Comparison Log
2024-06-02 06:33:07.317686
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004875/mwtab/...
Study ID:    ST002967
Analysis ID: AN004875
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', 'e. "MS-Only", positive and negative ion mode acquisitions were conducted on the samples on an Agilent 6545 quadrupole time-of-flight mass spectrometer equipped with a JetStream ionization source. The source conditions were as follows: Gas Temperature, 300 °C; Drying Gas flow, 12 L/ min; Nebulizer, 30 psi; Sheath Gas Temperature, 350 °C; Sheath Gas Flow, 10 L/ min; Vcap, 3000 V; Fragmentor, 125 V; Skimmer, 45 V; and Oct 1 RF, 750 V. The acquisition rate in MS-Only mode was 4 spectra/second, utilizing m/z 121.050873 and m/z 922.009798 as reference masses in positive ion mode, and m/z 112.985587 and m/z 1033.988109 in negative ion mode. The acquisition parameters for Auto MS/MS are similar to MS-Only mode, with the addition of Collision Energy of 10, 20, and 40; isolation width, narrow (1.3 m/z); top 6 precursors per cycle; Precursor Threshold, 2000 counts and 0.01 %; active exclusion was enabled for 1 spectrum and released after 0.12 minutes. Iterative Auto MS/MS was also utilized, where 5 consecutive injections of the pooled sample were analyzed to generate a rolling exclusion list throughout the 5 injections, where a top 6 precursor per cycle and a collision energy of 20 was used. Data Analysis Lipidomics data were analyzed using MS-DIAL (version 4.9.221218) and visualized using the R Packages SCOPE and LipidR. The curated Alignment Table from MS-DIAL can be found in the Supplemental Information. Venn diagrams were generated using the Venny 2.1 website. Total triglyceride content data were analyzed using Microsoft Excel. The data analysis parameters for MS-DIAL can be found in the Supplemental Information'), ('MS_COMMENTS', 'e. MS-Only, positive and negative ion mode acquisitions were conducted on the samples on an Agilent 6545 quadrupole time-of-flight mass spectrometer equipped with a JetStream ionization source. The source conditions were as follows: Gas Temperature, 300 °C; Drying Gas flow, 12 L/ min; Nebulizer, 30 psi; Sheath Gas Temperature, 350 °C; Sheath Gas Flow, 10 L/ min; Vcap, 3000 V; Fragmentor, 125 V; Skimmer, 45 V; and Oct 1 RF, 750 V. The acquisition rate in MS-Only mode was 4 spectra/second, utilizing m/z 121.050873 and m/z 922.009798 as reference masses in positive ion mode, and m/z 112.985587 and m/z 1033.988109 in negative ion mode. The acquisition parameters for Auto MS/MS are similar to MS-Only mode, with the addition of Collision Energy of 10, 20, and 40; isolation width, narrow (1.3 m/z); top 6 precursors per cycle; Precursor Threshold, 2000 counts and 0.01 %; active exclusion was enabled for 1 spectrum and released after 0.12 minutes. Iterative Auto MS/MS was also utilized, where 5 consecutive injections of the pooled sample were analyzed to generate a rolling exclusion list throughout the 5 injections, where a top 6 precursor per cycle and a collision energy of 20 was used. Data Analysis Lipidomics data were analyzed using MS-DIAL (version 4.9.221218) and visualized using the R Packages SCOPE and LipidR. The curated Alignment Table from MS-DIAL can be found in the Supplemental Information. Venn diagrams were generated using the Venny 2.1 website. Total triglyceride content data were analyzed using Microsoft Excel. The data analysis parameters for MS-DIAL can be found in the Supplemental Information')}