Validation Log
2025-12-15 02:18:54.889242
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005533/mwtab/txt
Study ID:      ST003378
Analysis ID:   AN005533
File format:   txt
Status: Contains Validation Issues
Number of Issues: 11

Number of Warnings: 8

Number of Value Errors: 7

Number of Consistency Errors: 2

Number of Format Errors: 0

Issue Log:
Error: The value, "65", 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-{3_4_5_11_16_17_18-heptahydroxy-8_14-dioxo-9_13-dioxatricyclo[13.3.1.0²_?]nonadeca-1(19)_2_4_6_15_17-hexaen-10-yl}-2_3_4_7_8_9-hexahydroxy-12_17-dioxo-13_16-dioxatetracyclo[13.3.1.0?_¹?.0?_¹¹]nonadeca-1_3_5(18)_6_8_10-hexaen-19-yl)oxidanesulfonic acid"
	"CL(1^-[18:2(9Z_12Z)/0:0]_3^-[18:2(9Z_12Z)/0:0])"
	"CL(8:0/8:0/11:0/18:2(9Z_11Z))"
	"Cytidine 2^-phosphate"
	"DG(21:0/22:5(7Z_10Z_13Z_16Z_19Z)/0:0)[iso2]"
	"DG(21:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)[iso2]"
	"Glycerol 1_2-cyclic phosphate;1_3_2-Dioxaphospholane-4-methanol"
	"LysoPE(0:0/24:6(6Z_9Z_12Z_15Z_18Z_21Z))"
	"Methyl 2_3_6-tri-O-galloyl-beta-D-glucopyranoside"
	"MG(0:0/20:4(5Z_8Z_11Z_14Z)/0:0)"
	"MG(0:0/24:6(6Z_9Z_12Z_15Z_18Z_21Z)/0:0)"
	"MGDG(18:2(9Z_12Z)/18:2(9Z_12Z))"
	"N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine"
	"N5_N10-Methenyltetrahydrofolic acid"
	"N-Acetylgalactosamine 4_6-disulfate"
	"PA(18:3(6Z_9Z_12Z)/15:0)"
	"PA(20:3(5Z_8Z_11Z)/14:0)"
	"PA(22:1(13Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PA(22:2(13Z_16Z)/16:1(9Z))"
	"PA(22:2(13Z_16Z)/18:0)"
	"PA(22:2(13Z_16Z)/22:4(7Z_10Z_13Z_16Z))"
	"PA(22:4(7Z_10Z_13Z_16Z)/16:0)"
	"PA(22:5(4Z_7Z_10Z_13Z_16Z)/22:0)"
	"PA(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/24:1(15Z))"
	"PA(24:1(15Z)/22:5(4Z_7Z_10Z_13Z_16Z))"
	"Pantetheine 4^-phosphate"
	"PC(18:2(9Z_12Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PC(18:3(9Z_12Z_15Z)/16:1(9Z))"
	"PC(20:4(5Z_8Z_11Z_14Z)/0:0)"
	"PC(22:5(4Z_7Z_10Z_13Z_16Z)/P-18:1(11Z))"
	"PC(22:5(7Z_10Z_13Z_16Z_19Z)/22:5(4Z_7Z_10Z_13Z_16Z))"
	"PC(8:2(2E_4E)/8:2(2E_4E))"
	"PC(MonoMe(9_5)/DiMe(11_5))"
	"PE(15:0/18:4(6Z_9Z_12Z_15Z))"
	"PE(18:4(6Z_9Z_12Z_15Z)/20:4(8Z_11Z_14Z_17Z))"
	"PE(20:4(5Z_8Z_11Z_14Z)/0:0)"
	"PE(20:4(8Z_11Z_14Z_17Z)/18:3(6Z_9Z_12Z))"
	"PE(22:1(13Z)/18:3(9Z_12Z_15Z))"
	"PE(22:2(13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PE(22:4(7Z_10Z_13Z_16Z)/0:0)"
	"PE(22:5(4Z_7Z_10Z_13Z_16Z)/20:1(11Z))"
	"PE(22:5(7Z_10Z_13Z_16Z_19Z)/20:4(5Z_8Z_11Z_14Z))"
	"PE(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)"
	"PE(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/24:1(15Z))"
	"PE(DiMe(13_5)/DiMe(9_5))"
	"PE(DiMe(9_5)/DiMe(9_5))"
	"PE(DiMe(9_5)/MonoMe(11_5))"
	"PE(MonoMe(11_5)/MonoMe(11_5))"
	"PE(MonoMe(13_5)/DiMe(11_3))"
	"PE(MonoMe(9_5)/DiMe(9_5))"
	"PE-NMe2(22:2(13Z_16Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PE-NMe2(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:5(7Z_10Z_13Z_16Z_19Z))"
	"PG(17:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PG(18:3(6Z_9Z_12Z)/22:0)"
	"PG(18:3(6Z_9Z_12Z)/22:4(7Z_10Z_13Z_16Z))"
	"PG(20:4(5Z_8Z_11Z_14Z)/22:1(11Z))"
	"PG(22:5(7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PGP(18:0/22:5(7Z_10Z_13Z_16Z_19Z))"
	"PGP(22:5(4Z_7Z_10Z_13Z_16Z)/22:5(7Z_10Z_13Z_16Z_19Z))"
	"PGP(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PI(15:1(9Z)/22:2(13Z_16Z))"
	"PI(15:1(9Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PI(16:0/22:4(7Z_10Z_13Z_16Z))"
	"PI(18:2(9Z_12Z)/18:2(9Z_12Z))"
	"PI(18:3(9Z_12Z_15Z)/22:3(10Z_13Z_16Z))"
	"PI(18:4(6Z_9Z_12Z_15Z)/19:0)"
	"PI(18:4(6Z_9Z_12Z_15Z)/21:0)"
	"PI(18:4(6Z_9Z_12Z_15Z)/22:4(7Z_10Z_13Z_16Z))"
	"PI(19:0/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(19:1(9Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(19:1(9Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PI(20:0/20:3(8Z_11Z_14Z))"
	"PI(20:3(8Z_11Z_14Z)/0:0)"
	"PI(20:4(5Z_8Z_11Z_14Z)/0:0)"
	"PI(22:4(7Z_10Z_13Z_16Z)/14:1(9Z))"
	"PI(22:4(7Z_10Z_13Z_16Z)/20:5(5Z_8Z_11Z_14Z_17Z))"
	"PI(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:4(5Z_8Z_11Z_14Z))"
	"PIM1(17:0/16:2(9Z_12Z))"
	"PIM1(19:2(9Z_12Z)/18:1(9Z))"
	"PIM2(18:0/16:2(9Z_12Z))"
	"PIM2(18:1(9Z)/16:2(9Z_12Z))"
	"PI(O-16:0/22:4(7Z_10Z_13Z_16Z))"
	"PI(O-18:0/17:2(9Z_12Z))"
	"PIP(18:0/18:2(9Z_12Z))"
	"PIP(18:3(6Z_9Z_12Z)/18:1(11Z))"
	"PI(P-20:0/22:4(7Z_10Z_13Z_16Z))"
	"PI(P-20:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PS(17:1(9Z)/22:2(13Z_16Z))"
	"PS(18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PS(18:2(9Z_12Z)/0:0)"
	"PS(18:2(9Z_12Z)/18:2(9Z_12Z))[U]"
	"PS(20:2(11Z_14Z)/0:0)"
	"PS(20:2(11Z_14Z)/21:0)"
	"PS(20:3(8Z_11Z_14Z)/0:0)"
	"PS(20:3(8Z_11Z_14Z)/21:0)"
	"PS(22:4(7Z_10Z_13Z_16Z)/17:2(9Z_12Z))"
	"PS(22:4(7Z_10Z_13Z_16Z)/19:0)"
	"PS(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/15:0)"
	"PS(DiMe(13_5)/DiMe(11_3))"
	"PS(MonoMe(13_5)/DiMe(13_5))"
	"PS(O-18:0/20:4(5Z_8Z_11Z_14Z))"
	"Pyridoxal 5^-phosphate"
	"TG(18:3(9Z_12Z_15Z)/24:0/18:3(9Z_12Z_15Z))"
	"TG(19:0/22:5(7Z_10Z_13Z_16Z_19Z)/22:5(7Z_10Z_13Z_16Z_19Z))[iso3]"
	"TG(20:0/18:2(9Z_12Z)/20:3n6)"
	"TG(20:1(11Z)/o-18:0/20:4(5Z_8Z_11Z_14Z))"
	"TG(20:4(5Z_8Z_11Z_14Z)/22:1(13Z)/20:4(5Z_8Z_11Z_14Z))"
	"TG(20:5(5Z_8Z_11Z_14Z_17Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"TG(22:4(7Z_10Z_13Z_16Z)/24:1(15Z)/22:4(7Z_10Z_13Z_16Z))"
	"TG(22:5(4Z_7Z_10Z_13Z_16Z)/20:3n6/o-18:0)"
	"TG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/24:1(15Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"UDP-L-Ara4O;UDP-4^^-ketopentose;Uridine 5^-diphospho-beta-(L-threo-pentapyranosyl-4^^-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"
Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table:
	"(14-{3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.0²,?]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0?,¹?.0?,¹¹]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl)oxidanesulfonic acid"
	"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0])"
	"CL(8:0/8:0/11:0/18:2(9Z,11Z))"
	"Cytidine 2'-phosphate"
	"DG(21:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]"
	"DG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]"
	"Glycerol 1,2-cyclic phosphate;1,3,2-Dioxaphospholane-4-methanol"
	"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))"
	"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside"
	"MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)"
	"MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)"
	"MGDG(18:2(9Z,12Z)/18:2(9Z,12Z))"
	"N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine"
	"N5,N10-Methenyltetrahydrofolic acid"
	"N-Acetylgalactosamine 4,6-disulfate"
	"PA(18:3(6Z,9Z,12Z)/15:0)"
	"PA(20:3(5Z,8Z,11Z)/14:0)"
	"PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PA(22:2(13Z,16Z)/16:1(9Z))"
	"PA(22:2(13Z,16Z)/18:0)"
	"PA(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))"
	"PA(22:4(7Z,10Z,13Z,16Z)/16:0)"
	"PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)"
	"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))"
	"PA(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))"
	"Pantetheine 4'-phosphate"
	"PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PC(18:3(9Z,12Z,15Z)/16:1(9Z))"
	"PC(20:4(5Z,8Z,11Z,14Z)/0:0)"
	"PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))"
	"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))"
	"PC(8:2(2E,4E)/8:2(2E,4E))"
	"PC(MonoMe(9,5)/DiMe(11,5))"
	"PE(15:0/18:4(6Z,9Z,12Z,15Z))"
	"PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))"
	"PE(20:4(5Z,8Z,11Z,14Z)/0:0)"
	"PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))"
	"PE(22:1(13Z)/18:3(9Z,12Z,15Z))"
	"PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PE(22:4(7Z,10Z,13Z,16Z)/0:0)"
	"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))"
	"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))"
	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"
	"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))"
	"PE(DiMe(13,5)/DiMe(9,5))"
	"PE(DiMe(9,5)/DiMe(9,5))"
	"PE(DiMe(9,5)/MonoMe(11,5))"
	"PE(MonoMe(11,5)/MonoMe(11,5))"
	"PE(MonoMe(13,5)/DiMe(11,3))"
	"PE(MonoMe(9,5)/DiMe(9,5))"
	"PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))"
	"PG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PG(18:3(6Z,9Z,12Z)/22:0)"
	"PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))"
	"PG(20:4(5Z,8Z,11Z,14Z)/22:1(11Z))"
	"PG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PGP(18:0/22:5(7Z,10Z,13Z,16Z,19Z))"
	"PGP(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))"
	"PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PI(15:1(9Z)/22:2(13Z,16Z))"
	"PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PI(16:0/22:4(7Z,10Z,13Z,16Z))"
	"PI(18:2(9Z,12Z)/18:2(9Z,12Z))"
	"PI(18:3(9Z,12Z,15Z)/22:3(10Z,13Z,16Z))"
	"PI(18:4(6Z,9Z,12Z,15Z)/19:0)"
	"PI(18:4(6Z,9Z,12Z,15Z)/21:0)"
	"PI(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))"
	"PI(19:0/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PI(20:0/20:3(8Z,11Z,14Z))"
	"PI(20:3(8Z,11Z,14Z)/0:0)"
	"PI(20:4(5Z,8Z,11Z,14Z)/0:0)"
	"PI(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))"
	"PI(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))"
	"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))"
	"PIM1(17:0/16:2(9Z,12Z))"
	"PIM1(19:2(9Z,12Z)/18:1(9Z))"
	"PIM2(18:0/16:2(9Z,12Z))"
	"PIM2(18:1(9Z)/16:2(9Z,12Z))"
	"PI(O-16:0/22:4(7Z,10Z,13Z,16Z))"
	"PI(O-18:0/17:2(9Z,12Z))"
	"PIP(18:0/18:2(9Z,12Z))"
	"PIP(18:3(6Z,9Z,12Z)/18:1(11Z))"
	"PI(P-20:0/22:4(7Z,10Z,13Z,16Z))"
	"PI(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PS(17:1(9Z)/22:2(13Z,16Z))"
	"PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PS(18:2(9Z,12Z)/0:0)"
	"PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U]"
	"PS(20:2(11Z,14Z)/0:0)"
	"PS(20:2(11Z,14Z)/21:0)"
	"PS(20:3(8Z,11Z,14Z)/0:0)"
	"PS(20:3(8Z,11Z,14Z)/21:0)"
	"PS(22:4(7Z,10Z,13Z,16Z)/17:2(9Z,12Z))"
	"PS(22:4(7Z,10Z,13Z,16Z)/19:0)"
	"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)"
	"PS(DiMe(13,5)/DiMe(11,3))"
	"PS(MonoMe(13,5)/DiMe(13,5))"
	"PS(O-18:0/20:4(5Z,8Z,11Z,14Z))"
	"Pyridoxal 5'-phosphate"
	"TG(18:3(9Z,12Z,15Z)/24:0/18:3(9Z,12Z,15Z))"
	"TG(19:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]"
	"TG(20:0/18:2(9Z,12Z)/20:3n6)"
	"TG(20:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))"
	"TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))"
	"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))"
	"TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/o-18:0)"
	"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"UDP-L-Ara4O;UDP-4''-ketopentose;Uridine 5'-diphospho-beta-(L-threo-pentapyranosyl-4''-ulose);UDP-beta-L-threo-pentapyranos-4-ulose;UDP-4-keto-D-xylose"
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 "inchi_key" column at position 3 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.