Validation Log 2025-12-14 21:01:32.671417 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000068/mwtab/txt Study ID: ST000044 Analysis ID: AN000068 File format: txt Status: Contains Validation Issues Number of Issues: 24 Number of Warnings: 11 Number of Value Errors: 16 Number of Consistency Errors: 2 Number of Format Errors: 5 Issue Log: Error: An empty value or a null value was detected for the subsection, "ADDRESS", in the "PROJECT" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "PHONE", in the "STUDY" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "COLLECTION_SUMMARY", in the "COLLECTION" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SAMPLEPREP_SUMMARY", in the "SAMPLEPREP" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "MS_COMMENTS", in the "MS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The required property, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "FLOW_RATE", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_A", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_B", in the "CHROMATOGRAPHY" section is missing. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "10-HYDROXYDECANOATE_1" "11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE" "11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE_1" "11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE_2" "1_2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE" "1_2-DIPALMITOYL-SN-GLYCEROL" "12-HYDROXY-DODECANOIC ACID_1" "[13C]-ASPARTIC ACID_1" "[13C]-METHIONINE_1" "2`_4`-DIHYDROXYACETOPHENONE" "2_6-DIHYDROXYPYRIDINE" "2-AMINO-2-DEOXYHEXOPYRANOSE_1" "2`-DEOXYADENOSINE_1" "2`-DEOXYCYTIDINE_1" "2`-DEOXYCYTIDINE 5`-DIPHOSPHATE_1" "2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE_1" "2-HYDROXYBUTYRIC ACID_1" "3_3`_5-TRIIODO-L-THYRONINE" "3_3`_5-TRIIODO-L-THYRONINE_1" "3_3`-DITHIODIVALINE" "3_4-DIHYDROXYBENZOATE" "3_4-DIHYDROXYBENZOATE_1" "3_4-DIHYDROXY-L-PHENYLALANINE" "3_4-DIHYDROXY-L-PHENYLALANINE_1" "3_4-DIHYDROXYMANDELIC ACID" "3_4-DIHYDROXYPHENYLACETATE" "3_5-DIIODO-L-THYRONINE" "3`-CMP_1" "3-HYDROXY-DL-KYNURENINE_1" "3-UREIDOPROPIONIC ACID_1" "4-ACETAMIDOBUTANOATE_1" "4-HYDROXY-3-METHOXYPHENYLGLYCOL_1" "5`-DEOXYADENOSINE_1" "5-HYDROXY-L-TRYPTOPHAN_1" "5-HYDROXYPENTANOIC ACID_1" "5`-METHYLTHIOADENOSINE_1" "6_7-DIHYDROBIOPTERIN" "ADENOSINE_1" "ADENOSINE 2`_3`-CYCLIC MONOPHOSPHATE" "ADENOSINE 3`_5`-CYCLIC MONOPHOSPHATE" "ADENOSINE 5`-MONOPHOSPHATE (*)_1" "ALPHA-KETO-GLUTARATE_1" "AMINOHYDROXYBUTANOIC ACID_1" "ASCORBATE_1" "ASPARAGINE_1" "ASPARTATE_1" "AZELAIC ACID_1" "BILIVERDIN_1" "BIS(2-ETHYLHEXYL)PHTHALATE_1" "BOC-ALA-OH_1" "BOC-ASN_1" "BOC-ASP-OH_1" "BOC-HIS-OH_1" "BRADYKININ (*)_1" "BRADYKININ DES-ARG(9) (*)_1" "BRADYKININ HYDROXY-PRO(3) (*)_1" "CADAVERINE_1" "CAPECITABINE_1" "CERAMIDE PHOSPHOCHOLINE (*)_1" "CHOLESTA-5_7-DIEN-3BETA-OL" "CHOLESTA-5_7-DIEN-3BETA-OL_1" "CHOLESTA-5_7-DIEN-3BETA-OL_2" "CITRAMALATE_1" "CITRATE_1" "CITRULLINE_1" "CORTICOSTERONE_1" "CORTISOL_1" "CORTISOL 21-ACETATE_1" "CORTISONE_1" "CREATININE_1" "CYCLOHEXANE-1_3-DIONE" "CYCLOHEXANE-1_3-DIONE_1" "CYSTINE_1" "CYTIDINE_1" "CYTIDINE 2`_3`-CYCLIC MONOPHOSPHATE (CCMP)" "CYTIDINE 2`_3`-CYCLIC MONOPHOSPHATE (CCMP)_1" "CYTOSINE_1" "DEOXYCHOLATE_1" "DEOXYCORTICOSTERONE_1" "DEOXYURIDINE_1" "DETHIOBIOTIN_1" "D-GLUCONO-1_5-LACTONE" "DIHYDROOROTATE_1" "DIMETHYLARGININE (*)_1" "DIMETHYL MALEATE_1" "DIMETHYLXANTHINE_1" "DOCOSAHEXAENOIC ACID_1" "DOPAMINE_1" "EDTA (*)_1" "ENKEPHALINE_ (D-ALA)2-LEU" "ESTRIOL (*)_1" "FERULATE_1" "FRUCTOSE 1_6-BIPHOSPHATE" "GLUCOSE-6-PHOSPHATE_1" "GLUTAMINE_1" "GLUTARATE_1" "GLUTATHIONE_1" "GLYCEROL PHOSPHATE_1" "GLYCOCHOLATE_1" "GLYCOLITHOCHOLIC ACID ETHYL ESTER_1" "GUANOSINE_1" "GUANOSINE 3`_5`-CYCLIC MONOPHOSPHATE" "GUANOSINE 5` MONOPHOSPHATE_1" "GULONO-1_4-LACTONE" "HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_1" "HIPPURATE_1" "HOMOVANILLATE_1" "HYPOXANTHINE_1" "INDOLE-3-ACETIC ACID_1" "INDOLEPYRUVATE (*)_1" "INOSINE_1" "LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_1" "LL-2_6-DIAMINOHEPTANEDIOATE" "LUMICHROME_1" "MANNOSE-6-PHOSPHATE_1" "METHIONINE_1" "METHYL ACETOACETATE_1" "METHYL JASMONATE_1" "METHYLMALONATE_1" "MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_1" "N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_1" "N6-(DELTA2-ISOPENTENYL)-ADENINE_1" "N-ACETYL-D-HEXOSAMINE_1" "N-ACETYL-DL-GLUTAMIC ACID_1" "N-ACETYL-DL-METHIONINE_1" "N-ACETYL-L-ASPARTIC ACID_1" "N-ACETYL-L-CYSTEINE_1" "N-ACETYL-L-LEUCINE_1" "N-ACETYL-L-PHENYLALANINE_1" "N-ACETYLNEURAMINATE_1" "N-ACETYLSEROTONIN_1" "N-ALPHA-ACETYL-L-ASPARAGINE_1" "N-CYCLOHEXYLFORMAMIDE_1" "NICOTINAMIDE ADENINE DINUCLEOTIDE_1" "NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE_1" "NICOTINAMIDE MONONUCLEOTIDE_1" "NICOTINATE D-RIBONUCLEOSIDE (*)_1" "N_N_N-TRIMETHYLLYSINE" "O-ACETYL-L-CARNITINE_1" "OLEAMIDE_1" "OLEOYLCARNITINE (*)_1" "OLEOYLGLYCEROPHOSPHOCHOLINE (*)_1" "O-PHOSPHO-DL-SERINE_1" "O-PHOSPHONOHEXOPYRANOSE_1" "ORNITHINE_1" "OROTIDINE 5`-MONOPHOSPHATE_1" "PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_1" "PALMITOYLCARNITINE (*)_1" "PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_1" "PALMITOYL SPHINGOMYELIN (*)_1" "PANTOLACTONE_1" "PANTOTHENIC ACID_1" "PARAOXON-METHYL_1" "PHENYLACETIC ACID_1" "PHENYLACETYLGLUTAMINE (*)_1" "PHENYLALANINE_1" "PHOSPHATE_1" "PHOSPHOCHOLINE_1" "PHOSPHOCREATINE_1" "PHOSPHONOACETATE_1" "PIMELIC ACID_1" "PIPERINE (*)_1" "PROLINE_1" "PROMETRYN_1" "PTERIN_1" "PYRIDOXAL_1" "RETINOATE_1" "RIBULOSE 1_5-BISPHOSPHATE" "S-ADENOSYL-L-HOMOCYSTEINE_1" "S-ADENOSYL METHIONINE_1" "SALICYLIC ACID_1" "SALSOLINOL_1" "SELENOCYSTAMINE_1" "SEROTONIN_1" "SHIKIMATE_1" "SPHINGANINE_1" "SPHINGOSINE (*)_1" "STEAROYL SPHINGOMYELIN (*)_1" "SUBERIC ACID_1" "TAURINE_1" "THYMIDINE_1" "THYROTROPIN RELEASING HORMONE_1" "THYROXINE_1" "TRANS-CYCLOHEXANE-1_2-DIOL" "TRYPTOPHAN_1" "TRYPTOPHAN BETAINE (*)_1" "TYROSINE_1" "URATE_1" "URATE (*)_1" "UREA_1" "URIDINE_1" "UROBILIN (*)_1" "VALINE_1" "VITAMIN B12_1" "VITAMIN D3_1" Warning: The following metabolites in the MS_METABOLITE_DATA table appear more than once in the table: "AMINOHYDROXYBENZOIC ACID" "CADAVERINE" "DIETHYL AMINOMALONATE" "THIAMINE MONOPHOSPHATE" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "10-HYDROXYDECANOATE_4" "12-HYDROXY-DODECANOIC ACID_2" "[13C]-ASPARTIC ACID_2" "[13C]-METHIONINE_2" "2-AMINO-2-DEOXYHEXOPYRANOSE_2" "2`-DEOXYADENOSINE_2" "2`-DEOXYCYTIDINE_2" "2`-DEOXYCYTIDINE 5`-DIPHOSPHATE_2" "2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE_2" "2-HYDROXYBUTYRIC ACID_5" "3`-CMP_2" "3-HYDROXY-DL-KYNURENINE_2" "3-UREIDOPROPIONIC ACID_2" "4-ACETAMIDOBUTANOATE_3" "4-HYDROXY-3-METHOXYPHENYLGLYCOL_2" "5`-DEOXYADENOSINE_3" "5-HYDROXY-L-TRYPTOPHAN_3" "5-HYDROXYPENTANOIC ACID_3" "5`-METHYLTHIOADENOSINE_2" "ADENOSINE_4" "ADENOSINE 5`-MONOPHOSPHATE (*)_2" "ALPHA-KETO-GLUTARATE_2" "AMINOHYDROXYBUTANOIC ACID_3" "ASCORBATE_2" "ASPARAGINE_2" "ASPARTATE_2" "AZELAIC ACID_4" "BILIVERDIN_2" "BIS(2-ETHYLHEXYL)PHTHALATE_6" "BOC-ALA-OH_2" "BOC-ASN_3" "BOC-ASP-OH_4" "BOC-HIS-OH_3" "BRADYKININ (*)_3" "BRADYKININ DES-ARG(9) (*)_4" "BRADYKININ HYDROXY-PRO(3) (*)_3" "CADAVERINE_2" "CAPECITABINE_2" "CERAMIDE PHOSPHOCHOLINE (*)_5" "CITRAMALATE_2" "CITRATE_3" "CITRULLINE_2" "CORTICOSTERONE_2" "CORTISOL_3" "CORTISOL 21-ACETATE_2" "CORTISONE_2" "CREATININE_2" "CYSTINE_2" "CYTIDINE_2" "CYTOSINE_2" "DEOXYCHOLATE_2" "DEOXYCORTICOSTERONE_3" "DEOXYURIDINE_2" "DETHIOBIOTIN_2" "DIHYDROOROTATE_2" "DIMETHYLARGININE (*)_2" "DIMETHYL MALEATE_2" "DIMETHYLXANTHINE_2" "DOCOSAHEXAENOIC ACID_5" "DOPAMINE_2" "EDTA (*)_2" "ESTRIOL (*)_2" "FERULATE_2" "GLUCOSE-6-PHOSPHATE_2" "GLUTAMINE_3" "GLUTARATE_4" "GLUTATHIONE_2" "GLYCEROL PHOSPHATE_2" "GLYCOCHOLATE_4" "GLYCOLITHOCHOLIC ACID ETHYL ESTER_3" "GUANOSINE_2" "GUANOSINE 5` MONOPHOSPHATE_2" "HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_4" "HIPPURATE_3" "HOMOVANILLATE_3" "HYPOXANTHINE_6" "INDOLE-3-ACETIC ACID_3" "INDOLEPYRUVATE (*)_2" "INOSINE_9" "LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_12" "LUMICHROME_3" "MANNOSE-6-PHOSPHATE_2" "METHIONINE_3" "METHYL ACETOACETATE_2" "METHYL JASMONATE_4" "METHYLMALONATE_2" "MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_14" "N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_5" "N6-(DELTA2-ISOPENTENYL)-ADENINE_2" "N-ACETYL-D-HEXOSAMINE_3" "N-ACETYL-DL-GLUTAMIC ACID_4" "N-ACETYL-DL-METHIONINE_6" "N-ACETYL-L-ASPARTIC ACID_2" "N-ACETYL-L-CYSTEINE_3" "N-ACETYL-L-LEUCINE_2" "N-ACETYL-L-PHENYLALANINE_2" "N-ACETYLNEURAMINATE_3" "N-ACETYLSEROTONIN_2" "N-ALPHA-ACETYL-L-ASPARAGINE_2" "N-CYCLOHEXYLFORMAMIDE_2" "NICOTINAMIDE ADENINE DINUCLEOTIDE_2" "NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE_2" "NICOTINAMIDE MONONUCLEOTIDE_2" "NICOTINATE D-RIBONUCLEOSIDE (*)_4" "O-ACETYL-L-CARNITINE_3" "OLEAMIDE_7" "OLEOYLCARNITINE (*)_5" "OLEOYLGLYCEROPHOSPHOCHOLINE (*)_16" "O-PHOSPHO-DL-SERINE_2" "O-PHOSPHONOHEXOPYRANOSE_2" "ORNITHINE_2" "OROTIDINE 5`-MONOPHOSPHATE_2" "PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_3" "PALMITOYLCARNITINE (*)_4" "PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_16" "PALMITOYL SPHINGOMYELIN (*)_2" "PANTOLACTONE_2" "PANTOTHENIC ACID_4" "PARAOXON-METHYL_2" "PHENYLACETIC ACID_2" "PHENYLACETYLGLUTAMINE (*)_5" "PHENYLALANINE_4" "PHOSPHATE_2" "PHOSPHOCHOLINE_2" "PHOSPHOCREATINE_2" "PHOSPHONOACETATE_2" "PIMELIC ACID_2" "PIPERINE (*)_9" "PROLINE_2" "PROMETRYN_2" "PTERIN_2" "PYRIDOXAL_3" "RETINOATE_3" "S-ADENOSYL-L-HOMOCYSTEINE_2" "S-ADENOSYL METHIONINE_2" "SALICYLIC ACID_2" "SALSOLINOL_3" "SELENOCYSTAMINE_2" "SEROTONIN_2" "SHIKIMATE_2" "SPHINGANINE_2" "SPHINGOSINE (*)_2" "STEAROYL SPHINGOMYELIN (*)_5" "SUBERIC ACID_2" "TAURINE_3" "THYMIDINE_2" "THYROTROPIN RELEASING HORMONE_2" "THYROXINE_3" "TRYPTOPHAN_3" "TRYPTOPHAN BETAINE (*)_16" "TYROSINE_4" "URATE_3" "URATE (*)_2" "UREA_2" "URIDINE_5" "UROBILIN (*)_2" "VALINE_4" "VITAMIN B12_2" "VITAMIN D3_2" Warning: The following metabolites in the METABOLITES table appear more than once in the table: "AMINOHYDROXYBENZOIC ACID" "CADAVERINE" "DIETHYL AMINOMALONATE" "THIAMINE MONOPHOSPHATE" Warning: The "inchi_key" column at position 6 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 778 C06338 779 C05293 780 C00499 781 CA1514 782 C05208 783 M00004 784 M00067 785 C01672 786 M00018 787 M00023 788 C14554 789 C14554 790 C14554 791 M12008 792 M00001 793 CA1488 794 C04230 795 C04230 796 M12003 797 M00011 798 M12006 799 M00013 800 M12012 801 C00302 802 M00066 803 C00051 804 C08283 805 M00007 806 M00029 807 M00003 808 M00027 809 C11512 810 C11512 811 M12018 812 C01239 813 M12000 814 M00052 815 M00031 816 C03017 817 C00750 818 C13846 819 M12005 820 M12014 821 C01081 822 C00842 823 M00005 Warning: The "ri" column at position 3 in the METABOLITES table, matches a standard column name, "retention_index". 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 "ri_type" column at position 4 in the METABOLITES table, matches a standard column name, "retention_index_type". 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 standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column. Warning: The "moverz_quant" column at position 2 in the METABOLITES table has all null values. Warning: The "ri" column at position 3 in the METABOLITES table has all null values. Warning: The "ri_type" column at position 4 in the METABOLITES table has all null values. Warning: The "inchi_key" column at position 6 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "other_id_type" column at position 9 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.