Mass Spectrometry
Online ISSN : 2186-5116
Print ISSN : 2187-137X
Original Article
A Data Structure for Rapid Mass Spectral Searching
Daniel L. Sweeney
Author information
JOURNALS FREE ACCESS FULL-TEXT HTML

Volume 3 (2014) Issue Special_Issue_2 Pages S0035

Details
Full Text-HTML Download PDF (1704K) Contact us
Abstract

The combination of partitioning and systematic bond disconnection has been used to identify compounds from accurate-mass fragmentation data. This combination is very effective in excluding wrong answers that occur by chance. However, both processes are CPU intensive. This paper describes a novel data structure for representing molecules in a computer readable format that is conducive to very rapid mass spectral searching while still retaining the advantages of partitioning and systematic bond disconnection.

Information related to the author
© 2014 The Mass Spectrometry Society of Japan
Previous article Next article

Recently visited articles
feedback
Top