Validation Log 2025-12-15 02:32:37.676531 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005804/mwtab/txt Study ID: ST003533 Analysis ID: AN005804 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, "0.1mL/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, "25", 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-(1Z-Octadecenyl)-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "1_2-Di(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "1_2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" "1_2-Diamino-2-methylpropane" "1_2-Didocosahexaenoyl-sn-glycero-3-phosphocholine" "1_2-Dihexadecanoyl-sn-glycero-3-phosphocholine" "1_2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N_N-dimethyl" "1_2-Dipentadecanoyl-sn-glycero-3-phosphocholine" "1_2-Distearoyl-sn-glycero-3-phosphocholine" "13-Docosenamide_ (Z)-" "1_5-Pentanediamine" "1H-1_2_4-Triazol-3-amine" "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inositol)" "1-Octadecanoyl-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine" "1-Octadecanoyl-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "1-Octadecanoyl-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phospho-L-serine" "1-Octadecanoyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1^-myo-inositol)" "1-Octadecanoyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine" "1-Octadecanoyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "1-Octadecanoyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine" "2_2^-Diaminodiphenyldisulfide" "2_3-Dihydroxy-3-methylbutyric acid" "2^_4^-Dihydroxy-2-methoxychalcone" "2^-Hydroxy-3^_4^_4-trimethoxychalcone" "2^-Hydroxy-3_4_4^-trimethoxychalcone" "2^-Hydroxy-3_4_5^-trimethoxychalcone" "2^-Hydroxy-5^-methylchalcone" "2-Methyl-1_4-butanediol" "3_2^_4^_5^_6-Pentamethoxyflavone" "3_5-Dicarbethoxy-1_4-dihydrocollidine" "(3-amino-1H-1_2_4-triazol-5-yl)methanol" "3-Pyridinecarboxamide_ 1_6-dihydro-1-methyl-6-oxo-" "4_4^-Sulfonylbisphenol" "(4E_7E_10Z_13E_16E_19E)-docosa-4_7_10_13_16_19-hexaenoic acid" "5^-Deoxy-5^-<WBR>(methylthio)adenosine" "5(Z)_8(Z)_14(Z)-Eicosatrienoic Acid" "8_11-eicosadiynoic acid" "8-Hydroxy-2^-deoxyguanosine" "9-Octadecenamide_ (Z)-" "Adenine_ N6-methyl" "Adenosine_ 5^-S-methyl-5^-thio-" "Benzaldehyde_ 2-hydroxy-4-methoxy-" "Benzoic acid_ 2_6-dihydroxy-" "Benzoic acid_ 2-fluoro-" "Benzoic acid_ 3-amino-" ".beta.-D-Glucopyranose_ 1_6-anhydro-" "Butanoic acid_ 2-amino-_ (S)-" "cis-4_7_10_13_16_19-Docosahexaenoic acid" "Cytidine 5^-diphosphocholine" "Cytidine_ 5-methyl-" "D-Arabinono-1_4-lactone" "DIMETHYL 4_4-o-PHENYLENE-BIS (3-THIOPHANATE)" "DL-2_3-Diaminopropionic acid" "DL-2_4-Diaminobutyric acid" "DL-Homocysteine_ S-ethyl-" "ethyl 6_7-dimethoxy-4-oxo-2_3-dihydro-1H-naphthalene-2-carboxylate" "Glutathione_ oxidized" "Hexanedioic acid_ 2-amino-" "Kavain_ DL-" "L-Histidine_ 1-methyl-" "L-Histidine_ 3-methyl-" "NG_NG-Dimethyl-L-arginine" "S-(5^-Adenosyl)-L-homocysteine" "S-(5^-Adenosyl)-L-methionine cation" "Thymidine 3^_5^-cyclic monophosphate" "Uridine 5^-diphosphate" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "1,2-Di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" "1,2-Diamino-2-methylpropane" "1,2-Didocosahexaenoyl-sn-glycero-3-phosphocholine" "1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine" "1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl" "1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine" "1,2-Distearoyl-sn-glycero-3-phosphocholine" "13-Docosenamide, (Z)-" "1,5-Pentanediamine" "1H-1,2,4-Triazol-3-amine" "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)" "1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine" "1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine" "1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-L-serine" "1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)" "1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine" "1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine" "1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine" "2,2'-Diaminodiphenyldisulfide" "2,3-Dihydroxy-3-methylbutyric acid" "2',4'-Dihydroxy-2-methoxychalcone" "2'-Hydroxy-3',4',4-trimethoxychalcone" "2'-Hydroxy-3,4,4'-trimethoxychalcone" "2'-Hydroxy-3,4,5'-trimethoxychalcone" "2'-Hydroxy-5'-methylchalcone" "2-Methyl-1,4-butanediol" "3,2',4',5',6-Pentamethoxyflavone" "3,5-Dicarbethoxy-1,4-dihydrocollidine" "(3-amino-1H-1,2,4-triazol-5-yl)methanol" "3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-" "4,4'-Sulfonylbisphenol" "(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid" "5'-Deoxy-5'-<WBR>(methylthio)adenosine" "5(Z),8(Z),14(Z)-Eicosatrienoic Acid" "8,11-eicosadiynoic acid" "8-Hydroxy-2'-deoxyguanosine" "9-Octadecenamide, (Z)-" "Adenine, N6-methyl" "Adenosine, 5'-S-methyl-5'-thio-" "Benzaldehyde, 2-hydroxy-4-methoxy-" "Benzoic acid, 2,6-dihydroxy-" "Benzoic acid, 2-fluoro-" "Benzoic acid, 3-amino-" ".beta.-D-Glucopyranose, 1,6-anhydro-" "Butanoic acid, 2-amino-, (S)-" "cis-4,7,10,13,16,19-Docosahexaenoic acid" "Cytidine 5'-diphosphocholine" "Cytidine, 5-methyl-" "D-Arabinono-1,4-lactone" "DIMETHYL 4,4-o-PHENYLENE-BIS (3-THIOPHANATE)" "DL-2,3-Diaminopropionic acid" "DL-2,4-Diaminobutyric acid" "DL-Homocysteine, S-ethyl-" "ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate" "Glutathione, oxidized" "Hexanedioic acid, 2-amino-" "Kavain, DL-" "L-Histidine, 1-methyl-" "L-Histidine, 3-methyl-" "NG,NG-Dimethyl-L-arginine" "S-(5'-Adenosyl)-L-homocysteine" "S-(5'-Adenosyl)-L-methionine cation" "Thymidine 3',5'-cyclic monophosphate" "Uridine 5'-diphosphate" 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.