Validation Log 2025-12-15 02:16:44.427080 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005491/mwtab/txt Study ID: ST003350 Analysis ID: AN005491 File format: txt Status: Contains Validation Issues Number of Issues: 16 Number of Warnings: 11 Number of Value Errors: 13 Number of Consistency Errors: 2 Number of Format Errors: 0 Issue Log: 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 value, "0.25mL/min", for the subsection, "FLOW_RATE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "40", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "14_15-Dehydrocrepenynic acid" "18-Nor-4_15-dihydroxyabieta-8_11_13-trien-7-one" "2_2^_2^^-Nitrilotriethanol" "2^-Deoxyadenosine-5^-monophosphate" "2^-Deoxyadenosine monohydrate" "2^-Deoxycytidine-5^-diphosphate" "2^-O-methyladenosine" "2^-O-methylguanosine" "2^-O-methyluridine" "(2S_3R)-2-{[{9-[(2R_3R_4S_5R)-3_4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)" "3(2^-Chlorophenyl)-7-hydroxy-4-phenylcoumarin" "3’_4’_5’-Tricetin 5-O-hexoside" "3’_4’_5’-Tricetin O-malonylhexoside" "3_4-Dihydroxybenzaldehyde" "3_4-Dihydroxybenzoic acid" "3_4-Dimethoxycinnamic acid" "4_6-Dihydroxyquinoline O-hexoside" "5^-Deoxy-5^-Methylthioadenosine" "5^-Deoxy-5^-(methylthio)adenosine_1" "5^-Deoxy-5^-(methylthio)adenosine_2" "5-Ethyl-2^-deoxyuridine" "9_17-Octadecadiene-12_14-diyne-1_11_16-triol" "9S-hydroxy-10E_12Z-octadecadienoic acid (9(S)-HODE)" "Adenosine 3^-monophosphate_1" "Adenosine 3^-monophosphate_2" "Adenosine 3^-monophosphate_3" "Cytidine-5^-diphosphate" "di-C_C-hexosyl-apigenin" "di-C_C-hexosyl-apigenin derivative" "di-C_C-hexosyl-methylluteolin" "di-C_C-pentosyl-apigenin" "di-C_C-pentosyl-luteolin" "DL-alpha_epsilon-Diaminopimelic acid" "E-3_4_5^-Trihydroxy-3^-glucopyranosylstilbene" "Ethyl 3_ 4-Dihydroxybenzoate" "Guanosine-3^_5^-cyclic monophosphate" "Guanosine 5^-monophosphate" "Inosine 5^-monophosphate" "N2_ N2-Dimethylguanosine" "N^_ N^^-DiFeruloylagamtine-N-arabinoside" "N^_ N^^-DiFeruloylspermidine" "N^_ N^^-Di-p-Coumaroylspermidine" "N^_ N^^-Di-p-Coumaroylspermine" "N^_ N^^-DiSinapoylspermidine" "N^_ N^^-Feruloyl_ Caffeoylspermidine" "N^_ N^^_ N^^^-DiFeruloyl_ p-Cinnamoylagamtine" "N^_ N^^_ N^^^-DiFeruloyl_Sinapoylspermidine" "N^_ N^^-p-Coumaroyl_ Feruloylspermidine" "Quercetin 3_5_3^-trimethyl ether" "Riboflavin-5^-monophosphate" "Tricin 4^-O-(syringyl alcohol)ether" "Tricin 4^-O-(syringyl alcohol)ether_2" "Tricin 4^-O-(syringyl alcohol) ether 5-O-hexoside" "Tricin 4^-O-(syringyl alcohol)ether derivative" "Tricin 4^-O-(syringyl alcohol) ether O-hexoside" "Tricin 4^-O-(syringyl alcohol)ether O-hexoside" "Tricin 4^-O-(β-guaiacylglyceryl) ether" "Tricin 4^-O-(β-guaiacylglyceryl) ether 5-O-hexoside_1" "Tricin 4^-O-(β-guaiacylglyceryl) ether 5-O-hexoside_2" "Tricin 4^-O-(β-guaiacylglyceryl) ether 5-O-hexosyl-O-hexoside" "Tricin 4^-O-(β-guaiacylglyceryl) ether O-hexoside" "Tricin 4^-O-(β-guaiacylglyceryl) ether O-hexoside derivative" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "14,15-Dehydrocrepenynic acid" "18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one" "2,2',2''-Nitrilotriethanol" "2'-Deoxyadenosine-5'-monophosphate" "2'-Deoxyadenosine monohydrate" "2'-Deoxycytidine-5'-diphosphate" "2'-O-methyladenosine" "2'-O-methylguanosine" "2'-O-methyluridine" "(2S,3R)-2-{[{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)" "3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin" "3’,4’,5’-Tricetin 5-O-hexoside" "3’,4’,5’-Tricetin O-malonylhexoside" "3,4-Dihydroxybenzaldehyde" "3,4-Dihydroxybenzoic acid" "3,4-Dimethoxycinnamic acid" "4,6-Dihydroxyquinoline O-hexoside" "5'-Deoxy-5'-Methylthioadenosine" "5'-Deoxy-5'-(methylthio)adenosine_1" "5'-Deoxy-5'-(methylthio)adenosine_2" "5-Ethyl-2'-deoxyuridine" "9,17-Octadecadiene-12,14-diyne-1,11,16-triol" "9S-hydroxy-10E,12Z-octadecadienoic acid (9(S)-HODE)" "Adenosine 3'-monophosphate_1" "Adenosine 3'-monophosphate_2" "Adenosine 3'-monophosphate_3" "Cytidine-5'-diphosphate" "di-C,C-hexosyl-apigenin" "di-C,C-hexosyl-apigenin derivative" "di-C,C-hexosyl-methylluteolin" "di-C,C-pentosyl-apigenin" "di-C,C-pentosyl-luteolin" "DL-alpha,epsilon-Diaminopimelic acid" "E-3,4,5'-Trihydroxy-3'-glucopyranosylstilbene" "Ethyl 3, 4-Dihydroxybenzoate" "Guanosine-3',5'-cyclic monophosphate" "Guanosine 5'-monophosphate" "Inosine 5'-monophosphate" "N2, N2-Dimethylguanosine" "N', N''-DiFeruloylagamtine-N-arabinoside" "N', N''-DiFeruloylspermidine" "N', N''-Di-p-Coumaroylspermidine" "N', N''-Di-p-Coumaroylspermine" "N', N''-DiSinapoylspermidine" "N', N''-Feruloyl, Caffeoylspermidine" "N', N'', N'''-DiFeruloyl, p-Cinnamoylagamtine" "N', N'', N'''-DiFeruloyl,Sinapoylspermidine" "N', N''-p-Coumaroyl, Feruloylspermidine" "Quercetin 3,5,3'-trimethyl ether" "Riboflavin-5'-monophosphate" "Tricin 4'-O-(syringyl alcohol)ether" "Tricin 4'-O-(syringyl alcohol)ether_2" "Tricin 4'-O-(syringyl alcohol) ether 5-O-hexoside" "Tricin 4'-O-(syringyl alcohol)ether derivative" "Tricin 4'-O-(syringyl alcohol) ether O-hexoside" "Tricin 4'-O-(syringyl alcohol)ether O-hexoside" "Tricin 4'-O-(β-guaiacylglyceryl) ether" "Tricin 4'-O-(β-guaiacylglyceryl) ether 5-O-hexoside_1" "Tricin 4'-O-(β-guaiacylglyceryl) ether 5-O-hexoside_2" "Tricin 4'-O-(β-guaiacylglyceryl) ether 5-O-hexosyl-O-hexoside" "Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside" "Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside derivative" Warning: The "ri" column at position 7 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 8 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 "pubchem_id" column at position 2 in the METABOLITES table has all null values. Warning: The "inchi_key" column at position 3 in the METABOLITES table has all null values. Warning: The "kegg_id" column at position 4 in the METABOLITES table has all null values. Warning: The "other_id" column at position 5 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 6 in the METABOLITES table has all null values. Warning: The "ri" column at position 7 in the METABOLITES table has all null values. Warning: The "ri_type" column at position 8 in the METABOLITES table has all null values. Warning: The "moverz_quant" column at position 9 in the METABOLITES table has all null values.