MASSIS specifications

Information


Unique identifier OMICS_31296
Name MASSIS
Alternative name MAss Spectral SImulation System
Software type Application/Script
Interface Graphical user interface
Restrictions to use None
Operating system Windows
Programming languages Other
Computer skills Medium
Stability Stable
Maintained Yes

Versioning


No version available

Maintainer


  • person_outline BoTao Fan

Publications for MAss Spectral SImulation System

MASSIS citations

 (2)
library_books

Computational mass spectrometry for small molecules

2013
J Cheminform
PMCID: 3648359
PMID: 23453222
DOI: 10.1186/1758-2946-5-12

[…] from experimental mass spectra. Part of MASSIMO is the Fragmentation and Rearrangement ANalyZer (FRANZ) that requires a set of structure-spectrum-pairs as input. The MAss Spectrum SImulation System (MASSIS) [,] combines cleavage knowledge (McLafferty rearrangement, retro-Diels-Alder reaction, neutral losses, oxygen migration), functional groups, small fragments (end-point and pseudo end-point fra […]

library_books

Advances in structure elucidation of small molecules using mass spectrometry

2010
PMCID: 3015162
PMID: 21289855
DOI: 10.1007/s12566-010-0015-9

[…] inatorial synthesis show common neutral mass losses when studied under electrospray conditions []. Another study used neural networks to simulate 70-eV electron ionization mass spectra of alkanes []. MASSIS/MASSIMO was a rule-based spectral simulation system for electron ionization spectra that included McLafferty rearrangements, retro-Diels-Alder reaction, neutral loss, and oxygen migration [–]. […]

MASSIS institution(s)
ITODYS, CNRS UMR 7086, Université Paris 7, Paris, France; Key Laboratory of Computer Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China
MASSIS funding source(s)
Supported by the Embassy of France in China (Grant No. 2001995), the National Centre of Scientific Research (CNRS, France, Grants Nos. 10337 and 12475), the Chinese Academy of Sciences, the Minister of Science and Technology of China (Grant No. 96-547-0-02) and the National Natural Science Foundation of China (Grants Nos. 29573148 and 29872048).

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