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 …

Computer‐aided interpretation of mass spectra. Increased information from neutral loss data

HE Dayringer, FW McLafferty… - Organic Mass …, 1976 - Wiley Online Library
The performance of the [Self‐Training Interpretive and Retrieval System] for unknown mass
spectra has been improved by modifications to the data classes utilizing information …

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 …

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 …

Computer‐aided interpretation of mass spectra. Information on substructural probabilities form stirs

HE Dayringer, GM Pesyna… - Organic Mass …, 1976 - Wiley Online Library
The capability of the 'Self‐Training Interpretive and Retrieval System'has been extended so
that the compounds selected as providing the best match in each data class to the unknown …

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 …

Conversational mass spectral retrieval system and its use as an aid in structure determination

SR Heller - Analytical Chemistry, 1972 - ACS Publications
An interactive, conversational mass spectral retrieval system consisting of a collection of
computer programs designed to give immediate retrieval of mass spectral data is described …

Program for elemental analysis using low or medium resolution mass spectra

PE Kavanagh - Organic Mass Spectrometry, 1980 - Wiley Online Library
A program, called ELANAL, has been written in basic which computes all possible empirical
formulae for a molecular ion or a fragment ion containing up to eleven common elements …

Computer‐aided interpretation of mass spectra. Increased information form characteristic ion

HE Dayringer, FW McLafferty - Organic Mass Spectrometry, 1976 - Wiley Online Library
The characteristic ion data classes of the 'Self‐Training Interpretive and Retrieval
System'have been modified to test the effect of number of ions, even‐and odd‐electron ion …

Computer-aided interpretation of mass spectra. III. Self-training interpretive and retrieval system

KS Kwok, R Venkataraghavan… - Journal of the American …, 1973 - ACS Publications
A self-training system is described for computer interpretation of mass spectra which
utilizesdirectly data of all available reference spectra, and does not require prior spectra …