Validation Log 2025-12-14 21:02:00.086693 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000078/mwtab/txt Study ID: ST000046 Analysis ID: AN000078 File format: txt Status: Contains Validation Issues Number of Issues: 16 Number of Warnings: 6 Number of Value Errors: 8 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: "1-(13Z-docosenoyl)-2-(7Z_10Z_13Z_16Z_19Z-docosapentaenoyl)-sn-glycerol" "1_2-di-(8Z_11Z_14Z-eicosatrienoyl)-sn-glycerol" "1_3-Dimethyluricacid" "13E_17-octadecadienoicacid" "17-alpha_21-dihydroxy-11_20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide" "1alpha_25-dihydroxy-11alpha-phenylvitaminD3/1alpha_25-dihydroxy-11alpha-phenylcholecalciferol" "1alpha_25-dihydroxy-11alpha-phenylvitaminD3/1alpha_25-dihydroxy-11alpha-phenylcholecalciferol-14.324497" "1alpha_25-dihydroxy-26_27-dimethyl-22-oxavitaminD3/1alpha_25-dihydroxy-26_27-dimethyl-22-oxachole" "1alpha_25-dihydroxy-26_27-dimethyl-22-oxavitaminD3/1alpha_25-dihydroxy-26_27-dimethyl-22-oxachole-13.7853775" "1alpha_25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha_25-dihydroxy-2beta-(5-hydroxypentoxy" "2_2-Dimethylsuccinicacid" "(22S)-1alpha_22_25-trihydroxy-23_24-tetradehydro-24a_24b-dihomo-20-epivitaminD3/(22S)-1alpha_22_2" "2_3-Diaminopropionicacid" "2_3-Dihydroxybenzoicacid" "2_3-Dioxogulonicacid" "2_4-dihydroxy-2-heptenediocacid" "2_4-DINITROPHENOL" "2-amino-4^-hydroxy-Propiophenone" "2-Naphthaleneaceticacid_6-hydroxy-" "3_9_15-Docosatriynoicacid" "3E_5E-tridecadienoicacid" "4_7_10_13_16-docosapentaenoicacid" "4_7_10_13_16-docosapentaenoicacid-13.522585" "4_8-dimethyl-dodecanoicacid" "_4-Dihydroxyphenylpropionicacid" "4Z_7Z_10Z_13Z-eicosatetraenoicacid" "5-(4-hydroxy-2_5-dimethylphenoxy)-2_2-dimethyl-Pentanoicacid(GemfibrozilM1)" "5H-Oxireno[4_5]furo[3_2-g][1]benzopyran-5-one_1a_8b-dihydro-3-methoxy-" "5Z_11Z_14Z-eicosatrienoicacid" "6b_11b_16a_17a_21-Pentahydroxypregna-1_4-diene-3_20-dione16_17-acetonide" "6b_11b_16a_17a_21-Pentahydroxypregna-1_4-diene-3_20-dione16_17-acetonide-10.120011" "6b_11b_16a_17a_21-Pentahydroxypregna-1_4-diene-3_20-dione16_17-acetonide-10.308402" "9_12_14-octadecatrienoicacid" "9-deoxy-9-methylene-16_16-dimethyl-PGE2" "b-D-Glucopyranosiduronicacid_(3b_5b)-17-oxoestran-3-yl" "Benzenemethanol_2-(2-aminopropoxy)-3-methyl-" "Erythrono-1_4-lactone" "Erythrono-1_4-lactone-1.9339892" "Furan2_5-dicarboxylicacid" "Furan2_5-dicarboxylicacid-1.2302623" "GPEtn(16:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))" "GPSer(18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))" "IdebenoneMetabolite(Benzenebutanoicacid_2-hydroxy-3_4-dimethoxy-6-methyl-5-(sulfooxy)-)" "methyl9_11-epidioxy-12_15-dihydroperoxy-5_7_13-eicosatrienoate" "ROTENONICACID_METHYLETHER" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "1,3-Dimethyluricacid" "13E,17-octadecadienoicacid" "17-alpha,21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide" "1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha,25-dihydroxy-11alpha-phenylcholecalciferol" "1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha,25-dihydroxy-11alpha-phenylcholecalciferol-14.324497" "1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole" "1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole-13.7853775" "1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy" "2,2-Dimethylsuccinicacid" "(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitaminD3/(22S)-1alpha,22,2" "2,3-Diaminopropionicacid" "2,3-Dihydroxybenzoicacid" "2,3-Dioxogulonicacid" "2,4-dihydroxy-2-heptenediocacid" "2-Naphthaleneaceticacid,6-hydroxy-" "3,9,15-Docosatriynoicacid" "3E,5E-tridecadienoicacid" "4,7,10,13,16-docosapentaenoicacid" "4,7,10,13,16-docosapentaenoicacid-13.522585" "4,8-dimethyl-dodecanoicacid" ",4-Dihydroxyphenylpropionicacid" "4Z,7Z,10Z,13Z-eicosatetraenoicacid" "5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid(GemfibrozilM1)" "5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one,1a,8b-dihydro-3-methoxy-" "5Z,11Z,14Z-eicosatrienoicacid" "6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide" "6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-10.120011" "6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-10.308402" "9,12,14-octadecatrienoicacid" "9-deoxy-9-methylene-16,16-dimethyl-PGE2" "b-D-Glucopyranosiduronicacid,(3b,5b)-17-oxoestran-3-yl" "Benzenemethanol,2-(2-aminopropoxy)-3-methyl-" "Erythrono-1,4-lactone-1.9339892" "Furan2,5-dicarboxylicacid" "Furan2,5-dicarboxylicacid-1.2302623" "IdebenoneMetabolite(Benzenebutanoicacid,2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-)" "methyl9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate" "ROTENONICACID,METHYLETHER" 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.