To the Editor— We introduce a web-enabled mass spectrometry (MS) search engine, named Mass Spectrometry Search Tool (MASST; https://masst.ucsd.edu). By enabling searches of all small-molecule tandem MS (MS/MS) data in public metabolomics repositories, we posit that MASST will unlock ...
Mass spectrometry searches using MASSTdoi:10.1038/s41587-019-0375-9Mingxun WangAlan K. JarmuschFernando VargasAlexander A. AksenovPieter C. DorresteinNature Biotechnology
Mass spectrometry searches using MASST. Nat. Biotechnol. 38, 23–26 (2020). CAS PubMed PubMed Central Google Scholar van der Hooft, J. J. J., Wandy, J., Barrett, M. P., Burgess, K. E. V. & Rogers, S. Topic modeling for untargeted substructure exploration in metabolomics. Proc...
BIOMEDICAL APPLICATIONS | Gas Chromatography–Mass Spectrometry V. Garner, in Encyclopedia of Separation Science, 2000 Applications Figure 1 shows typical results from a GC–MS study using a bench-top quadrupole system. The sample was obtained by extraction of serum taken after administration of an ...
When small molecule unknowns don't provide a spectral hit, how can we still identify them? Connect your lab to drive more insights from your data Small molecule characterization and identification clouding your decision making? C...
Mass spectral libraries and databases provide the opportunity to automatically analyze large amounts of MSn data and identify many small-molecule components.
Figure 13.3.Protein mass spectrometry (MS) platforms including nanoflow-electrospray tandem MS (nLC/MS/MS) (top) and matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) MS (bottom). Using nLC/MS/MS, peptides are fractionated via inline reverse-phase chromatography before ionizi...
It is proposed according to the invention, a process for mass spectrometry in tandem without selection of the primary mass having the following steps: - it generates a spectrum of the primary mass without separation, it is determined for each of the peaks of the primary mass that it contains...
The identification of small molecules from mass spectrometry (MS) data remains a major challenge in the interpretation of MS data. This review covers the computational aspects of identifying small molecules, from the identification of a compound searchin
Mass spectrometry searches using MASST. Nat. Biotechnol. 38, 23–26 (2020). Article PubMed PubMed Central Google Scholar Böcker, S. & Dührkop, K. Fragmentation trees reloaded. J. Cheminform. 8, 5 (2016). Article PubMed PubMed Central MATH Google Scholar Stravs, M. A., Dühr...