Validation Log 2025-12-14 21:02:12.729212 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000081/mwtab/txt Study ID: ST000047 Analysis ID: AN000081 File format: txt Status: Contains Validation Issues Number of Issues: 17 Number of Warnings: 7 Number of Value Errors: 9 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 "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, "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, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. 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-hydroxy-8E-Decene-2_4_6-triynoicacid" "11alpha-(chloromethyl)-1alpha_25-dihydroxyvitaminD3/11alpha-(chloromethyl)-1alpha_25-dihydroxycho" "12-oxo-14_18-dihydroxy-9Z_13E_15Z-octadecatrienoicacid" "1-(7Z_10Z_13Z_16Z-docosatetraenoyl)-2-(7Z_10Z_13Z_16Z_19Z-docosapentaenoyl)-sn-glycerol" "(17Z)-1alpha_25-dihydroxy-26_27-dimethyl-17_20_22_22_23_23-hexadehydrovitaminD3/(17Z)-1alpha_25-d" "1-(9Z_12Z-octadecadienoyl)-rac-glycerol" "1a_1b-dihomo-PGJ2" "1alpha_18-dihydroxyvitaminD_3/1alpha_18-dihydroxycholecalciferol" "1alpha_25-dihydroxy-24-oxovitaminD_3/1alpha_25-dihydroxy-24-oxocholecalciferol" "1alpha_25-dihydroxy-2beta-(2-hydroxyethoxy)vitaminD3/1alpha_25-dihydroxy-2beta-(2-hydroxyethoxy)c" "(22E_24E_26E)-1alpha_26b-dihydroxy-22_23_24_25_26_26a-hexadehydro-26a_26b-dihomo-27-norvitaminD3/" "2_3-Dihydroxyvalericacid" "2_3-Dihydroxyvalericacid+2.514446" "(24S)-1alpha_24-dihydroxy-22-oxavitaminD3/(24S)-1alpha_24-dihydroxy-22-oxacholecalciferol" "(24S)-1alpha_24-dihydroxy-22-oxavitaminD3/(24S)-1alpha_24-dihydroxy-22-oxacholecalciferol+2.0631058" "(24S)-1alpha_24-dihydroxy-22-oxavitaminD3/(24S)-1alpha_24-dihydroxy-22-oxacholecalciferol+2.8750935" "25_26-epoxy-1alpha-hydroxy-23_23_24_24-tetradehydro-19-norvitaminD3/25_26-epoxy-1alpha-hydroxy-23" "2-Heptenedioicacid_4-oxo-" "3_3_45-Tetrahydroxystilbene" "3_4-Dehydrochlorambucil" "3_5-hexadienoicacid" "3a_6b_7a_12a-Tetrahydroxy-5b-cholanoicacid" "3E_5E-tridecadienoicacid" "3-Hydroxy-N-glycyl-2_6-xylidine(3-Hydroxyglycinexylidide)" "3-Methylamino-1_2-propandiol" "4_6-Diamino-5-formamidopyrimidine" "5_6-DiHETrE-EA" "5_6-Dihydrouridine" "5_7-nonadienoicacid" "5_7-nonadienoicacid+1.1411649" "5-amino-1-[3_4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide" "5^-Methylthioadenosine" "5^-Methylthioadenosine+2.0272343" "6_8-dihydroxy-octanoicacid" "6-Formylindolo[3_2-B]carbazole" "8-methoxy-13-hydroxy-9_11-octadecadienoicacid" "(9R_13R)-1a_1b-dihomo-jasmonicacid" "Anandamide(20:2_n-6)" "Anandamide(20:2_n-6)+1.2057526" "DALBERGIONE_4-METHOXY-4^-HYDROXY-" "GPEtn(20:4(5Z_8Z_11Z_14Z)/20:4(5Z_8Z_11Z_14Z))[U]" "LEVULINICACID_3-BENZYLIDENYL-" "N-(1_1-dimethyl-2-hydroxy-ethyl)arachidonoylamine" "N1_N4-Diacetylsulfanilamide" "N2_N2-Dimethylguanosine" "N_N-Didemethylchlorpromazine" "N_N-dimethylhistidine" "N_N-Dimethyltryptamine(DMT)" "N-propyl-16_16-dimethyl-5Z_8Z_11Z_14Z-docosatetraenoylamine" "QUERCETINTETRAMETHYL(5_7_3^_4^)ETHER" "sn-1_2-Dioctanoylglycerol" "TG(17:2(9Z_12Z)/18:0/22:3(10Z_13Z_16Z))[iso6]" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "10-hydroxy-8E-Decene-2,4,6-triynoicacid" "11alpha-(chloromethyl)-1alpha,25-dihydroxyvitaminD3/11alpha-(chloromethyl)-1alpha,25-dihydroxycho" "12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoicacid" "(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitaminD3/(17Z)-1alpha,25-d" "1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxycholecalciferol" "1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-oxocholecalciferol" "1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)c" "(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitaminD3/" "2,3-Dihydroxyvalericacid" "2,3-Dihydroxyvalericacid+2.514446" "(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol" "(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol+2.0631058" "(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol+2.8750935" "25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydro-19-norvitaminD3/25,26-epoxy-1alpha-hydroxy-23" "2-Heptenedioicacid,4-oxo-" "3,5-hexadienoicacid" "3a,6b,7a,12a-Tetrahydroxy-5b-cholanoicacid" "3E,5E-tridecadienoicacid" "3-Hydroxy-N-glycyl-2,6-xylidine(3-Hydroxyglycinexylidide)" "5,7-nonadienoicacid" "5,7-nonadienoicacid+1.1411649" "5'-Methylthioadenosine+2.0272343" "6,8-dihydroxy-octanoicacid" "6-Formylindolo[3,2-B]carbazole" "8-methoxy-13-hydroxy-9,11-octadecadienoicacid" "(9R,13R)-1a,1b-dihomo-jasmonicacid" "Anandamide(20:2,n-6)" "Anandamide(20:2,n-6)+1.2057526" "DALBERGIONE,4-METHOXY-4'-HYDROXY-" "LEVULINICACID,3-BENZYLIDENYL-" "N-(1,1-dimethyl-2-hydroxy-ethyl)arachidonoylamine" "N,N-Dimethyltryptamine(DMT)" "N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoylamine" "QUERCETINTETRAMETHYL(5,7,3',4')ETHER" 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 "inchi_key" column at position 6 in the METABOLITES table has all null values. Warning: The "other_id" column at position 8 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 9 in the METABOLITES table has all null values. Warning: The "kegg_id" column at position 7 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.