Validation Log 2025-12-14 21:02:08.376457 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000080/mwtab/txt Study ID: ST000047 Analysis ID: AN000080 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" "1_2-di-(9Z_12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol" "13_14-dihydro-15-keto-PGF2alpha" "13_14-dihydro-19(R)-hydroxyPGE1" "13E_17-octadecadienoicacid" "13E_17-octadecadienoicacid+12.112559" "13E_17-octadecadienoicacid+12.351626" "1_3-Propanediamine" "13S-hydroxy-9E_11Z-octadecadienoicacid" "16_16-dimethyl-PGF2beta" "16_16-dimethyl-PGF2beta+11.429014" "1a_1b-dihomo-15-deoxy-delta-12_14-PGD2" "1a_1b-dihomo-15-deoxy-delta-12_14-PGD2+14.23761" "1alpha_25-dihydroxy-11beta-methoxyvitaminD3/1alpha_25-dihydroxy-11beta-methoxycholecalciferol" "1alpha_25-dihydroxy-26_27-dimethyl-24a-homo-22-oxavitaminD3/1alpha_25-dihydroxy-26_27-dimethyl-24" "1alpha_25-dihydroxy-26_27-dimethyl-24a-homo-22-oxavitaminD3/1alpha_25-dihydroxy-26_27-dimethyl-24+13.434656" "1alpha_25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha_25-dihydroxy-2beta-(4-hydroxybutoxy)c" "1alpha_25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha_25-dihydroxy-2beta-(4-hydroxybutoxy)c+13.128956" "1alpha-hydroxy-22-(3-hydroxyphenyl)-23_24_25_26_27-pentanorvitaminD3/1alpha-hydroxy-22-(3-hydroxy" "1beta_25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta_25-dihydroxy-2beta-(3-hydroxypropoxy)c" "1-eicosanoyl-2-(5Z_8Z_11Z_14Z_17Z-eicosapentaenoyl)-sn-glycerol" "1-heptadecanoyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1^-rac-glycerol)" "1-nonadecanoyl-2-(10Z_13Z_16Z-docosatrienoyl)-sn-glycerol" "1-Pyrrolidinepropanol_a-(4-hydroxycyclohexyl)-a-phenyl-_trans-" "(1S_2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid" "(1S_2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13.396578" "2_3-Dioxogulonicacid" "(23R_25R)-25-hydroxyvitaminD326_23-lactone/(23R_25R)-25-hydroxycholecalciferol26_23-lactone" "2_4_6_8_10-dodecapentaenal" "2_4_6_8_10-dodecapentaenal+1.227618" "2_4-DICHLOROPHENOXYACETICACID" "2_4-octadienal" "(24S)-1alpha_24_25-trihydroxy-22-oxavitaminD3/(24S)-1alpha_24_25-trihydroxy-22-oxacholecalciferol" "(24S)-1alpha_24-dihydroxy-22-oxavitaminD3/(24S)-1alpha_24-dihydroxy-22-oxacholecalciferol" "2-Butanone_4-[6-(sulfooxy)-2-naphthalenyl]-" "2-Heptenedioicacid_4-oxo-" "2-Pyrrolidinone_1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3_3-diphenyl-(7CI_8CI_9CI)" "3-(2_5-dimethoxyphenyl)propanoicacid" "3_3_45-Tetrahydroxystilbene" "3_4-dihydroxymandelate" "3_5-dichlorosalicylicacid" "3alpha_6alpha_12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oicAcid" "3alpha_7alpha_12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oicacid" "3E_5E-tridecadienoicacid" "3^-Hydroxytrimethoprim" "3-Methylamino-1_2-propandiol" "4_12-dihydroxy-hexadecanoicacid" "4-Amino-6_7-dimethoxy-2-(1-piperazinyl)quinazoline" "4-Amino-6_7-dimethoxy-2-(1-piperazinyl)quinazoline+3.4088924" "_4-Dihydroxyphenylpropionicacid" "4^-Hydroxyminoxidil" "5_6-Dihydrouridine" "5_7-nonadienoicacid" "(5Z)-(3S)-1alpha_25-dihydroxy-3-deoxy-3-thiavitaminD33-oxide/(5Z)-(3S)-1alpha_25-dihydroxy-3-deo" "6_8-dihydroxy-octanoicacid" "6_8-dihydroxy-octanoicacid+4.223625" "6_9-hexadecadienoicacid" "6-Formylindolo[3_2-B]carbazole" "(6RS)-22-oxo-23_24_25_26_27-pentanorvitaminD36_19-sulfurdioxideadduct/(6RS)-22-oxo-23_24_25_26" "7_8-Diaminononanoate" "7_8-Diaminononanoate+0.86831826" "7_8-Didehydroastaxanthin" "7-hydroxy-10E_16-heptadecadien-8-ynoicacid" "8_13-dihydroxy-9_11-octadecadienoicacid" "8-hydroxy-17-octadecene-10_12-diynoicacid" "8-hydroxy-17-octadecene-10_12-diynoicacid+13.171953" "8S-hydroxy-2-Decene-4_6-diynoicacid" "9_12_14-octadecatrienoicacid" "9_13-dihydroxy-11-octadecenoicacid" "alpha_alpha-Trehalose" "Benzenepropanoicacid_4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-(9CI)ASL8123" "Ethylenediamine-N_N^-di-a-butyricacid" "Furan2_5-dicarboxylicacid" "GPEtn(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:4(5Z_8Z_11Z_14Z))[U]" "IdebenoneMetabolite(Benzenehexanoicacid_2_5-dihydroxy-3_4-dimethoxy-6-methyl-)" "IdebenoneMetabolite(Benzenehexanoicacid_2_5-dihydroxy-3_4-dimethoxy-6-methyl-)+5.7281647" "IdebenoneMetabolite(Benzenehexanoicacid_2_5-dihydroxy-3_4-dimethoxy-6-methyl-)+5.8371787" "LEVULINICACID_3-BENZYLIDENYL-" "LEVULINICACID_3-BENZYLIDENYL-+11.658154" "Limonene-1_2-epoxide" "methyl-10-hydroperoxy-8E_12Z_15Z-octadecatrienoate" "N2_N2-Dimethylguanosine" "TG(16:1(9Z)/20:0/22:3(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" "13E,17-octadecadienoicacid" "13E,17-octadecadienoicacid+12.112559" "13E,17-octadecadienoicacid+12.351626" "13S-hydroxy-9E,11Z-octadecadienoicacid" "16,16-dimethyl-PGF2beta+11.429014" "1a,1b-dihomo-15-deoxy-delta-12,14-PGD2+14.23761" "1alpha,25-dihydroxy-11beta-methoxyvitaminD3/1alpha,25-dihydroxy-11beta-methoxycholecalciferol" "1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24" "1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-24+13.434656" "1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c" "1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c+13.128956" "1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitaminD3/1alpha-hydroxy-22-(3-hydroxy" "1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c" "1-Pyrrolidinepropanol,a-(4-hydroxycyclohexyl)-a-phenyl-,trans-" "(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid" "(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13.396578" "2,3-Dioxogulonicacid" "(23R,25R)-25-hydroxyvitaminD326,23-lactone/(23R,25R)-25-hydroxycholecalciferol26,23-lactone" "2,4,6,8,10-dodecapentaenal+1.227618" "2,4-DICHLOROPHENOXYACETICACID" "(24S)-1alpha,24,25-trihydroxy-22-oxavitaminD3/(24S)-1alpha,24,25-trihydroxy-22-oxacholecalciferol" "(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol" "2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]-" "2-Heptenedioicacid,4-oxo-" "2-Pyrrolidinone,1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3,3-diphenyl-(7CI,8CI,9CI)" "3-(2,5-dimethoxyphenyl)propanoicacid" "3,5-dichlorosalicylicacid" "3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oicAcid" "3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oicacid" "3E,5E-tridecadienoicacid" "4,12-dihydroxy-hexadecanoicacid" "4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline+3.4088924" ",4-Dihydroxyphenylpropionicacid" "5,7-nonadienoicacid" "(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD33-oxide/(5Z)-(3S)-1alpha,25-dihydroxy-3-deo" "6,8-dihydroxy-octanoicacid" "6,8-dihydroxy-octanoicacid+4.223625" "6,9-hexadecadienoicacid" "6-Formylindolo[3,2-B]carbazole" "(6RS)-22-oxo-23,24,25,26,27-pentanorvitaminD36,19-sulfurdioxideadduct/(6RS)-22-oxo-23,24,25,26" "7,8-Diaminononanoate+0.86831826" "7-hydroxy-10E,16-heptadecadien-8-ynoicacid" "8,13-dihydroxy-9,11-octadecadienoicacid" "8-hydroxy-17-octadecene-10,12-diynoicacid" "8-hydroxy-17-octadecene-10,12-diynoicacid+13.171953" "8S-hydroxy-2-Decene-4,6-diynoicacid" "9,12,14-octadecatrienoicacid" "9,13-dihydroxy-11-octadecenoicacid" "Benzenepropanoicacid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-(9CI)ASL8123" "Ethylenediamine-N,N'-di-a-butyricacid" "Furan2,5-dicarboxylicacid" "IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)" "IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.7281647" "IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-dimethoxy-6-methyl-)+5.8371787" "LEVULINICACID,3-BENZYLIDENYL-" "LEVULINICACID,3-BENZYLIDENYL-+11.658154" 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.