Validation Log
2025-12-15 00:54:09.364873
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004091/mwtab/txt
Study ID:      ST002493
Analysis ID:   AN004091
File format:   txt
Status: Contains Validation Issues
Number of Issues: 14

Number of Warnings: 10

Number of Value Errors: 10

Number of Consistency Errors: 2

Number of Format Errors: 0

Issue Log:
Error: The value, "0.4mL/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, "40C", 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:
	"1_2-Dilinolenoyl-sn-glycero-3-phosphoethanolamine"
	"1_3-Cyclohexanedicarboxylic acid"
	"1_4-D-Xylobiose"
	"1-O-[(2alpha_3beta_5xi_6beta_9xi_18xi)-2_3_6_23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"1-O-[(2alpha_3beta_5xi_9xi_18xi)-2_3_23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"(1R_3R_4S_5R)-1_3_4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid"
	"(1S_4aR_6aS_6bR_9R_10R_11R_12aR_14bS)-1_10_11-trihydroxy-9-(hydroxymethyl)-2_2_6a_6b_9_12a-hexamethyl-1_3_4_5_6_6a_7_8_8a_10_11_12_13_14b-tetradecahydropicene-4a-carboxylic acid"
	"2_2-Dimethylglutaric acid"
	"2-(3_5-dihydroxy-4-methoxyphenyl)-5_7-dihydroxy-3-[(2S_3R_4R_5R_6S)-3_4_5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one"
	"2^_4^_6^-Trihydroxydihydrochalcone"
	"2_4-Dichlorobenzoic acid"
	"2_4-Di-tert-butylphenol"
	"2^_5^-Dihydroxy-4-methoxychalcone"
	"2_5-Dihydroxybenzaldehyde"
	"2-Furanpropanoic acid_ 3-carboxy-4-methyl-5-propyl-"
	"(2-oxo-2_3-dihydro-1H-indol-3-yl)acetic acid"
	"(2R_3R_4R_6aR_6bS_8aR_14bR)-2_3_12-trihydroxy-4_6a_6b_11_11_14b-hexamethyl-8a-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1_2_3_4a_5_6_7_8_9_10_12_12a_14_14a-tetradecahydropicene-4-carboxylic acid"
	"(2R_3R_4S_5S_6R)-2-octoxy-6-[[(2S_3R_4S_5R)-3_4_5-trihydroxyoxan-2-yl]oxymethyl]oxane-3_4_5-triol"
	"[(2S_3R_4S_5S_6R)-6-[[(2R_3R_4R_5R_6S)-3-[(2S_3R_4R)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4_5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3_4_5-trihydroxyoxan-2-yl]oxy-2-(3_4-dihydroxyphenyl)-5_7-dihydroxychromen-4-one"
	"(2S_3S_4S_5R_6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3_4_5-trihydroxyoxane-2-carboxylic acid"
	"3-[(2S_3R_4S_5S_6R)-4_5-dihydroxy-6-(hydroxymethyl)-3-[(2S_3R_4S_5R)-3_4_5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5_7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one"
	"3^_4^_5_7-Tetrahydroxy-3-methoxyflavone"
	"3_4-Dimethoxy-2^-hydroxy-5^-methylchalcone"
	"3_5_7_3^_4^-Pentahydroxyflavanone"
	"3_5-Dihydroxybenzoic acid"
	"3^_5^-Dimethoxy-3_5_7_4^-tetrahydroxyflavone"
	"3_7-Dihydroxy-3^_4^-dimethoxyflavone"
	"3-Cyclopentene-1-octanoic acid_ 2-(3-hydroxy-1-penten-1-yl)-5-oxo-"
	"3-Hydroxy-3^_4^-dimethoxyflavone"
	"3-phenyl-2-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyprop-2-enoic acid"
	"4^_5_7-Trihydroxy 3_6_8-trimethoxyflavone"
	"4_5-Dicaffeoylquinic acid"
	"4^_5-Dihydroxy-7-methoxyflavanone"
	"4-[(E)-3-[1-carboxy-2-(3_4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3_4-dihydroxyphenyl)-7-hydroxy-2_3-dihydro-1-benzofuran-3-carboxylic acid"
	"5_3^-Dihydroxy-6_7_4^-trimethoxyflavone"
	"5_7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S_3R_4S_5R)-3_4_5-trihydroxyoxan-2-yl]oxychromen-4-one"
	"6_4^-Dimethoxy-7-hydroxyisoflavone"
	"6-[5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3_4_5-trihydroxyoxane-2-carboxylic acid"
	"6-Hydroxy-2_6_10_10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R_3R_4R)-3_4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside"
	"6-O-Pentopyranosyl-1-O-[(2_6_6-trimethyl-1-cyclohexen-1-yl)carbonyl]-beta-D-glucopyranose"
	"9_10-Dihydroxy-12Z-octadecenoic acid"
	"9_12_15-Octadecatrienoic acid_ 3-(hexopyranosyloxy)-2-hydroxypropyl ester_ (9Z_12Z_15Z)-"
	"9-Hydroperoxy-10E_12Z_15Z-octadecatrienoic acid"
	"9-Oxo-10E_12Z_15Z-octadecatrienoic acid"
	"9S-Hydroperoxy-10E_12Z-octadecadienoic acid"
	"9S-Hydroxy-10E_12Z_15Z-octadecatrienoic acid"
	"beta-D-Glucopyranoside_ 2-phenylethyl 6-O-beta-D-xylopyranosyl-"
	"Delphinidin-3-O-(2^^-O-beta-xylopyranosyl-beta-glucopyranoside)"
	"DL-3_4-Dihydroxyphenyl glycol"
	"D-Saccharic acid 1_4-lactone"
	"Epiafzelechin (2R_3R)(-)"
	"Malvidin 3_5-diglucoside cation"
	"O_O-Dimethyl dithiophosphate"
	"Quercetin 3_4^-di-O-glucoside"
	"Quercetin 3-O-.beta.-D-glucose-6^-acetate"
	"Quercetin-3-O-glucose-6^^-acetate"
	"trans-3_5-Dimethoxy-4-hydroxycinnamaldehyde"
Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table:
	"1,2-Dilinolenoyl-sn-glycero-3-phosphoethanolamine"
	"1,3-Cyclohexanedicarboxylic acid"
	"1,4-D-Xylobiose"
	"1-O-[(2alpha,3beta,5xi,6beta,9xi,18xi)-2,3,6,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid"
	"(1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid"
	"2,2-Dimethylglutaric acid"
	"2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one"
	"2',4',6'-Trihydroxydihydrochalcone"
	"2,4-Dichlorobenzoic acid"
	"2,4-Di-tert-butylphenol"
	"2',5'-Dihydroxy-4-methoxychalcone"
	"2,5-Dihydroxybenzaldehyde"
	"2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-"
	"(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid"
	"(2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid"
	"(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol"
	"[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one"
	"(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid"
	"3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one"
	"3',4',5,7-Tetrahydroxy-3-methoxyflavone"
	"3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone"
	"3,5,7,3',4'-Pentahydroxyflavanone"
	"3,5-Dihydroxybenzoic acid"
	"3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone"
	"3,7-Dihydroxy-3',4'-dimethoxyflavone"
	"3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-penten-1-yl)-5-oxo-"
	"3-Hydroxy-3',4'-dimethoxyflavone"
	"3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyprop-2-enoic acid"
	"4',5,7-Trihydroxy 3,6,8-trimethoxyflavone"
	"4,5-Dicaffeoylquinic acid"
	"4',5-Dihydroxy-7-methoxyflavanone"
	"4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid"
	"5,3'-Dihydroxy-6,7,4'-trimethoxyflavone"
	"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one"
	"6,4'-Dimethoxy-7-hydroxyisoflavone"
	"6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid"
	"6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside"
	"6-O-Pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-beta-D-glucopyranose"
	"9,10-Dihydroxy-12Z-octadecenoic acid"
	"9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-hydroxypropyl ester, (9Z,12Z,15Z)-"
	"9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid"
	"9-Oxo-10E,12Z,15Z-octadecatrienoic acid"
	"9S-Hydroperoxy-10E,12Z-octadecadienoic acid"
	"9S-Hydroxy-10E,12Z,15Z-octadecatrienoic acid"
	"beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl-"
	"Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)"
	"DL-3,4-Dihydroxyphenyl glycol"
	"D-Saccharic acid 1,4-lactone"
	"Epiafzelechin (2R,3R)(-)"
	"Malvidin 3,5-diglucoside cation"
	"O,O-Dimethyl dithiophosphate"
	"Quercetin 3,4'-di-O-glucoside"
	"Quercetin 3-O-.beta.-D-glucose-6'-acetate"
	"Quercetin-3-O-glucose-6''-acetate"
	"trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde"
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 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 "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_type" column at position 8 in the METABOLITES table has all null values.