Traceable analysis of multiple-stage mass spectra through precursor-product annotations

Zusammenfassung
We present a wiki-based interface for multiple-stage mass spectra with molecular structures and their physicochemical properties. Spectra for 453 metabolites were measured on QqTOF-MSn and their ion peaks were annotated with consideration of fragmentation patterns, especially bond cleavages. The resulting information was classified on wiki pages, where related molecular formulas and their relationships were likewise accumulated. Each page is rendered with search operation(s) using formulas as keys, and related information is automatically updated as database (http://massbank.jp/), is available at http://metabolomics.jp/wiki/Index:MassBank.
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  • BibTeX
Horai, H., Arita, M., Ojima, Y., Nihei, Y., Kanaya, S. & Nishioka, T., (2009). Traceable analysis of multiple-stage mass spectra through precursor-product annotations. In: Grosse, I., Neumann, S., Posch, S., Schreiber, F. & Stadler, P. (Hrsg.), German conference on bioinformatics 2009. Bonn: Gesellschaft für Informatik e.V.. (S. 173-178).
@inproceedings{mci/Horai2009,
author = {Horai, Hisayuki AND Arita, Masanori AND Ojima, Yuya AND Nihei, Yoshito AND Kanaya, Shigehiko AND Nishioka, Takaaki},
title = {Traceable analysis of multiple-stage mass spectra through precursor-product annotations},
booktitle = {German conference on bioinformatics 2009},
year = {2009},
editor = {Grosse, Ivo AND Neumann, Steffen AND Posch, Stefan AND Schreiber, Falk AND Stadler, Peter} ,
pages = { 173-178 },
publisher = {Gesellschaft für Informatik e.V.},
address = {Bonn}
}
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ISBN: 978-3-88579-251-2
ISSN: 1617-5468
Datum: 2009
Sprache: en (en)
Typ: Text/Conference Paper
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