Validation Log 2025-12-15 02:31:44.859264 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005786/mwtab/json Study ID: ST003523 Analysis ID: AN005786 File format: json Status: Contains Validation Issues Number of Issues: 12 Number of Warnings: 10 Number of Value Errors: 12 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: Error: The value, "Not applicable", in ["SUBJECT"]["GENDER"] should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required. Error: The value, "45", in ["CHROMATOGRAPHY"]["COLUMN_TEMPERATURE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Warning: The "m/z" column at position 12 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "moverz_quant". 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 "SMILES" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "smiles", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 186 C1(C(C(OC(C1O)O)C(=O)O)O)O'' 265 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]... 266 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]... Warning: The "RefMet" column at position 2 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "refmet", 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 2-Deoxy-glucose 1 2-Deoxy-glucose 2 2-Hydroxy-4-(methylthio)butanoic acid 3 2-Hydroxybutyric acid 4 2-Dehydro-3-deoxy-D-gluconic acid 5 Citraconic acid 6 2-Phosphoglyceric acid 7 2-Phosphoglyceric acid 8 2-Phosphoglyceric acid 9 2-Phosphoglyceric acid 10 2-Pyrocatechuic acid 11 Lumazine 12 Gentisic acid 13 2'',4''-Dihydroxyacetophenone 14 2-Hydroxyglutaric acid 15 2-Hydroxyglutaric acid 16 2-Hydroxyglutaric acid 17 2-Hydroxyglutaric acid 18 2-Hydroxyglutaric acid 19 2-Hydroxyglutaric acid 20 3-(2-Hydroxyphenyl)propanoic acid 21 4-Hydroxyphenylpyruvic acid 22 Tetrahydrocortisol 23 3-Hydroxybenzoic acid 24 3-Hydroxybenzyl alcohol 25 3-Hydroxybutyric acid 26 3-Hydroxymethylglutaric acid 27 Vanillylmandelic acid 28 3-Methyloxindole 29 3E-Methylglutaconic acid 30 Nitrotyrosine 31 3-Phosphoglyceric acid 32 3-Phosphoglyceric acid 33 3-Phosphoglyceric acid 34 3-Phosphoglyceric acid 35 3,4-Dihydroxymandelic acid 36 Protocatechuic acid 37 3,4-Dihydroxybenzeneacetic acid 38 4-Hydroxybenzaldehyde 39 4-Hydroxybenzoic acid 40 4-Methylcatechol 41 5-Hydroxylysine 42 6-Phosphogluconic acid 43 6-Phosphogluconic acid 44 6-Phosphogluconic acid 45 6-Phosphogluconic acid 46 6-Phosphogluconic acid 47 6-Phosphogluconic acid 48 Acetyl-CoA 49 Acetyl-CoA 50 Acetyl-CoA 51 Acetyl-CoA 52 Acetyl-CoA 53 Acetyl-CoA 54 Acetyl-CoA 55 Acetyl-CoA 56 Acetyl-CoA 57 ADP 58 ADP 59 ADP 60 ADP 61 ADP 62 ADP 63 ADP 64 ADP 65 ADP 66 ADP-glucose 67 2-Oxoglutaric acid 68 2-Oxoglutaric acid 69 2-Oxoglutaric acid 70 2-Oxoglutaric acid 71 2-Oxoglutaric acid 72 2-Oxoglutaric acid 73 Allantoin 74 Allose 75 Glucose 76 AMP 77 AMP 78 AMP 79 AMP 80 AMP 81 AMP 82 AMP 83 AMP 84 AMP 85 2-Aminobenzenesulfonic acid 86 Arabitol 87 ATP 88 ATP 89 ATP 90 ATP 91 ATP 92 ATP 93 ATP 94 Azelaic acid 95 Benzoic acid 96 sn-Glycero-2-phosphate 97 Cellobiose 98 cis-Aconitic acid 99 cis-Aconitic acid 100 cis-Aconitic acid 101 cis-Aconitic acid 102 cis-Aconitic acid 103 cis-Aconitic acid 104 cis-Aconitic acid 105 Citramalic acid 106 Citric acid 107 Citric acid 108 Citric acid 109 Citric acid 110 Citric acid 111 Citric acid 112 Citric acid 113 Coenzyme A 114 3'',5'' cyclic GMP 115 Cys-Gly 116 Cysteic acid 117 Cysteine 118 Cysteine 119 Cysteine 120 Cysteine 121 Cystine 122 CDP 123 CDP 124 CDP 125 CDP 126 CDP 127 CDP 128 CDP 129 CDP 130 CDP 131 CMP 132 CMP 133 CMP 134 CMP 135 CMP 136 CMP 137 CMP 138 CMP 139 CMP 140 CMP 141 Glucuronolactone 142 Pinitol 143 Ribose 5-phosphate 144 Sedoheptulose 145 L-Dehydroascorbic acid 146 Deoxyuridine 147 dUTP 148 dUMP 149 Dethiobiotin 150 dGDP 151 4,5-Dihydroorotic acid 152 4,5-Dihydroorotic acid 153 4,5-Dihydroorotic acid 154 4,5-Dihydroorotic acid 155 4,5-Dihydroorotic acid 156 Dihydrouracil 157 Dihydroxyacetone phosphate 158 Dihydroxyacetone phosphate 159 Dihydroxyacetone phosphate 160 Dihydroxyacetone phosphate 161 dTDP-glucose 162 Erythritol 163 Ethylmalonic acid 164 trans-Ferulic acid 165 Fructose 166 Fructose 1,6-bisphosphate 167 Fructose 1,6-bisphosphate 168 Fructose 1,6-bisphosphate 169 Fructose 1,6-bisphosphate 170 Fructose 6-phosphate 171 Fructose 6-phosphate 172 Fructose 6-phosphate 173 Fructose 6-phosphate 174 Fructose 6-phosphate 175 Fructose 6-phosphate 176 Fructose 6-phosphate 177 Fumaric acid 178 Fumaric acid 179 Fumaric acid 180 Fumaric acid 181 Fumaric acid 182 Galactaric acid 183 Galactitol 184 Galactose 185 Galactose 1-phosphate 186 Galacturonic acid 187 GDP 188 GDP 189 Geranyl diphosphate 190 Gluconic acid 191 Glucosamine 6-sulfate 192 Glucose 193 Glucose 194 Glucose 195 Glucose 196 Glucose 197 Glucose 198 Glucose 199 Glucose 1-phosphate 200 Glucose 6-phosphate 201 Glucose 6-phosphate 202 Glucose 6-phosphate 203 Glucose 6-phosphate 204 Glucose 6-phosphate 205 Glucose 6-phosphate 206 Glucose 6-phosphate 207 Glucuronic acid 208 Glutaric acid 209 Glyceraldehyde 3-phosphate 210 Glyceraldehyde 3-phosphate 211 Glyceraldehyde 3-phosphate 212 Glyceric acid 213 sn-Glycero-3-phosphate 214 sn-Glycero-3-phosphate 215 sn-Glycero-3-phosphate 216 sn-Glycero-3-phosphate 217 GMP 218 GMP 219 GTP 220 GTP 221 GDP 222 GDP-mannose 223 Gulose 224 Hippuric acid 225 Homogentisic acid 226 Homovanillic acid 227 Hydroxyphenyllactic acid 228 Hydroxyphenyllactic acid 229 Hydroxypyruvic acid 230 IMP 231 IMP 232 IMP 233 IMP 234 IMP 235 IMP 236 IMP 237 IMP 238 Indolepyruvate 239 Indoleacetaldehyde 240 Indoxyl sulfate 241 Indican 242 Isopentenyl-diphosphate 243 Itaconic acid 244 L-Gulonolactone 245 Lactic acid 246 Lactic acid 247 Lactic acid 248 Lactic acid 249 Malic acid 250 Malic acid 251 Malic acid 252 Malic acid 253 Malic acid 254 Malonic acid 255 Maltose 256 Mannitol 257 Mannose 258 Mannose 6-phosphate 259 Melibiose 260 3-Mercaptopyruvic acid 261 Mesoxalic acid 262 Methyl beta-D-galactoside 263 Methylmalonic acid 264 Monomethyl glutaric acid 265 Myo-inositol 266 Myo-inositol 267 N-Acetylalanine 268 N-Acetylaspartic acid 269 N-Acetylcysteine 270 N-Acetylglycine 271 N-Acetylleucine 272 N-Acetylmethionine 273 N-Acetylserine 274 N-Formylmethionine 275 N-Formylglycine 276 Nicotinic acid 277 O-Acetylserine 278 Orotic acid 279 Oxalic acid 280 2-Oxoglutaric acid 281 2-Oxoglutaric acid 282 2-Oxoglutaric acid 283 2-Oxoglutaric acid 284 2-Oxoglutaric acid 285 2-Oxoglutaric acid 286 Oxoproline 287 4-Hydroxyphenylacetic acid 288 Palatinose 289 Palmitic acid 290 Palmitic acid 291 Palmitic acid 292 Palmitoleic acid 293 Phosphoenolpyruvic acid 294 Phosphoenolpyruvic acid 295 Phosphoenolpyruvic acid 296 Phosphoenolpyruvic acid 298 Pregnenolone sulfate 299 Pyridoxal 5''-phosphate 300 Pyrocatechol 301 Pyroglutamic acid 302 Pyrrole-2-carboxylic acid 303 Pyruvic acid 304 Pyruvic acid 305 Pyruvic acid 306 Pyruvic acid 307 Quinic acid 308 Quinolinic acid 309 Raffinose 310 Ribitol 311 Ribose 5-phosphate 312 Ribose 5-phosphate 313 Ribose 5-phosphate 314 Ribose 5-phosphate 315 Ribose 316 Ribose 317 Ribulose 5-phosphate 318 Ribulose 5-phosphate 319 Ribulose 5-phosphate 320 Ribulose 5-phosphate 321 Ribulose 5-phosphate 322 Glucaric acid 323 Salicylic acid 324 Sebacic acid 325 Sedoheptulose 7-phosphate 326 Sedoheptulose 7-phosphate 327 Sedoheptulose 7-phosphate 328 Sedoheptulose 7-phosphate 329 Sedoheptulose 7-phosphate 330 Sedoheptulose 7-phosphate 331 Sedoheptulose 7-phosphate 332 Sedoheptulose 7-phosphate 333 Sedoheptulose 334 Sedoheptulose 335 Shikimic acid 336 Sorbic acid 337 Sorbitol 338 Sorbitol 339 Sorbitol 340 Sorbitol 341 Sorbitol 342 Sorbitol 343 Sorbitol 344 Sorbose 345 Stachyose 346 Suberic acid 347 Succinic acid 348 Succinic acid 349 Succinic acid 350 Succinic acid 351 Succinic acid 352 Sucrose 353 Tartaric acid 354 Threitol 355 Thymidine 356 dTMP 357 dTMP 358 dTMP 359 dTMP 360 dTMP 361 dTMP 362 dTMP 363 dTMP 364 dTMP 365 dTMP 366 Trehalose 367 UDP 368 UDP-N-acetylglucosamine 369 UDP 370 UMP 371 UMP 372 Uracil 373 Uracil-5-carboxylic acid 374 Uric acid 375 Uridine 376 UDP 377 UDP 378 UDP 379 UDP 380 UDP 381 UDP 382 UDP 383 UDP 384 UDP 385 UDP 386 UDP-glucose 387 UDP-glucuronic acid 388 UDP-N-acetylgalactosamine 389 UDP-N-acetylglucosamine 390 UDP-galactose 391 UMP 392 UMP 393 UMP 394 UMP 395 UMP 396 UMP 397 UMP 398 UMP 399 UMP 400 UMP 401 UTP 402 Xanthine 403 XMP 404 Xylitol 405 Xylulose 5-phosphate Warning: The "PubChem_CID" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "pubchem_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 "KEGG" 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 "HMDB" column at position 7 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 "CAS_ID" 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 "CAS_ID" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "cas_number", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 22 19391 23 36320 27 20369 28 -144465 31 -394151 32 -394151 33 -394151 34 -394151 35 -410884 150 582078 156 -509690 207 1700908 209 -641814 210 -641814 211 -641814 213 20883 214 20883 215 20883 216 20883 226 -581982 238 -550448 244 1615286 263 -505370 356 -560463 357 -560463 358 -560463 359 -560463 360 -560463 361 -560463 362 -560463 363 -560463 364 -560463 365 -560463 389 -501018 Warning: The "ChEBI" column at position 9 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 "RT" column at position 11 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.