Comparison Log 2025-12-15 02:56:46.501785 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006373/mwtab/... Study ID: ST003880 Analysis ID: AN006373 Status: Inconsistent Sections "PROJECT" contain missmatched keys: ['DOI'] Sections "COLLECTION" contain missmatched items: {'STORAGE_CONDITIONS': ['-80â\x84\x83', '-80℃']} Sections "ANALYSIS" contain missmatched items: {'ANALYSIS_PROTOCOL_FILE': ['IVD_Analysis_protocol.pdf', 'Analysis_protocol.pdf']} Sections "SAMPLEPREP" contain missmatched items: {'SAMPLEPREP_SUMMARY': ['Human nucleus pulposus tissue of 200 mg was homogenized into fine powder with liquid nitrogen using pre-chilled mortar and pestle. The powdered tissue was dissolved in a 1ml of triple solvent mixture (Methanol: Acetonitrile: Methanol with 2:2:1 v/v/v ratio) and incubated for one minute at RT. The suspension was vortexed for 10 min, sonicated for 2 min using a probe sonicator and incubated overnight at -20°C freezer. The samples were centrifuged at 5000 xg for 15 min at 4°C and the supernatant collected was dried in a vacuum concentrator.', 'Human nucleus pulposus tissue of 200 mg was homogenized into fine powder with liquid nitrogen using pre-chilled mortar and pestle. The powdered tissue was dissolved in a 1ml of triple solvent mixture (Methanol: Acetonitrile: Methanol with 2:2:1 v/v/v ratio) and incubated for one minute at RT. The suspension was vortexed for 10 min, sonicated for 2 min using a probe sonicator and incubated overnight at -20°C freezer. The samples were centrifuged at 5000 xg for 15 min at 4°C and the supernatant collected was dried in a vacuum concentrator.'], 'PROCESSING_STORAGE_CONDITIONS': ['4â\x84\x83', '4℃'], 'EXTRACT_STORAGE': ['-20â\x84\x83', '-20℃']} Sections "CHROMATOGRAPHY" contain missmatched items: {'CHROMATOGRAPHY_SUMMARY': ['Metabolite samples were reconstituted with 50% methanol in 0.1% formic acid spiked with 20ng caffeine. Control and disease individual samples and pooled QC samples (Control pool, disease pool, control+disease pool), and blanks (50% methanol in 0.1% formic acid with 20ng caffeine) (for each sample) were injected and fractionated on to Vanquish Ultra-high performance liquid chromatography (UHPLC) coupled with reverse-phase Q ExactiveTM Plus Hybird Quadrupole-OrbitrapTM mass spectrometer (Thermo scientific, Germany) equipped with heated electrospray ionization (HESI) source. The system maintains the column temperature of 40°C. Metabolites were separated into a Hypersil GOLDâ\x84¢ 1.9 UM 100x2.1 mm column (dim. 100x2.1mm, particle size 1.9 micrometer, C18 column) with a pore size of 175Ã\x85. The mobile phase solvents include: Solvent -A: 0.1% formic acid; Solvent -B: 100% methanol, with a flow rate of 0.250 mL/min. The metabolites were eluted with a linear gradient of 30 min (2.0% B for 2 min, 2-50% B for 3 min, 50-75% B for 13 min, 75-95% B for 2 min, 95% B for 5 min, 95-2% B for 2 min, and 2% B for 3 min).', 'Metabolite samples were reconstituted with 50% methanol in 0.1% formic acid spiked with 20ng caffeine. Control and disease individual samples and pooled QC samples (Control pool, disease pool, control+disease pool), and blanks (50% methanol in 0.1% formic acid with 20ng caffeine) (for each sample) were injected and fractionated on to Vanquish Ultra-high performance liquid chromatography (UHPLC) coupled with reverse-phase Q ExactiveTM Plus Hybird Quadrupole-OrbitrapTM mass spectrometer (Thermo scientific, Germany) equipped with heated electrospray ionization (HESI) source. The system maintains the column temperature of 40°C. Metabolites were separated into a Hypersil GOLD™ 1.9 UM 100x2.1 mm column (dim. 100x2.1mm, particle size 1.9 micrometer, C18 column) with a pore size of 175Å. The mobile phase solvents include: Solvent -A: 0.1% formic acid; Solvent -B: 100% methanol, with a flow rate of 0.250 mL/min. The metabolites were eluted with a linear gradient of 30 min (2.0% B for 2 min, 2-50% B for 3 min, 50-75% B for 13 min, 75-95% B for 2 min, 95% B for 5 min, 95-2% B for 2 min, and 2% B for 3 min).']} Sections "STUDY" contain missmatched keys: ['SUBMIT_DATE', 'STUDY_COMMENTS', 'TOTAL_SUBJECTS', 'NUM_GROUPS', 'NUM_FEMALES', 'PUBLICATIONS', 'NUM_MALES'] Sections "MS" contain missmatched items: {'MS_COMMENTS': ['Data acquisition with m/z range of 100-1500 Da. Data were acquired in both positive and negative mode with polarity switching option and the following HESI source settings: Sheath gas flow rate 30 arbitrary units, auxiliary gas flow rate 10 arbitrary units, Spray voltage 3500 V (-3500 V for negative mode), capillary temperature 320°C, S-lens RF level 55, and auxiliary gas heater temperature 350°C (Wang et al., 2017). The acquisitions for each sample was performed in triplicates. Compound Discoverer 3.3 Mass spectral databases mzCloud (ddMS2) and chemical databases including ChemSpider were used to identify the metabolic features.', 'Data acquisition with m/z range of 100-1500 Da. Data were acquired in both positive and negative mode with polarity switching option and the following HESI source settings: Sheath gas flow rate 30 arbitrary units, auxiliary gas flow rate 10 arbitrary units, Spray voltage 3500 V (-3500 V for negative mode), capillary temperature 320°C, S-lens RF level 55, and auxiliary gas heater temperature 350°C (Wang et al., 2017). The acquisitions for each sample was performed in triplicates. Compound Discoverer 3.3 Mass spectral databases mzCloud (ddMS2) and chemical databases including ChemSpider were used to identify the metabolic features.'], 'CAPILLARY_TEMPERATURE': ['320°C', '320°C'], 'PRECURSOR_TYPE': ['[M+H]+ and [M-H]â\x88\x92', '[M+H]+ and [M-H]−']} 'Metabolites' section of 'MS_METABOLITE_DATA' block do not match. 'Data' section of 'MS_METABOLITE_DATA' block do not match.