Validation Log 2025-12-14 21:01:55.849516 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000077/mwtab/txt Study ID: ST000046 Analysis ID: AN000077 File format: txt Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 9 Number of Value Errors: 10 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_12_15-octadecatrienoicacid" "10-hydroxy-2E_8E-Decadiene-4_6-diynoicacid" "10-hydroxy-2E_8E-Decadiene-4_6-diynoicacid+1.2059581" "1_2-di-(9Z-hexadecenoyl)-3-(9Z_12Z-heptadecadienoyl)-sn-glycerol" "1_2-Didecanoyl-glycerol(10:0)" "12Z_15Z-octadecadienoicacid" "1_3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]" "13S-hydroxy-9E_11Z-octadecadienoicacid" "(+/-)14_15-EpETrE" "1_4-Methylimidazoleaceticacid" "16-hydroperoxy-9Z_12_14E-octadecatrienoicacid" "1-(9Z_12Z-heptadecadienoyl)-2-(5Z_8Z_11Z_14Z_17Z-eicosapentaenoyl)-sn-glycerol" "1-(9Z_12Z-octadecadienoyl)-rac-glycerol" "1-(9Z-hexadecenoyl)-2-(9Z_12Z-heptadecadienoyl)-sn-glycerol" "1alpha_18-dihydroxyvitaminD_3/1alpha_18-dihydroxycholecalciferol" "1alpha_25-dihydroxy-11beta-phenylvitaminD3/1alpha_25-dihydroxy-11beta-phenylcholecalciferol" "1alpha_25-dihydroxy-22-oxavitaminD33-hemiglutarate/1alpha_25-dihydroxy-22-oxacholecalciferol3-he" "1alpha_25-dihydroxy-24-oxovitaminD_3/1alpha_25-dihydroxy-24-oxocholecalciferol" "1alpha_25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha_25-dihydroxy-2beta-(5-hydroxypentoxy" "1alpha_25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha_25-dihydroxy-3-deoxy-3-thiacholecalciferol" "1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23_24_25_26_27-pentanorvitaminD3/1alpha" "1beta_25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta_25-dihydroxy-2beta-(3-hydroxypropoxy)c" "1-heneicosanoyl-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "1-heptadecanoyl_2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "1-O-(1Z-hexadecenyl)-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "(1S_2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid" "(20R)-1alpha_25-dihydroxy-20-phenyl-16_17-didehydro-21-norvitaminD3/(20R)-1alpha_25-dihydroxy-20-" "(22E_24E)-1alpha_25-dihydroxy-26_27-diethyl-22_23_24_24a-tetradehydro-24a-homovitaminD3/(22E_24E)" "(22R)-1alpha_22_25-trihydroxy-26_27-dimethyl-23_24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a" "(22R)-1alpha_22_25-trihydroxy-26_27-dimethyl-23_24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a+1.1406572" "(23R)-1alpha_23_25-trihydroxy-24-oxovitaminD3/(23R)-1alpha_23_25-trihydroxy-24-oxocholecalciferol" "(23R_25R)-1alpha_25-dihydroxyvitaminD326_23-lactone/(23R_25R)-1alpha_25-dihydroxycholecalciferol" "2_4-octadienal" "(24S)-1alpha_24-dihydroxy-22-oxa-20-epivitaminD3/(24S)-1alpha_24-dihydroxy-22-oxa-20-epicholecalc" "(24S)-1alpha_24-dihydroxy-22-oxavitaminD3/(24S)-1alpha_24-dihydroxy-22-oxacholecalciferol" "2_5-decadienoicacid" "25-hydroxy-26_27-dimethylvitaminD3/25-hydroxy-26_27-dimethylcholecalciferol" "25-Hydroxy[26_27-methyl]vitaminD33beta-(1_2-epoxypropyl)ether" "2-Methyl-5-isopropylhexa-2Z_5-dienal" "2-tridecene-4_7-diynal" "3_3_45-Tetrahydroxystilbene" "3_3_45-Tetrahydroxystilbene+3.5932326" "3_4_5-Trimethoxycinnamicacid" "3_4-Dihydrospirilloxanthin" "3_6_8-dodecatrien-1-ol" "3_6-octadecadiynoicacid" "3alpha_12alpha_25-trihydroxy-5beta-cholestan-7-one" "3E_13Z-octadecadien-1-ol" "3E_5E-tridecadienoicacid" "3^-Methoxy-E_E-dienoestrol" "4_6-dioxoheptanoicacid" "4_7_10_13_16-docosapentaenoicacid" "4_7_10_13-hexadecatetraenoicacid" "4_8_12_15_19_21-tetracosahexaenoicacid" "5-(3_4-Dihydroxy-1_5-cyclohexadien-1-yl)-5-phenylhydantoin" "5Z_8Z-tetradecadienoicacid" "6_8_10_12-pentadecatetraenal" "6_9_12-hexadecatrienoicacid" "6-Formylindolo[3_2-B]carbazole" "7_12-Dioxo-5beta-cholan-24-oicAcid" "7_8-dihydroxystearicacid" "8-methoxy-13-hydroxy-9_11-octadecadienoicacid" "Anandamide(20:2_n-6)" "campesta-5_22E-dien-3beta-ol" "Ergoline-8-methanol_10-methoxy-1_6-dimethyl-" "Glc-GP(18:0/20:4(5Z_8Z_11Z_14Z))" "GPA(21:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))" "GPEtn(16:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))" "GPEtn(18:0/18:3(9Z_12Z_15Z))[U]" "GPEtn(18:0/20:4(5Z_8Z_11Z_14Z))[U]" "GPEtn(20:4(5Z_8Z_11Z_14Z)/20:4(5Z_8Z_11Z_14Z))[U]" "GPEtnNMe(18:2(9Z_12Z)/18:2(9Z_12Z))[U]" "Ketaminemetabolite(Cyclohexanone_2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-)" "LEVULINICACID_3-BENZYLIDENYL-" "N1_N4-Diacetylsulfanilamide" "N2_N2-Dimethylguanosine" "N^-5Z_8Z_11Z_14Z-eicosatetraenoyl-N^^-diethyl-ethylenediamine" "N_N-dimethylhistidine" "N_O-Didesmethylvenlafaxine" "N-propyl-16_16-dimethyl-5Z_8Z_11Z_14Z-docosatetraenoylamine" "Parasiloxanthin/7_8-Dihydrozeaxanthin" "QUERCETINTETRAMETHYL(5_7_3^_4^)ETHER" "sn-1_2-Dioctanoylglycerol" "stigmasta-7_22E_25-trien-3beta-ol" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "10,12,15-octadecatrienoicacid" "10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid" "10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.2059581" "1,2-Didecanoyl-glycerol(10:0)" "12Z,15Z-octadecadienoicacid" "1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]" "13S-hydroxy-9E,11Z-octadecadienoicacid" "1,4-Methylimidazoleaceticacid" "16-hydroperoxy-9Z,12,14E-octadecatrienoicacid" "1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxycholecalciferol" "1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,25-dihydroxy-11beta-phenylcholecalciferol" "1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate/1alpha,25-dihydroxy-22-oxacholecalciferol3-he" "1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-oxocholecalciferol" "1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy" "1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol" "1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitaminD3/1alpha" "1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c" "1-heptadecanoyl,2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid" "(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitaminD3/(20R)-1alpha,25-dihydroxy-20-" "(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tetradehydro-24a-homovitaminD3/(22E,24E)" "(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a" "(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitaminD3/(22R)-1a+1.1406572" "(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol" "(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lactone/(23R,25R)-1alpha,25-dihydroxycholecalciferol" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(24S)-1alpha,24-dihydroxy-22-oxa-20-epicholecalc" "(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol" "2,5-decadienoicacid" "25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,27-dimethylcholecalciferol" "25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxypropyl)ether" "3,3,45-Tetrahydroxystilbene+3.5932326" "3,4,5-Trimethoxycinnamicacid" "3,6-octadecadiynoicacid" "3E,5E-tridecadienoicacid" "4,6-dioxoheptanoicacid" "4,7,10,13,16-docosapentaenoicacid" "4,7,10,13-hexadecatetraenoicacid" "4,8,12,15,19,21-tetracosahexaenoicacid" "5Z,8Z-tetradecadienoicacid" "6,9,12-hexadecatrienoicacid" "6-Formylindolo[3,2-B]carbazole" "7,12-Dioxo-5beta-cholan-24-oicAcid" "7,8-dihydroxystearicacid" "8-methoxy-13-hydroxy-9,11-octadecadienoicacid" "Anandamide(20:2,n-6)" "Ergoline-8-methanol,10-methoxy-1,6-dimethyl-" "Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-)" "LEVULINICACID,3-BENZYLIDENYL-" "N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoylamine" "Parasiloxanthin/7,8-Dihydrozeaxanthin" "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 column pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other. 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 "ri_type" column at position 4 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 "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.