ISSN:
1052-9306
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A simple, efficient algorithm, MDAL (Mass Defect Algorithm), has been developed which calculates all possible empirical formulas for each accurate mass in the spectrum. This algorithm incorporates heteroatom parameters only, while the terms for C and H are eliminated. This significantly shortens the time required for calculation, especially when high-mass peaks are considered.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/bms.1200130407