Validation Log
2025-12-15 00:54:06.136369
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004090/mwtab/txt
Study ID:      ST002493
Analysis ID:   AN004090
File format:   txt
Status: Contains Validation Issues
Number of Issues: 16

Number of Warnings: 12

Number of Value Errors: 12

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-Dilinoleoylglycerol"
	"1_4a-dimethyl-9-oxo-7-propan-2-yl-3_4_10_10a-tetrahydro-2H-phenanthrene-1-carboxylic acid"
	"1_5-Dicaffeoylquinic acid"
	"16_16-Dimethylprostaglandin A2"
	"1-O-[(2alpha_3beta_5xi_9xi_18xi)-2_3_23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"2_3_4^_5-Tetrahydroxystilbene 2-glucoside"
	"2_3-Dimethoxy-5-methylbenzoquinone"
	"2_3-Dinor-8-isoprostaglandin-F2.alpha."
	"2_4_7_9-Tetramethyl-5-decyne-4_7-diol"
	"(+)-2_5-epi-Goniothalesdiol"
	"2_6-Di-tert-butyl-4-hydroxymethylphenol"
	"(2E)-3-(4-Chlorophenyl)-3-(3_4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one"
	"2-Propenoic acid_ 3-(2_4-dimethoxyphenyl)-_ (E)-"
	"(2R_3R)-2_3-bis[[(E)-3-(3_4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid"
	"[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate"
	"3-[(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"
	"3_4_2^_4^_6^-Pentahydroxychalcone"
	"3_4-Dihydroxycinnamic acid (L-alanine methyl ester) amide"
	"3_4-Dihydroxy-L-phenylalanine"
	"3_4-Dihydroxymandelic acid"
	"3_4-Dihydroxymethamphetamine"
	"3_4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenone"
	"3_5_7_3^_4^-Pentahydroxyflavanone"
	"3^_5^-Dimethoxy-3_5_7_4^-tetrahydroxyflavone"
	"3_5-Dimethoxy-4-hydroxycinnamic acid"
	"3_5-Dimethoxycinnamic acid"
	"3_7_4^-Trihydroxyflavone"
	"3^-Hydroxy-5_6_7_4^-tetramethoxyflavone"
	"3-Hydroxy-6_3^_4^-trimethoxyflavone"
	"3-(Hydroxymethyl)-6_7-dimethylquinolin-2-ol"
	"4_4^-Dimethoxystilbene"
	"4^_5-Dihydroxy-7-methoxyflavanone"
	"4^_6^-Dimethoxy-2^-hydroxyacetophenone"
	"4^_7-Dimethoxy-3-hydroxyflavone"
	"4-Demethylsimmondsin 2^-ferulate"
	"4H-1-Benzopyran-4-one_ 2-(2-amino-3-methoxyphenyl)-"
	"4^-Methyl-N-methylhexanophenone"
	"4^-O-.beta.-D-Glucosyl-5-O-methylvisamminol"
	"4-Pregnen-11_17_20_21-tetrol-3-one"
	"(4S_5Z_6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid"
	"5-(2-Aminopropyl)-2_3-dihydro-1H-indene"
	"5_3^-Dihydroxy-6_7_4^-trimethoxyflavone"
	"5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3_4_5-trihydroxy-6-[[(2R_3R_4R_5R_6S)-3_4_5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one"
	"5-Hexenoic acid_ 6-[(2R_3S)-3-[[[(4-chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-_ (5Z)-"
	"5^-O-Acetyladenosine"
	"5^-S-Methyl-5^-thioadenosine"
	"7_2^-Dimethoxyflavone"
	"7_8-Diallyloxy-4-methylcoumarin"
	"7_8-Dihydro-.alpha.-ionone"
	"7_8-Dihydroxy-4-methylcoumarin"
	"7_8-Dihydroxycoumarin"
	".alpha._.beta.-Thujone"
	"Androstane-3_17-diol"
	"apigenin 6_8-digalactoside"
	"Arachidonoyl-2^-fluoroethylamide"
	"Benzamide_ N-[[(2-hydroxy-5-nitrophenyl)amino]thioxomethyl]-3_5-dimethyl-"
	"Benzeneacetic acid_ .alpha.-amino-3_5-dihydroxy-_ (.alpha.S)-"
	"beta-D-Glucopyranose_ 1-O-[(2alpha_3beta_5xi_9xi)-2_3_19_24-tetrahydroxy-24_28-dioxours-12-en-28-yl]-"
	"Carbamic acid_ N-(2_2-diphenylacetyl)-_ ethyl ester"
	"cis-11_14-Eicosadienoic acid"
	"Cyclohexanecarboxylic acid_ 1-phenyl-_ 2-(4-morpholinyl)ethyl ester"
	"Dilinolenin (9c_12c_15c)"
	"Dodeca-2(E)_4(E)-dienoic acid"
	"(E)-3-[4-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid"
	"Ethanone_ 1-(5-hydroxy-1-pentyl-1H-indol-3-yl)-2-(2-methoxyphenyl)-"
	"Gossypetin 3_3^_8-trimethylether"
	"L-Arginine_ methyl ester"
	"Luteolin-7_3^-di-O-glucoside"
	"Malvidin 3_5-diglucoside cation"
	"Monolinolenin (9c_12c_15c)"
	"N1-(3-Aminopropyl)-N1-methylpropane-1_3-diamine"
	"N-[(3s_5s_7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide"
	"Naringenin 4^_7-dimethylether"
	"N_N-Dimethyl-L-valine"
	"Phenol_ 5-(1_1-dimethyloctyl)-2-[(1S_3S)-3-hydroxycyclohexyl]-"
	"Piperazine_ 1-cyclohexyl-4-(1_2-diphenylethyl)-"
	"Quercetin 3_4^-di-O-glucoside"
	"Quercetin 3^-methyl ether"
	"Quercetin 3-O-.beta.-D-glucose-6^-acetate"
	"R-(-)-Phenyl-1_2-ethanediol"
	"Simmondsin 2^-ferulate"
	"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-Dilinoleoylglycerol"
	"1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid"
	"1,5-Dicaffeoylquinic acid"
	"16,16-Dimethylprostaglandin A2"
	"1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose"
	"2,3,4',5-Tetrahydroxystilbene 2-glucoside"
	"2,3-Dimethoxy-5-methylbenzoquinone"
	"2,3-Dinor-8-isoprostaglandin-F2.alpha."
	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"
	"(+)-2,5-epi-Goniothalesdiol"
	"2,6-Di-tert-butyl-4-hydroxymethylphenol"
	"(2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one"
	"2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-"
	"(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid"
	"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate"
	"3-[(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"
	"3,4,2',4',6'-Pentahydroxychalcone"
	"3,4-Dihydroxycinnamic acid (L-alanine methyl ester) amide"
	"3,4-Dihydroxy-L-phenylalanine"
	"3,4-Dihydroxymandelic acid"
	"3,4-Dihydroxymethamphetamine"
	"3,4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenone"
	"3,5,7,3',4'-Pentahydroxyflavanone"
	"3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone"
	"3,5-Dimethoxy-4-hydroxycinnamic acid"
	"3,5-Dimethoxycinnamic acid"
	"3,7,4'-Trihydroxyflavone"
	"3'-Hydroxy-5,6,7,4'-tetramethoxyflavone"
	"3-Hydroxy-6,3',4'-trimethoxyflavone"
	"3-(Hydroxymethyl)-6,7-dimethylquinolin-2-ol"
	"4,4'-Dimethoxystilbene"
	"4',5-Dihydroxy-7-methoxyflavanone"
	"4',6'-Dimethoxy-2'-hydroxyacetophenone"
	"4',7-Dimethoxy-3-hydroxyflavone"
	"4-Demethylsimmondsin 2'-ferulate"
	"4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)-"
	"4'-Methyl-N-methylhexanophenone"
	"4'-O-.beta.-D-Glucosyl-5-O-methylvisamminol"
	"4-Pregnen-11,17,20,21-tetrol-3-one"
	"(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid"
	"5-(2-Aminopropyl)-2,3-dihydro-1H-indene"
	"5,3'-Dihydroxy-6,7,4'-trimethoxyflavone"
	"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one"
	"5-Hexenoic acid, 6-[(2R,3S)-3-[[[(4-chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-, (5Z)-"
	"5'-O-Acetyladenosine"
	"5'-S-Methyl-5'-thioadenosine"
	"7,2'-Dimethoxyflavone"
	"7,8-Diallyloxy-4-methylcoumarin"
	"7,8-Dihydro-.alpha.-ionone"
	"7,8-Dihydroxy-4-methylcoumarin"
	"7,8-Dihydroxycoumarin"
	".alpha.,.beta.-Thujone"
	"Androstane-3,17-diol"
	"apigenin 6,8-digalactoside"
	"Arachidonoyl-2'-fluoroethylamide"
	"Benzamide, N-[[(2-hydroxy-5-nitrophenyl)amino]thioxomethyl]-3,5-dimethyl-"
	"Benzeneacetic acid, .alpha.-amino-3,5-dihydroxy-, (.alpha.S)-"
	"beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi)-2,3,19,24-tetrahydroxy-24,28-dioxours-12-en-28-yl]-"
	"Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl ester"
	"cis-11,14-Eicosadienoic acid"
	"Cyclohexanecarboxylic acid, 1-phenyl-, 2-(4-morpholinyl)ethyl ester"
	"Dilinolenin (9c,12c,15c)"
	"Dodeca-2(E),4(E)-dienoic acid"
	"(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid"
	"Ethanone, 1-(5-hydroxy-1-pentyl-1H-indol-3-yl)-2-(2-methoxyphenyl)-"
	"Gossypetin 3,3',8-trimethylether"
	"L-Arginine, methyl ester"
	"Luteolin-7,3'-di-O-glucoside"
	"Malvidin 3,5-diglucoside cation"
	"Monolinolenin (9c,12c,15c)"
	"N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine"
	"N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide"
	"Naringenin 4',7-dimethylether"
	"N,N-Dimethyl-L-valine"
	"Phenol, 5-(1,1-dimethyloctyl)-2-[(1S,3S)-3-hydroxycyclohexyl]-"
	"Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)-"
	"Quercetin 3,4'-di-O-glucoside"
	"Quercetin 3'-methyl ether"
	"Quercetin 3-O-.beta.-D-glucose-6'-acetate"
	"R-(-)-Phenyl-1,2-ethanediol"
	"Simmondsin 2'-ferulate"
	"trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde"
Warning: The "moverz_quant" column at position 9 in the METABOLITES table, matches a standard column name, "moverz_quant", and some of the values in the column do not match the expected type or format for that column. The non-matching values are:
2                         [M+H]+
13                        [M+H]+
14                        [M+H]+
15                        [M+H]+
16                        [M+H]+
17                        [M+H]+
19                        [M+H]+
23                        [M+H]+
24                        [M+H]+
26                        [M+H]+
375    556.1503_341.0688521.1126
579    265.1143_133.0659122.0723
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" column at position 7 in the METABOLITES table, matches a standard column name, "retention_index", and some of the values in the column do not match the expected type or format for that column. The non-matching values are:
2               ESI (+)
13              ESI (+)
14              ESI (+)
15              ESI (+)
16              ESI (+)
17              ESI (+)
19              ESI (+)
23              ESI (+)
24              ESI (+)
26              ESI (+)
375    2.904_2.9232.902
579    1.124_1.1451.099
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.