Comparison Log
2024-12-01 06:50:47.895980
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005415/mwtab/...
Study ID:    ST003305
Analysis ID: AN005415
Status:      Inconsistent

Sections "STUDY" contain missmatched items: {('STUDY_TITLE', "Comparative analysis of breast cancer metabolomes highlights fascin's central role in regulating key pathways related to disease progression"), ('STUDY_TITLE', "Comparative analysis of breast cancer metabolomes highlights fascin''s central role in regulating key pathways related to disease progression")}
Sections "CHROMATOGRAPHY" contain missmatched items: {('CHROMATOGRAPHY_SUMMARY', "The dried extract samples were reconstituted in a 1:1 mobile phase (A: 0.1% formic acid in dH2O and B: 0.1% formic acid in (1:1) (v/v) MeOH: ACN) for an LC-MS metabolomics analysis [20]. First, 5 µL of the sample was introduced to the inlet technique, where the metabolites were separated in reversed-phase liquid chromatography using an ACQUITY UPLC XSelect (100 × 2.1 mm × 2.5 μm) column (Waters Ltd., Elstree, UK). The mobile phase flow rate was set at 300 μL/min, the column temperature maintained at 55 °C and the samples were maintained at 4 °C in the autosampler. Mobile phases A and B were pumped to the column in a gradient mode (0–16 min 95–5% A, 16–19 min 5% A, 19–20 min 5–95% A, and 20–22 min 5–95% A). The molecules eluted from the LC were positively or negatively ionized using an electrospray ionization source (ESI) and separated in the gas phase based on m/z using a Xevo G2-S QTOF mass spectrometer (Waters Ltd., Elstree, UK). The metabolites were ionized in the ESI source, where the source temperature was 150 °C, the desolvation temperature was 500 °C, and the capillary voltages were kept at 3.20 kV (ESI+) or 3 kV (ESI−). The cone voltage was 40 V. the desolvation gas flow was 800.0 L/h, and the cone gas flow was 50 L/h. The collision energies of the low and high functions were set to off and 10–50 V, respectively, in the MSE data-independent acquisition (DIA) mode. The mass spectrometer was calibrated, as recommended by the vendor, with sodium formate in the range of 100–1200 Da in both ionization modes. The lock mass compound, leucine-enkephaline (an external reference to the ion m/z 556.2771 in (ESI+) and 554.2615 (ESI−)), was injected continuously, switching between the sample and the reference every 45 and 60 s for ESI+ and ESI−, respectively, for a 0.5 s scan time, a flow rate of 10 µL/min, a cone voltage of 30 V, and a collision energy of 4 V. DIA were collected in continuum mode with a Masslynx™ V4.1 workstation (Waters Inc., Milford, MA, USA). Quality control samples (QCs) were performed by pooling 10 µL from each study sample and extracted, after that, introduced to the instrument with randomization to validate the system's stability."), ('CHROMATOGRAPHY_SUMMARY', "The dried extract samples were reconstituted in a 1:1 mobile phase (A: 0.1% formic acid in dH2O and B: 0.1% formic acid in (1:1) (v/v) MeOH: ACN) for an LC-MS metabolomics analysis [20]. First, 5 µL of the sample was introduced to the inlet technique, where the metabolites were separated in reversed-phase liquid chromatography using an ACQUITY UPLC XSelect (100 × 2.1 mm × 2.5 μm) column (Waters Ltd., Elstree, UK). The mobile phase flow rate was set at 300 μL/min, the column temperature maintained at 55 °C and the samples were maintained at 4 °C in the autosampler. Mobile phases A and B were pumped to the column in a gradient mode (0–16 min 95–5% A, 16–19 min 5% A, 19–20 min 5–95% A, and 20–22 min 5–95% A). The molecules eluted from the LC were positively or negatively ionized using an electrospray ionization source (ESI) and separated in the gas phase based on m/z using a Xevo G2-S QTOF mass spectrometer (Waters Ltd., Elstree, UK). The metabolites were ionized in the ESI source, where the source temperature was 150 °C, the desolvation temperature was 500 °C, and the capillary voltages were kept at 3.20 kV (ESI+) or 3 kV (ESI−). The cone voltage was 40 V. the desolvation gas flow was 800.0 L/h, and the cone gas flow was 50 L/h. The collision energies of the low and high functions were set to off and 10–50 V, respectively, in the MSE data-independent acquisition (DIA) mode. The mass spectrometer was calibrated, as recommended by the vendor, with sodium formate in the range of 100–1200 Da in both ionization modes. The lock mass compound, leucine-enkephaline (an external reference to the ion m/z 556.2771 in (ESI+) and 554.2615 (ESI−)), was injected continuously, switching between the sample and the reference every 45 and 60 s for ESI+ and ESI−, respectively, for a 0.5 s scan time, a flow rate of 10 µL/min, a cone voltage of 30 V, and a collision energy of 4 V. DIA were collected in continuum mode with a Masslynx™ V4.1 workstation (Waters Inc., Milford, MA, USA). Quality control samples (QCs) were performed by pooling 10 µL from each study sample and extracted, after that, introduced to the instrument with randomization to validate the system''s stability.")}
Sections "PROJECT" contain missmatched items: {('PROJECT_TITLE', "Comparative analysis of breast cancer metabolomes highlights fascin's central role in regulating key pathways related to disease progression"), ('PROJECT_TITLE', "Comparative analysis of breast cancer metabolomes highlights fascin''s central role in regulating key pathways related to disease progression")}
Unable to find '_DATA' block in given files.