Mass-MetaSite specifications


Unique identifier OMICS_28601
Name Mass-MetaSite
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input format RAW,WIFF
Biological technology Agilent Technologies
Operating system Unix/Linux
Computer skills Advanced
Version 3.3.6
Stability Stable
Registration required Yes
Maintained Yes


No version available


  • person_outline Britta Bohn

Publication for Mass-MetaSite

Mass-MetaSite citations


Software aided approach to investigate peptide structure and metabolic susceptibility of amide bonds in peptide drugs based on high resolution mass spectrometry

PLoS One
PMCID: 5665424
PMID: 29091918
DOI: 10.1371/journal.pone.0186461

[…] Here, we present experimental results of applying our approach and algorithm for the analysis of the two peptide datasets. First, Mass-MetaSite processes the DDA HRMS data and finds chromatographic peaks related to the parent and then elucidates the metabolites structure based on this HRMS data. Second, these results were upload […]


Key Targets for Multi Target Ligands Designed to Combat Neurodegeneration

Front Neurosci
PMCID: 4992697
PMID: 27597816
DOI: 10.3389/fnins.2016.00375

[…] parations (HLM and RLM, respectively) as previously reported (D'Elia et al., ). Samples were analyzed by Agilent UHD Accurate-Mass Q-TOF LC/MS and the experimental data obtained were elaborated using Mass-MetaSite, a computer assisted method for the interpretation of LC–MSMS data that combines prediction of a compound's site of metabolism (SoM) with the processing of MS spectra and rationalization […]

Mass-MetaSite institution(s)
Department of Chemistry, Medicinal Chemistry, University of Gothenburg, Gothenburg, Sweden; Discovery DMPK AstraZeneca R&D Molndal, Molndal, Sweden; Lead Molecular Design, San Cugat del Valles, Spain

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