Comparison Log
2025-03-23 07:35:35.466823
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006137/mwtab/...
Study ID:    ST003738
Analysis ID: AN006137
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', "The mass spectrometry signals were processed following the procedure described by Armitage and colleagues (DOI:10.1128/AAC.02095-17). Data files generated from the instrumental analysis were processed using Agilent's Mass Hunter Profinder (B.08.00), a software employed for deconvolution, background noise removal, and integration of features obtained in the kidney samples of mice.The significant compounds obtained in the LC-MS analysis were annotated by combining information from spectral libraries (databases) and the data generated during LC-MS/MS (tandem mass spectrometry) experiments in both positive and negative ionization modes. The mass acquisition range was set in the interval of 50 to 3000 m/z for both ionizations. The identities were fragmented at 20 and 40 eV, and 1.5 µL of quality control samples were injected for each method developed in positive and negative ionization modes. Various spectral libraries were used for the annotation of unknown identities. Data were collected in full scan mode from 100 to 1200 m/z, with a scan rate of 1.02 scans/s. The capillary voltage was set to 3500 V; the drying gas flow rate was 12 L/min at 290°C and gas nebulizer 45 psi, fragmentor voltage 175 V, and octopole radio frequency voltage (OCT RF Vpp) 750 V. Two reference masses were used over the course of the whole analysis: m/z 121.0509 (protonated purine) and m/z 922.0098 (protonated hexakis, (1H,1H,3H-tetrafluoropropoxy)phosphazine (HP-921)). These masses were continuously infused into the system to provide constant mass correction. Samples were randomly analyzed throughout the run."), ('MS_COMMENTS', "The mass spectrometry signals were processed following the procedure described by Armitage and colleagues (DOI:10.1128/AAC.02095-17). Data files generated from the instrumental analysis were processed using Agilent''s Mass Hunter Profinder (B.08.00), a software employed for deconvolution, background noise removal, and integration of features obtained in the kidney samples of mice.The significant compounds obtained in the LC-MS analysis were annotated by combining information from spectral libraries (databases) and the data generated during LC-MS/MS (tandem mass spectrometry) experiments in both positive and negative ionization modes. The mass acquisition range was set in the interval of 50 to 3000 m/z for both ionizations. The identities were fragmented at 20 and 40 eV, and 1.5 µL of quality control samples were injected for each method developed in positive and negative ionization modes. Various spectral libraries were used for the annotation of unknown identities. Data were collected in full scan mode from 100 to 1200 m/z, with a scan rate of 1.02 scans/s. The capillary voltage was set to 3500 V; the drying gas flow rate was 12 L/min at 290°C and gas nebulizer 45 psi, fragmentor voltage 175 V, and octopole radio frequency voltage (OCT RF Vpp) 750 V. Two reference masses were used over the course of the whole analysis: m/z 121.0509 (protonated purine) and m/z 922.0098 (protonated hexakis, (1H,1H,3H-tetrafluoropropoxy)phosphazine (HP-921)). These masses were continuously infused into the system to provide constant mass correction. Samples were randomly analyzed throughout the run.")}
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