SIMULATION OF ISOTOPIC PEAK PATTERNS FOR HIGH-MASS OLIGOMERS AND POLYNUCLIDIC TRANSITION-METAL SALTS
UNSPECIFIED. (1991) SIMULATION OF ISOTOPIC PEAK PATTERNS FOR HIGH-MASS OLIGOMERS AND POLYNUCLIDIC TRANSITION-METAL SALTS. AUSTRALIAN JOURNAL OF CHEMISTRY, 44 (6). pp. 799-807. ISSN 0004-9425Full text not available from this repository.
An algorithm has been developed for rapidly and accurately simulating isotopic peak patterns of such diverse substances as mid- to high-mass-range peptides, e.g. bovine insulin (C254H377N65O75S6) and ribonuclease (C587H909N171O197S12), large polymerized hydrocarbons such as the styrene oligomer (C804H810), and polynuclidic transition-metal salts such as caesium tetrathiotungstate(VI) (Cs2WS4). The program requires less than 4 kb of random access memory (RAM); it is rapid, and not restricted by the size of the molecule ion. To calculate the experimentally observed peaks of bovine insulin within 2% error required 30 s on an IBM PC-XT 286 microcomputer fitted with a math coprocessor; similarly, all peaks of the styrene oligomer took 68 s on a Commodore 10-II personal computer. A fully documented, highly compact, version of the algorithm is available in either Fortran-77 or GW-Basic.
|Item Type:||Journal Article|
|Subjects:||Q Science > QD Chemistry|
|Journal or Publication Title:||AUSTRALIAN JOURNAL OF CHEMISTRY|
|Publisher:||C S I R O PUBLICATIONS|
|Number of Pages:||9|
|Page Range:||pp. 799-807|
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