Validation Log
2024-12-01 05:55:13.812349
mwtab Python Library Version: 1.2.5
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004412/mwtab/txt
Study ID:      ST002721
Analysis ID:   AN004412
File format:   txt
Status: Contains Validation Errors
Number Errors: 1

Error Log:
SCHEMA: Section "CHROMATOGRAPHY" does not match the allowed schema. Wrong key 'SOLVENT_C' in OrderedDict([('CHROMATOGRAPHY_SUMMARY', 'The C18 column is operated parallel to the HILIC column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6- port switching valves. During operation of the C18 method, the MS is operated in negative ion mode and 10 μL of sample is injected onto the C18 column while the HILIC column is flushing with wash solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, increased to 0.5mL/min at 2 min and held for 3 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 10mM ammonium acetate in LC-MS grade water. Initial mobile phase conditions are 60% A, 35% B, 5% C hold for 0.5 min, with linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3.5 min, resulting in a total analytical run time of 5 min. During the flushing phase (HILIC analytical separation), the C18 column is equilibrated with a wash solution of 0% A, 95% B, 5% C until 2.5 min, followed by an equilibration solution of 60% A, 35% B, 5% C for 2.5 min.'), ('METHODS_FILENAME', 'EmoryUniversity_HRM-QEHF_chromatography_5min_092017_v1.pdf'), ('CHROMATOGRAPHY_COMMENTS', 'Triplicate injections for each chromatography mode'), ('INSTRUMENT_NAME', 'Thermo Dionex Ultimate 3000'), ('COLUMN_NAME', 'Thermo Higgins C18 (50 x 2.1mm,3um)'), ('COLUMN_TEMPERATURE', '60'), ('FLOW_GRADIENT', 'A= water, B= acetontrile, C= 10mM ammonium acetate in water; 60% A, 35% B, 5% C hold for 0.5 min, linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3 min'), ('FLOW_RATE', '0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min'), ('SOLVENT_A', '100% water'), ('SOLVENT_B', '100% acetonitrile'), ('CHROMATOGRAPHY_TYPE', 'Reversed phase'), ('SOLVENT_C', '100% water; 10mM ammonium acetate')])