Validation Log 2025-12-15 03:30:18.316507 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN007250/mwtab/txt Study ID: ST004341 Analysis ID: AN007250 File format: txt Status: Contains Validation Issues Number of Issues: 11 Number of Warnings: 11 Number of Value Errors: 11 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: Warning: The "MS1 Composite Spectrum" column at position 14 in the 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 6 in the 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 C21 H47 N O3 P S 1 C21 H47 N O3 P S 2 C5 H11 N O 5 C10 H10 Cl N O2 9 C10 H8 F3 N O3 10 C10 H8 F3 N O3 11 C17 H25 N O4 12 C6 H9 N O6 18 C15 H19 N O3 20 C23 H25 F3 N2 O S 22 C18 H33 N O15 31 C20 H23 N O2 39 C22 H31 Cl O8 51 C14 H19 N O7 58 C18 H15 O P 59 C6 H9 N O3 63 C13 H27 N O 75 C24 H39 N O5 76 C24 H33 F2 N O4 94 C10 H11 N O4 S2 96 C18 H39 N O 97 C20 H39 N O6 98 C20 H39 N O6 103 C21 H16 Cl F3 N4 O3 109 C3 H7 N O2 Se 127 C35 H41 N O11 131 C18 H11 N O2 152 C8 H15 N O2 S 158 C53 H85 N O19 163 C25 H30 N O6 S 173 C8 H8 Hg O2 179 C9 H13 Cl N O3 P 180 C9 H13 Cl N O3 P 187 C19 H21 Cl O8 189 C34 H68 N O9 P 190 C47 H80 N O10 P 191 C50 H98 N O10 P 192 C42 H66 N O10 P 198 C22 H39 N O5 208 C42 H80 N O8 P 209 C42 H80 N O8 P 212 C45 H80 N O7 P 213 C24 H48 N O6 P 214 C24 H48 N O6 P 215 C46 H80 N O8 P 216 C46 H82 N O8 P 217 C43 H80 N O8 P 218 C49 H96 N O8 P 219 C25 H46 N O7 P 220 C38 H72 N O8 P 221 C40 H78 N O8 P 222 C46 H86 N O8 P 223 C44 H78 N O8 P 224 C44 H82 N O8 P 225 C44 H84 N O8 P 226 C44 H84 N O8 P 227 C42 H76 N O8 P 228 C36 H68 N O8 P 229 C39 H76 N O8 P 230 C44 H86 N O8 P 231 C42 H82 N O8 P 232 C31 H62 N O8 P 233 C35 H68 N O8 P 235 C26 H53 N O6 P 236 C43 H83 N O7 P 237 C25 H53 N O6 P 238 C48 H95 N O7 P 239 C26 H55 N O6 P 240 C24 H51 N O6 P 241 C24 H53 N O6 P 242 C21 H47 N O6 P 243 C20 H45 N O6 P 244 C31 H63 N O8 P 245 C23 H47 N O8 P 246 C21 H43 N O8 P 247 C23 H49 N O7 P 248 C12 H25 N O8 P 249 C54 H109 N O8 P 250 C48 H83 N O8 P 251 C48 H83 N O8 P 252 C48 H83 N O8 P 253 C48 H85 N O8 P 254 C46 H81 N O8 P 255 C46 H83 N O8 P 256 C46 H83 N O8 P 257 C46 H83 N O8 P 258 C44 H79 N O8 P 259 C46 H85 N O8 P 260 C46 H85 N O8 P 261 C45 H81 N O8 P 262 C45 H81 N O8 P 263 C45 H81 N O8 P 264 C44 H81 N O8 P 265 C42 H77 N O8 P 266 C30 H55 N O7 P 267 C42 H81 N O8 P 268 C49 H97 N O8 P 269 C48 H95 N O8 P 270 C46 H91 N O8 P 271 C44 H87 N O8 P 272 C42 H83 N O8 P 273 C42 H83 N O8 P 274 C28 H53 N O7 P 275 C44 H83 N O8 P 276 C26 H47 N O7 P 277 C44 H85 N O8 P 278 C26 H51 N O8 P 279 C25 H53 N O7 P 280 C25 H53 N O7 P 281 C23 H47 N O7 P 282 C21 H45 N O7 P 295 C20 H39 N O2 298 C20 H15 N O4 304 C17 H29 N O11 308 C19 H23 N O4 309 C19 H23 N O4 312 C8 H14 N O8 P 314 C23 H45 N O3 315 C23 H43 N O5 316 C21 H41 N O3 317 C20 H39 N O4 318 C19 H37 N O4 327 C20 H39 N O 332 C20 H35 N O16 337 C23 H47 N O2 339 C15 H21 N O7 340 C12 H23 N O7 344 C11 H21 N O4 348 C29 H47 N O7 354 C13 H21 Cl N2 355 C13 H21 Cl N2 358 C11 H11 N O3 361 C9 H11 N O3 369 C15 H19 Br N2 O5 370 C15 H19 Br N2 O5 376 C26 H42 Cl N O4 377 C35 H34 Mg N4 O4 382 C29 H58 N O7 P 383 C27 H46 N O7 P 384 C30 H51 N O7 P 385 C28 H51 N O7 P 395 C25 H41 N O7 409 C4 H7 N O2 421 C36 H45 Br N4 O6 422 C27 H39 Cl N2 O4 424 C12 H13 N O2 427 C27 H39 N O7 430 C14 H12 Br N O2 443 C25 H29 N O8 452 C16 H29 N O 453 C16 H29 N O 454 C16 H29 N O 455 C16 H29 N O 477 C40 H77 N O8 479 C12 H21 N O10 S2 491 C44 H81 N O8 492 C42 H79 N O9 493 C40 H77 N O8 495 C8 H7 N O2 507 C72 H131 N O28 508 C80 H145 N O33 511 C20 H37 Gd N5 O10 516 C30 H46 N O7 P 520 C19 H20 F N3 522 C10 H13 F N5 O7 P 544 C24 H29 N O3 546 C19 H38 N O4 547 C22 H45 N O 560 C24 H31 N O9 561 C8 H17 N S2 563 C15 H31 N S2 571 C19 H19 F N2 O 572 C27 H41 N O8 574 C24 H39 N O7 575 C19 H26 N O3 587 C11 H23 N2 O7 P S 588 C6 H11 N O4 590 C3 H10 N O4 P 592 C3 H7 N O5 S 597 C15 H14 N O2 P S 599 C23 H35 N O S 601 C12 H12 N O3 604 C45 H57 Co N4 O16 606 C17 H13 Cl F N O4 607 C22 H26 N O3 616 C18 H18 Cl N S 617 C10 H13 Cl N2 O3 S 618 C17 H19 Cl N2 O2 S 619 C40 H81 N O4 620 C40 H81 N O4 621 C40 H81 N O3 622 C40 H81 N O3 623 C42 H81 N O3 624 C42 H81 N O3 625 C36 H67 N O3 626 C40 H79 N O4 627 C32 H61 N O3 628 C32 H61 N O4 631 C7 H16 N O3 633 C42 H67 N O16 640 C42 H81 N O12 S 644 C16 H13 Br O2 645 C32 H40 Br N5 O5 646 C15 H12 Br N O3 653 C19 H16 N O4 654 C15 H14 Cl N3 O4 S3 656 C27 H42 N O2 681 C20 H35 N O2 682 C9 H16 O S 697 C26 H36 F N O3 699 C42 H58 N O 703 C13 H9 N O 704 C10 H19 Br O2 711 C20 H26 N O3 712 C16 H13 Cl O5 715 C7 H4 Cl N S 716 C15 H29 N O9 S3 721 C21 H21 Cl O8 727 C8 H7 N O 728 C22 H22 F N3 O4 733 C21 H36 N O18 P 743 C9 H12 F N2 O9 P 744 C9 H11 F N2 O5 746 C7 H9 N O S 760 C8 H7 F O2 761 C8 H7 F O2 762 C9 H11 Cl O3 766 C8 H10 Cl N O2 S 768 C11 H11 N O 774 C15 H11 Cl O3 775 C15 H11 Cl O3 781 C5 H9 N O S2 783 C38 H47 N O13 786 C6 H5 Cl O4 788 C18 H27 N O5 790 C19 H27 F O2 798 C20 H37 F O2 799 C20 H43 N O 800 C20 H28 N O2 812 C13 H17 N S 816 C4 H7 N O3 820 C10 H15 N O2 S 821 C7 H9 N O2 S 823 C5 H9 N O 824 C16 H27 N O 839 C22 H43 N O 842 C35 H32 Mg N4 O5 846 C22 H27 F O5 847 C10 H19 F O2 848 C17 H18 N2 O S 851 C14 H25 N O11 870 C22 H45 N O6 P S2 871 C22 H45 N O6 P S2 872 C22 H45 N O6 P S2 879 C13 H21 O2 P S2 880 C8 H17 N S 885 C8 H18 O S 886 C8 H18 O S 887 C8 H9 N O5 888 C21 H24 N O4 890 C25 H50 N O4 892 C5 H7 N O3 893 C5 H7 N O3 897 C16 H13 N O4 905 C18 H37 N O3 906 C18 H37 N O3 919 C24 H23 N O5 Warning: The "Compound Name" column at position 5 in the 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 11 in the 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 10 in the 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 12 in the 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 "METLIN ID" column at position 13 in the METABOLITES table, matches a standard column name, "metlin_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 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 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 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 "ChEBI ID" column at position 4 in the METABOLITES table has all null values.