Validation Log
2025-12-15 00:48:58.993464
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003981/mwtab/txt
Study ID:      ST002444
Analysis ID:   AN003981
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, "Male and female", for the subsection, "GENDER", in the "SUBJECT" section should be one of "Male", "Female", "Male, Female", "Hermaphrodite", or "N/A". Ignore this when more complicated descriptions are required.
Error: The value, "0.5 ml/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 following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table:
	"12_13-Epoxytrichothec-9-ene-3_7_8_15-tetrol"
	"1_3-Dimethyl-6-morpholino-1_2_3_4-tetrahydropyrimidine-2_4-dione"
	"1-(4-methyl-2-pyridyl)pyrrolidine-2_5-dione"
	"1-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"
	"1-(5_6-Dihydro-7H-[1_3]benzodioxolo[6_5_4-de]benzo[g]quinolin-7-yl)ethanone"
	"1-(((5-amino-2-furanyl)methylene)amino)-2_4-imidazolidinedione"
	"1-[(9Z)-octadecenoyl]-2-[(4Z_7Z_10Z_13Z_16Z_19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine"
	"1-(beta-D-Ribofuranosyl)-1_2-dihydropyrimidine"
	"(1R_5S_6R_7R_9S_11S_12S_13S_14S)-3-Amino-14-methyl-8_10-dioxa-2_4-diazatetracyclo[7.3.1.1~7_11~.0~1_6~]tetradec-2-ene-5_9_12_13_14-pentol"
	"(1Z_2E_4E_6E)-N-(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)-2_4_6-octatrienimidic acid"
	"2_2^-Iminodipropan-1-ol"
	"2_2^-Iminodipropanoate"
	"2_3-Bis(octanoyloxy)propanimidic acid"
	"2_3-Dimethylquinoxaline"
	"2_4_6-triaminotoluene"
	"2_4-Diacetamido-2_4_6-trideoxy-alpha-D-mannopyranose"
	"2_4-dihydroxyheptadec-16-en-1-yl acetate"
	"2-(6_7-Dimethoxy-3_4-dihydroisoquinolin-1-yl)aniline"
	"2_6-Dimethoxy-4-propylphenol"
	"2-[(7-methyl-2_3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine"
	"2-amino-2_3_7-trideoxy-D-lyxo-hept-6-ulosonic acid"
	"2^-Deoxyadenosine"
	"2-Dimethylamino-5_6-dimethyl-4-hydroxypyrimidine"
	"2-(Hydroxymethyl)-1-methyl-3_4_5-piperidinetriol"
	"2-mercapto-4_6-dimethylnicotinonitrile"
	"(2R_6S)-2_6-Diamino-3-hydroxyheptanedioic acid"
	"3-[3-(1_3-dimethyl-1H-pyrazol-4-yl)-1H-1_2_4-triazol-1-yl]-5-methylisoxazole"
	"3-(3-Chlorophenyl)-5-phenyl-1H-1_2_4-triazole"
	"3_5-Dimethyl-1-phenylpyrazole"
	"3_6_9_12-tetraoxatridecan-1-ol"
	"3^-CMP"
	"3-Hydroxy-5_ 8-tetradecadiencarnitine"
	"4_8-dihydroxy-6_6_8-trimethyl-1H_3H_4H_4aH_5H_6H_7H_7aH_8H_9H-azuleno[5_6-c]furan-1-one"
	"(4-amino-1_2_5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime"
	"(4aR_5R_6R)-6-hydroxy-4a_5-dimethyl-3-(prop-1-en-2-yl)-2_4a_5_6_7_8-hexahydronaphthalen-2-one"
	"(4aR_7aS)-6-Isobutyl-4-(4-pyridinylmethyl)hexahydropyrrolo[3_4-b][1_4]oxazin-3(2H)-one"
	"4-hydroxy-6_7-diphenyl-5_6-dihydro-2H-pyrano[3_2-c]pyridine-2_5-dione"
	"4-(Methylthio)-6-(4-pyridyl)-1_3_5-triazin-2-amine"
	"5_6-Dihydrothymidine"
	"5-(6-hydroxy-6-methyloctyl)-2_5-dihydrofuran-2-one"
	"5-Methyl-1-(1_3_5-trimethyl-1H-pyrazol-4-yl)-1H-1_2_3-triazole"
	"5^-Methylthioadenosine"
	"5^-S-Ethyl-5^-thioadenosine"
	"6-[(3S)-3-{5-[4-(Dimethylamino)phenyl]-1_3_4-oxadiazol-2-yl}-1-pyrrolidinyl]nicotinonitrile"
	"6-Methyl-7_8-dihydroimidazo[1_5-c]pyrimidine-5(6H)-thione"
	"6-(tert-butyl)thieno[3_2-d]pyrimidin-4(3H)-one"
	"7-(1-Ethoxyethoxy)-4_10-dimethyl-3_5_9_11-tetraoxatridecane"
	"7-{[(1S_4aS_6S_8aR)-6-hydroxy-5_5_8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]methoxy}-2H-chromen-2-one"
	"7_8-dihydro-8-oxoguanine"
	"7-methyl-3-nitroimidazo[1_2-a]pyridine"
	"Bis-D-fructose2^_1:2_1^-dianhydride"
	"Cyclohexane-1_2-diaminetetraacetic acid"
	"N1-(2-Cyanoethyl)-N1-(4-pyridylmethyl)-3_4_5-trimethoxybenzamide"
	"N-[(1R_9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7_11-diazatricyclo[7.3.1.02_7]trideca-2_4-dien-5-yl]-4-chlorobenzenesulfonamide"
	"N-{[(1S_4S_6S)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}isonicotinamide"
	"N3_N4-Dimethyl-L-arginine"
	"N-{4-[(2R_3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-morpholinyl]phenyl}-2-methylbenzamide"
	"N~6~_N~6~-Dimethyllysine"
	"N6_N6_N6-Trimethyl-L-lysine"
	"N_N-dimethyl-9H-purin-6-amine"
	"Uridine5^-diphosphate(UDP)"
	"(Z)-N-[(2S)-3-Amino-2-{(Z)-[(2E)-1_4-dihydroxy-4-imino-2-buten-1-ylidene]amino}-1-hydroxypropylidene]-L-valine"
Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table:
	"12,13-Epoxytrichothec-9-ene-3,7,8,15-tetrol"
	"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrimidine-2,4-dione"
	"1-(4-methyl-2-pyridyl)pyrrolidine-2,5-dione"
	"1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine"
	"1-(5,6-Dihydro-7H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-7-yl)ethanone"
	"1-(((5-amino-2-furanyl)methylene)amino)-2,4-imidazolidinedione"
	"1-[(9Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine"
	"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine"
	"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-2-ene-5,9,12,13,14-pentol"
	"(1Z,2E,4E,6E)-N-(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)-2,4,6-octatrienimidic acid"
	"2,2'-Iminodipropan-1-ol"
	"2_2'-Iminodipropanoate"
	"2,3-Bis(octanoyloxy)propanimidic acid"
	"2,3-Dimethylquinoxaline"
	"2,4,6-triaminotoluene"
	"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose"
	"2,4-dihydroxyheptadec-16-en-1-yl acetate"
	"2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)aniline"
	"2,6-Dimethoxy-4-propylphenol"
	"2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine"
	"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid"
	"2'-Deoxyadenosine"
	"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"
	"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"
	"2-mercapto-4,6-dimethylnicotinonitrile"
	"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid"
	"3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-1-yl]-5-methylisoxazole"
	"3-(3-Chlorophenyl)-5-phenyl-1H-1,2,4-triazole"
	"3,5-Dimethyl-1-phenylpyrazole"
	"3,6,9,12-tetraoxatridecan-1-ol"
	"3'-CMP"
	"3-Hydroxy-5, 8-tetradecadiencarnitine"
	"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,7H,7aH,8H,9H-azuleno[5,6-c]furan-1-one"
	"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime"
	"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydronaphthalen-2-one"
	"(4aR,7aS)-6-Isobutyl-4-(4-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one"
	"4-hydroxy-6,7-diphenyl-5,6-dihydro-2H-pyrano[3,2-c]pyridine-2,5-dione"
	"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amine"
	"5,6-Dihydrothymidine"
	"5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one"
	"5-Methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-1,2,3-triazole"
	"5'-Methylthioadenosine"
	"5'-S-Ethyl-5'-thioadenosine"
	"6-[(3S)-3-{5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}-1-pyrrolidinyl]nicotinonitrile"
	"6-Methyl-7,8-dihydroimidazo[1,5-c]pyrimidine-5(6H)-thione"
	"6-(tert-butyl)thieno[3,2-d]pyrimidin-4(3H)-one"
	"7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxatridecane"
	"7-{[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]methoxy}-2H-chromen-2-one"
	"7,8-dihydro-8-oxoguanine"
	"7-methyl-3-nitroimidazo[1,2-a]pyridine"
	"Bis-D-fructose2'_1:2_1'-dianhydride"
	"Cyclohexane-1,2-diaminetetraacetic acid"
	"N1-(2-Cyanoethyl)-N1-(4-pyridylmethyl)-3,4,5-trimethoxybenzamide"
	"N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-chlorobenzenesulfonamide"
	"N-{[(1S,4S,6S)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}isonicotinamide"
	"N3,N4-Dimethyl-L-arginine"
	"N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-morpholinyl]phenyl}-2-methylbenzamide"
	"N~6~,N~6~-Dimethyllysine"
	"N6,N6,N6-Trimethyl-L-lysine"
	"N,N-dimethyl-9H-purin-6-amine"
	"Uridine5'-diphosphate(UDP)"
	"(Z)-N-[(2S)-3-Amino-2-{(Z)-[(2E)-1,4-dihydroxy-4-imino-2-buten-1-ylidene]amino}-1-hydroxypropylidene]-L-valine"
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.