Other Programs
A partial listing of the programs offered by PCMASPEC follows. In addition, a number of others are available for processing mass spectral data.
SIGMAS modifies the intensity sums of the ion series used in ASTM methods D 2425, D 2786, and D 2789, allowing them to be used with mass spectrometers other than the one on which they were developed, viz., a CEC 21-103 mass spectrometer. The program for D 3239 has a built in correction method.
ROBINS. This program calculates results for the (LoRes) Robinson method, in which unseparated distillates boiling in the range from 199°F to 1099°F (93°C to 593°C) are analyzed. Four saturated hydrocarbon types, twelve aromatic hydrocarbon types, three aromatic sulfur types, and six unidentified types are reported by liquid-volume percent and weight percent. The Program has been provided courtesy of American Oil Company (AMOCO). See reference below.
NLIB2IN reads a spectrum in the NIST/EPA/MSDS format and converts it to a PCMASPEC LoRes spectrum.
PC3NLIB is a companion program to the above. It accepts a LoRes spectrum and converts it into one compatible with the NIST programs used for searching a database of standard mass spectra.
Inquiries about these and other PCMASPEC programs should be addressed to Ronald D. Grigsby, Ph.D. Refer also to Program Development.
Reference
Robinson, C. J. Low-Resolution Mass Spectrometric Determination of Aromatics and Saturates in Petroleum Fractions. Anal. Chem. 1971, 43, 1425-1434.