Automatic reduction of high-resolution mass spectral data. Computer techniques for improved mass-measuring accuracy and resolution

R Venkataraghavan, FW McLafferty… - Analytical …, 1967 - ACS Publications
An automatic system makes possible the rapid and ac-curate preparation of element maps
from high-resolution mass spectra recorded on photoplates. By meas-uring transmittance …

Chemical information from computer-processed high resolution mass spectral data. Correction of intensities and conversion from isotopic species to equivalent …

RM Hilmer, JW Taylor - Analytical Chemistry, 1974 - ACS Publications
A significant reduction in the number of possible formulas corresponding to peaks in a high-
resolution mass spec-trum is achieved by converting the isotopic formulas to a single …

A small on‐line computer system for high‐resolution mass spectrometers

RJ Klimowski, R Venkataraghavan… - Organic Mass …, 1970 - Wiley Online Library
A system is described in which a medium‐sized double‐focusing mass spectrometer is
coupled on‐line to a small (4K memory words) computer. The system can produce complete …

Computer methods in analytical mass spectrometry. Development of programs for analysis of low-resolution mass spectra

LR Crawford, JD Morrison - Analytical Chemistry, 1971 - ACS Publications
A computer program which analyzes low resolution mass spectra of organic compounds of
molecular weight less than 200 is described. The program operates ab initio, that is, it does …

Use of computer techniques in high-resolution mass spectrometry

DD Tunnicliff, PA Wadsworth - Analytical Chemistry, 1968 - ACS Publications
Three sequential computer programs have been developed for processing data obtained on
a high resolution mass spectrometer. Although designed for spec-tral data recorded on a …

Computational Methods for Resolution of Mass Spectra.

DG Luenberger, UE Dennis - Analytical Chemistry, 1966 - ACS Publications
Computer aided mathematical techniques for the improvement of mass spectrometer data
resolution are pre-sented and discussed. Assuming that an output spectrum consists of a …

Computer methods in analytical mass spectrometry. Empirical identification of molecular class

LR Crawford, JD Morrison - Analytical Chemistry, 1968 - ACS Publications
CONCLUSION If a catalog of complete mass spectra can be stored, the problem of retrieval
and identification of a given spectrum is almost a trivial one. Even when using the ASTM …

Fast Scan High Resolution Mass Spectrometry. Operating Parameters and Its Tandem Use with Gas Chromatography.

WJ McMurray, BN Greene, SR Lipsky - Analytical Chemistry, 1966 - ACS Publications
A technique has been developed whereby high resolution mass spectra may be readily
obtained from fast magnetic scans of gas chromatographic effluents. With resolving powers …

Program ELAL. Interactive minicomputer based elemental analysis of low and medium resolution mass spectra

JE Evans, NB Jurinski - Analytical Chemistry, 1975 - ACS Publications
In recent years, the popularity ofthe combination gas chromatograph-mass spectrometer
(GC-MS) has increased markedly. This is due, inpart, to the more stringent regulations set …

Computer‐aided interpretation of mass spectra

R Venkataraghavan, FW McLafferty… - Organic Mass …, 1969 - Wiley Online Library
A system is described in which computer techniques are used to carry out major steps in the
procedure for interpretation of high‐resolution mass spectral data. These steps include …