C20 H39 N O2 2215 C17 H31 N O3 2216 C8 H17 N O2 2217 C13 H26 N O4 2218 C13 H26 N O4 2220 C20 H39 N O 2225 C16 H33 N O 2226 C19 H39 N O 2227 C42 H74 N O8 P 2228 C43 H70 N O8 P 2229 C23 H46 N O8 P 2234 C11 H15 N O3 2237 C22 H29 N O8 2241 C6 H11 N O2 S 2244 C44 H69 N O12 2245 C24 H39 N O5 2250 C30 H41 F O7 2251 C9 H18 N3 O P 2252 C8 H15 N O 2253 C8 H13 N O 2256 C26 H45 N O7 2261 C22 H33 N O2 2264 C21 H21 F N2 O 2266 C21 H32 F N O4 2270 C17 H27 N O3 2279 C29 H51 N O7 S 2282 C18 H33 N O2 2283 C19 H37 N O2 2284 C9 H17 N O3 2286 C4 H9 N O2 2287 C12 H11 N O3 2294 C19 H23 N O2 2303 C27 H29 N O11 2327 C27 H35 Cl O9 2348 C16 H31 F O2 2353 C29 H43 N O4 2358 C7 H17 N O2 2359 C7 H13 N O2 2360 C6 H7 F O2 2362 C12 H15 N O 2363 C12 H15 N O 2366 C10 H9 N O4 2370 C6 H13 N O4 S 2383 C20 H43 N O 2384 C4 H11 N O 2386 C9 H11 N O2 2397 C5 H11 N O 2398 C13 H13 N O2 2399 C18 H21 N O5 2404 C6 H7 N O4 S 2405 C7 H9 N O 2406 C7 H15 N O2 2409 C10 H9 N O5 2410 C10 H9 N O5 2430 C27 H45 N O 2439 C10 H9 N O2 2440 C12 H13 N O2 2442 C13 H19 N O3 2448 C33 H32 Mg N4 O3 2450 C13 H19 N O4 2469 C6 H7 N O3 S 2472 C9 H7 N O2 2476 C9 H13 N O2 2477 C6 H9 N O S 2478 C5 H11 N O2 2491 C7 H13 N O3 2494 C8 H11 N O3 2496 C10 H16 N6 O S 2497 C6 H13 N O S 2500 C15 H15 N O2 2507 C26 H47 Br O2 2508 C26 H47 Br O2 2545 C9 H19 N O2 2546 C18 H33 N O4 2547 C17 H19 N O5 2551 C11 H17 N O2 2552 C12 H23 N O9 2553 C8 H15 N O3 2555 C13 H17 N O4 2557 C15 H17 N O2 2562 C16 H29 N O2 2563 C16 H29 N O2 2565 C16 H25 N O 2566 C23 H29 N O6 2568 C6 H13 N O2 2569 C14 H27 N O6 2570 C14 H27 N O6 2574 C22 H41 N O2 2576 C12 H17 N O3 2577 C32 H43 Cl N2 O9 2595 C17 H17 N O4 2600 C36 H51 N O11 2612 C10 H18 N2 O S 2615 C11 H15 N2 O S 2624 C12 H26 N2 O S 2629 C13 H23 N3 O S 2638 C14 H26 Cl O4 2650 C15 H8 Cl N3 O 2656 C16 H35 N S2 2662 C17 H35 Cl N2 O2 2666 C17 N O18 S2 2667 C18 H O19 S2 2674 C19 H15 Cl N6 O4 S2 2675 C19 H16 N O S 2679 C19 H41 N O4 2692 C21 H47 Cl N8 S 2693 C21 H48 Cl2 N6 O S 2696 C22 H12 N O S2 2699 C22 H46 Cl N9 O 2702 C22 N O19 S 2708 C23 H43 N S 2713 C24 H N3 O18 S 2718 C24 H38 O S 2727 C25 H49 Cl N O7 2729 C25 H49 O S 2745 C26 H54 N O10 S3 2771 C3 Cl N O3 S3 2773 C30 H51 N O12 2775 C30 H58 Cl O15 S4 2784 C33 H43 Cl N6 O3 2786 C33 H55 N O S 2788 C34 H50 O S 2791 C36 H35 O S4 2793 C36 H4 N O18 2794 C37 H30 Cl N5 O 2795 C37 H34 N O 2806 C4 H9 Cl O3 S3 2807 C40 H Cl N4 O 2808 C40 H44 Cl N S3 2809 C40 H46 N O4 S 2812 C40 H80 Cl N6 O2 2813 C40 H81 N4 O S2 2819 C42 H83 N O4 2823 C46 H67 N15 O S 2824 C47 H71 Cl O13 2826 C48 H83 N O14 S2 2827 C49 H95 N O2 S2 2828 C5 H12 N2 O S 2836 C6 H4 O S 2837 C6 H9 N S 2841 C7 H17 Cl N O4 2842 C7 H17 Cl N O4 2848 C8 H2 Cl2 N S2 2850 C8 H22 Cl N6 2851 C8 H9 N O5 S 2853 C9 H10 Cl N 2854 C9 H11 N O2 S 2855 C9 H11 N O3 S 2864 C18 H19 N O6 2866 C10 H19 N O3 2872 C8 H15 N O4 2873 C18 H21 N O6 2879 C36 H69 N O3 2880 C38 H73 N O3 2886 C12 H17 N O2 2890 C17 H23 N O4 2891 C16 H21 N O5 2894 C35 H43 Cl N2 O8 2898 C20 H29 N O 2901 C50 H83 N O20 2904 C20 H23 N O5 2905 C16 H22 Cl N3 2906 C21 H26 F N3 O6 S 2907 C29 H33 N O10 2914 C6 H13 N O6 2922 C22 H19 N O6 2929 C16 H29 N O 2933 C14 H19 N O8 2934 C14 H19 N O8 2935 C19 H21 N O 2940 C10 H13 N O4 2943 C11 H13 N O2 2944 C9 H13 N O2 2948 C11 H21 N O3 2952 C19 H25 N O2 2954 C6 H13 N O3 2962 C24 H25 N O4 2963 C16 H15 F O2 2969 C36 H61 N O16 2977 C21 H23 N O6 2991 C8 H15 N O3 2997 C16 H21 N O3 2998 C13 H20 Cl N O2 2999 C11 H17 N O4 3000 C11 H17 N O4 3005 C9 H7 N O 3006 C18 H24 Cl N3 O 3009 C15 H24 N O4 P S 3013 C36 H45 Br N4 O6 3015 C22 H35 N O4 3017 C13 H16 Cl N O 3019 C11 H15 N O4 3022 C8 H15 N O2 3032 C9 H17 N O4 3034 C10 H13 N O3 3035 C18 H33 N O 3036 C18 H33 N O 3039 C13 H17 N O3 3052 C7 H17 N O5 3057 C11 H17 N O3 3063 C15 H21 N O4 3066 C13 H21 N O4 3067 C13 H21 N O4 3068 C5 H11 N O2 S 3072 C12 H17 N O4 3073 C12 H17 N O4 3075 C9 H9 N O3 S 3076 C5 H6 N2 O S 3077 C14 H22 Cl N3 O2 3081 C26 H33 N O5 3082 C26 H33 N O5 3085 C16 H23 N O6 3094 C23 H31 N O7 3095 C9 H7 Cl2 N O3 3097 C8 H13 N O4 3099 C14 H19 N O4 3100 C14 H19 N O4 3101 C12 H17 N O 3103 C15 H23 N O2 3104 C15 H23 N O2 3111 C8 H7 N O2 3112 C5 H9 N O4 3113 C19 H23 N O4 3116 C8 H9 N O 3117 C10 H11 N O4 3119 C7 H13 N O 3120 C15 H11 Cl N2 O2 3121 C22 H25 N O7 3122 C17 H19 N O 3124 C27 H21 Cl N2 O3 3125 C27 H21 Cl N2 O3 3129 C11 H19 N O3 3130 C9 H11 N O3 3131 C9 H11 N O3 3132 C9 H11 N O3 3137 C7 H13 N O3 3138 C7 H13 N O3 3139 C10 H19 N O 3141 C9 H13 N O 3142 C3 H10 N O3 P 3144 C13 H23 N O3 3148 C18 H23 N O8 3149 C16 H17 N O4 3150 C16 H17 N O4 3151 C25 H41 N O3 3152 C15 H27 N O3 3154 C6 H11 N O4 3155 C6 H11 N O4 3158 C16 H25 N O2 3178 C22 H33 N O2 3180 C22 H42 N O7 P 3181 C23 H46 N O7 P 3182 C24 H50 N O7 P 3183 C39 H74 N O7 P 3195 C20 H27 N O5 3203 C17 H21 N O 3205 C11 H17 N O2 3206 C9 H13 N O2 3212 C28 H47 N O8 3213 C28 H47 N O8 3217 C15 H17 N O3 3227 C11 H17 N O6 3230 C20 H24 N2 O S 3231 C11 H15 N O3 3232 C11 H15 N O3 3233 C17 H33 N O2 3234 C16 H33 N O3 3237 C8 H18 N2 O S 3238 C44 H74 N O9 P 3241 C10 H17 N O5 3243 C12 H9 Cl2 N O2 3248 C37 H47 N O12 3252 C18 H27 N O6 3253 C19 H31 N O2 3256 C17 H21 N O4 3257 C17 H21 N O5 3264 C16 H25 N O4 3265 C16 H25 N O3 3268 C22 H31 N O3 3271 C23 H26 F N3 O2 3272 C18 H39 N O 3278 C11 H17 N O 3279 C11 H21 N O 3281 C10 H15 N O3 3282 C17 H27 N O2 3293 C19 H17 N O S 3300 C9 H11 N O2 3305 C12 H21 Cl O2 3307 C24 H27 N O8 S2 3308 C4 H11 N O3 3312 C16 H29 N O3 3313 C10 H17 N O3 3318 C8 H11 N O4 S 3338 C8 H17 N O 3339 C14 H21 N O 3342 C17 H27 N O3 3351 C29 H51 N O7 S 3353 C18 H37 N O3 3354 C5 H7 N O3 3362 C10 H13 N O2 3388 C18 H33 N O4 3415 C27 H37 Cl O9 3416 C27 H37 Cl O9 3443 C21 H27 F O4 3456 C7 H13 N O2 3457 C7 H13 N O2 3461 C12 H15 N O 3466 C10 H9 N O4 3467 C10 H9 N O4 3468 C14 H25 N O11 3472 C4 H9 N O 3474 C13 H19 N O2 3475 C11 H15 N O2 3506 C7 H13 N O5 3507 C5 H13 N O 3509 C9 H11 N O2 3510 C9 H11 N O2 3512 C14 H29 N O2 3513 C14 H29 N O2 3515 C10 H5 Cl O2 3517 C8 H17 N O5 3518 C7 H11 N O3 3519 C19 H19 Cl N2 O 3524 C5 H11 N O 3529 C7 H15 N O2 3567 C7 H7 N O3 3571 C18 H19 N O5 3574 C12 H24 N O5 3579 C14 H23 N O3 3580 C13 H19 N O3 3584 C11 H13 N O 3585 C11 H13 N O 3615 C13 H19 Cl N2 O7 S2 3619 C9 H7 N O2 3620 C9 H7 N O2 3621 C9 H7 N O2 3623 C26 H33 N O2 3624 C5 H11 N O2 3626 C16 H13 N O4 3627 C18 H21 N O4 3628 C7 H7 N O2 3630 C9 H9 N O2 3631 C9 H9 N O2 3661 C7 H13 N O3 3662 C10 H12 F N5 O3 3663 C9 H9 N O2 3664 C9 H9 N O2 3666 C8 H11 N O3 3671 C12 H23 N O10 3685 C23 H31 F O4 3688 C26 H47 Br O2 3690 C20 H15 N O6 3707 C11 H21 N O4 S 3716 C13 H19 N O4 3728 C9 H19 N O2 3729 C9 H19 N O2 3731 C17 H19 N O5 3732 C17 H19 N O5 3735 C4 H7 N O 3738 C10 H17 N O2 3739 C3 H5 N O 3741 C26 H36 F N O3 3743 C6 H11 N O4 3747 C6 H13 N O2 3750 C22 H43 N O2 3751 C12 H17 N O3 3752 C12 H17 N O3 3753 C12 H17 N O3 3754 C17 H35 N O2 3755 C17 H35 N O2 3758 C16 H15 N O4 3760 C7 H11 N O2 3770 C32 H44 N O8 3771 C17 H23 N O3 3775 C16 H25 N S 3776 C16 H25 N S 3781 C12 H15 N O2 3799 C16 H18 N2 O S 3800 C16 H18 N2 O S 3801 C10 Cl N O9 S5 3804 C10 H19 N O S 3805 C10 H19 N O2 S5 3807 C10 H22 N7 O S 3808 C10 H24 Cl N3 O2 S 3809 C10 H24 N4 O S 3824 C12 H25 Cl N2 3826 C12 H27 Cl N S2 3827 C12 H28 N O2 S 3828 C13 H N2 O2 S4 3831 C13 H19 Cl N10 3838 C14 H29 N O3 3842 C14 H31 Cl N2 3844 C15 H17 Cl N 3845 C15 H23 N O9 3849 C15 H30 Cl N3 O 3855 C16 H23 Cl N O 3857 C16 H29 O S 3862 C16 H42 Cl N9 3865 C17 H27 Cl N2 O3 S 3871 C17 H42 Cl N15 3874 C17 H45 Cl N9 S2 3878 C19 H N3 O17 S2 3880 C19 H2 N O22 S 3881 C19 H2 N O22 S 3882 C19 H3 N O22 S 3883 C19 H40 Cl N4 O2 3884 C19 H41 Cl N O5 3886 C20 H N O18 S2 3887 C20 H26 Cl O S 3888 C20 H28 N O2 3896 C20 H50 N9 O S 3898 C21 H N3 O3 3901 C21 H41 Cl N4 O6 3903 C21 H48 Cl N5 O5 3904 C21 H49 Cl N7 O4 3905 C21 H51 Cl N12 S4 3906 C21 H8 Cl N2 O6 3930 C24 H26 N O11 3931 C24 H3 N O23 3935 C24 H37 N2 O S 3941 C25 H39 Cl N3 3956 C26 H50 Cl N3 O2 3959 C27 H39 N21 O S5 3971 C29 H36 Cl3 N O4 3975 C3 Cl N O3 S3 3976 C3 H4 N O 3977 C3 H4 N O 3979 C3 H6 N O5 3980 C3 H6 N O5 3985 C31 H48 N O3 3987 C31 H54 Cl2 N O8 3989 C32 H34 Cl N14 O4 3996 C33 H38 N S 3997 C33 H38 N S 4006 C34 H57 N O11 4013 C35 H53 N O2 S2 4016 C36 H25 N2 O S3 4019 C36 H63 Cl N2 4020 C36 H71 N O4 4023 C37 H27 N15 O S2 4028 C38 H28 Cl N5 O3 S 4036 C39 H27 N8 O S2 4045 C40 H45 Cl N3 S 4054 C42 H81 N O4 4057 C44 H61 N O8 4063 C45 H94 N O 4070 C47 H98 N O2 4073 C48 H94 Cl N3 O2 4075 C48 H95 N O6 4078 C5 Cl3 N O S 4079 C5 H13 O S 4082 C50 H98 Cl N3 O2 4088 C56 H89 N O 4090 C6 H16 N S 4092 C6 H4 O S 4096 C7 H15 Cl N3 S3 4104 C8 H11 Cl O4 S2 4106 C8 H18 N4 O S 4107 C8 H21 Cl N8 O2 4114 C9 H7 Cl N4 O 4118 C18 H29 N O3 4121 C12 H15 N O3 4128 C8 H15 N O4 4133 C19 H35 N O4 4135 C26 H34 F N O5 4138 C11 H10 Cl N O2 4139 C10 H13 Cl N2 S 4140 C12 H17 N O2 4144 C17 H18 F N3 O3 4147 C19 H18 Br N3 O4 4148 C45 H52 Co N4 O16 4149 C18 H21 N O3 4152 C8 H17 N O 4153 C16 H21 N O5 4154 C16 H21 N O5 4156 C20 H19 N O6 4157 C17 H27 N O 4159 C15 H14 N O2 P S 4169 C6 H9 N O2 4175 C10 H21 N O 4178 C26 H41 N O7 4181 C10 H9 N O3 4184 C9 H19 N O4 4193 C14 H21 N O4 4200 C28 H49 N O8 4204 C9 H9 N O5 4206 C15 H21 N O S 4208 C13 H18 Cl N O2 4212 C21 H27 N O 4214 C15 H16 F5 N O2 S2 4215 C55 H70 Mg N4 O5 4217 C5 H11 N O3 S 4222 C8 H9 N O2 4225 C25 H48 N O4 4230 C10 H13 N O 4234 C17 H19 N O3 4236 C7 H15 N O S 4238 C11 H21 N O3 4242 C16 H19 N O3 4244 C14 H21 N O 4245 C6 H13 N O3 4246 C6 H13 N O3 4247 C6 H13 N O3 4251 C13 H19 N O3 S 4258 C19 H14 F3 N O 4259 C17 H16 F3 N O2 4260 C17 H16 F3 N O2 4266 C16 H23 N O5 4277 C7 H9 N O2 4278 C7 H9 N O2 4279 C9 H17 N O2 4280 C9 H17 N O2 4281 C17 H21 N O3 4300 C14 H29 N O 4302 C14 H19 N O5 4306 C8 H15 N O3 4309 C9 H9 N O3 4310 C9 H9 N O3 4318 C4 H9 N O4 S 4322 C18 H26 Cl N3 O 4324 C13 H19 Cl N2 O3 4329 C14 H17 N O6 4333 C11 H9 N O2 4338 C6 H11 N O3 4349 C24 H23 N O2 4350 C23 H21 N O2 4351 C22 H25 N O 4357 C11 H15 N O4 4359 C9 H13 N O3 4360 C9 H13 N O3 4361 C9 H13 N O3 4365 C9 H11 N O4 4366 C8 H15 N O2 4367 C8 H15 N O2 4374 C9 H17 N O4 4376 C10 H13 N O3 4378 C20 H37 N O2 4382 C5 H11 N O3 4383 C13 H17 N O3 4397 C22 H45 N O7 P 4399 C26 H40 Cl N O6 4406 C15 H21 N O2 4407 C17 H19 N O2 4408 C17 H25 N O2 4409 C11 H17 N O3 4410 C11 H17 N O3 4419 C8 H18 N O2 4420 C11 H15 N O5 4421 C11 H15 N O5 4429 C17 H25 N O2 4430 C16 H27 N O2 4438 C27 H34 Cl N O2 S 4440 C16 H23 N O6 4441 C16 H23 N O6 4446 C13 H25 N O5 4449 C14 H19 N O4 4450 C5 H9 N O4 4451 C9 H11 N O4 4452 C15 H23 N O2 4460 C12 H21 N O9 4463 C12 H15 N O5 4464 C29 H31 N O2 4466 C8 H11 N O2 4467 C8 H11 N O2 4468 C12 H22 N O2 4469 C18 H31 N O3 4471 C14 H13 N O3 4481 C11 H19 N O3 4483 C9 H11 N O3 4484 C9 H11 N O3 4485 C9 H11 N O3 4486 C9 H11 N O3 4493 C13 H23 N O3 4495 C24 H45 N O3 4496 C17 H21 N O3 4497 C17 H21 N O3 4498 C17 H21 N O3 4499 C17 H21 N O3 4501 C19 H37 N O3 4503 C20 H39 N O4 4505 C22 H43 N O3 4508 C13 H21 N2 O7 P S 4527 C21 H42 N O7 P 4528 C43 H70 N O8 P 4529 C25 H42 N O7 P 4530 C40 H68 N O8 P 4531 C40 H68 N O8 P 4532 C43 H68 N O8 P 4533 C45 H70 N O8 P 4534 C23 H46 N O8 P 4536 C10 H21 N O2 S 4537 C8 Br F17 4552 C14 H19 N O7 S 4553 C9 H13 N O 4554 C16 H21 N O4 4567 C28 H47 N O8 4574 C23 H24 F N3 O2 4586 C16 H23 N O3 4587 C11 H15 N O3 4588 C11 H15 N O3 4589 C11 H15 N O3 4590 C7 H10 N2 O S 4592 C24 H48 N O9 P 4593 C24 H48 N O9 P 4594 C25 H50 N O9 P 4595 C25 H50 N O9 P 4596 C44 H76 N O10 P 4597 C26 H42 N O9 P 4598 C28 H52 N O9 P 4599 C22 H44 N O8 P 4600 C44 H74 N O9 P 4601 C10 H15 N O 4612 C8 H13 N O2 4614 C15 H25 N O5 4621 C6 H11 N O3 S 4623 C18 H27 N O5 4624 C17 H16 F N5 4630 C16 H25 N O3 4631 C17 H26 Cl N 4632 C22 H31 N O3 4633 C22 H31 N O3 4635 C14 H21 N O2 4636 C13 H23 N O9 4639 C9 H18 N O4 4641 C22 H27 F N4 O2 4642 C11 H11 N O3 4644 C44 H69 N O12 4645 C44 H69 N O12 4646 C26 H45 N O7 S 4647 C21 H42 N O4 4671 C16 H23 N O 4674 C18 H25 N O5 4675 C8 H7 N O5 4676 C9 H11 N O2 4681 C9 H18 N3 O P 4682 C9 H18 N3 O P 4687 C19 H33 N O4 4688 C10 H17 N O3 4689 C46 H77 N O17 4706 C13 H23 N O3 4711 C14 H31 N O Warning: The "Compound Name" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "name". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG ID" column at position 10 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "kegg_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "HMP ID" column at position 15 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "hmdb_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "LMP ID" column at position 16 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "lm_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "CAS Number" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "cas_number". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "ChEBI ID" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "chebi_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Retention Time" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_time". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Ionization mode" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "ionization_mode". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "ChEBI ID" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "HMP ID" column at position 15 in the ["MS_METABOLITE_DATA"]["Metabolites"] table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.