Computer-aided interpretation of mass spectra (Part XIV). STIRS prediction of rings-plus-double-bonds values. Dayringer, H. E. & McLafferty, F. W. Org Mass Spectrom, 12(1):53–54, John Wiley & Sons, Ltd., 1977. doi abstract bibtex The number of rings-plus-double-bonds (R + DB) in an unknown molecule can be predicted from its mass spectrum using the \textquoteleftSelf-Training Interpretive and Retrieval System\textquoteright.2 The average R + DB value of the 15 compounds selected by the overall match-factor (highest MF11.0 values) predicts the R + DB value of the unknown within $±$1 of the correct value for predictions between 0 and 4 in 87% of the cases, and within $±$2 for predictions between 5 and 11 for 77% of the cases.
@Article{dayringer77computer-aided,
author = {Dayringer, Henry E. and McLafferty, F. W.},
title = {Computer-aided interpretation of mass spectra (Part XIV). {STIRS} prediction of rings-plus-double-bonds values},
journal = {Org Mass Spectrom},
year = {1977},
volume = {12},
number = {1},
pages = {53--54},
issn = {1096-9888},
abstract = {The number of rings-plus-double-bonds (R + DB) in an unknown molecule can be predicted from its mass spectrum using the {\textquoteleft}Self-Training Interpretive and Retrieval System{\textquoteright}.2 The average R + DB value of the 15 compounds selected by the overall match-factor (highest MF11.0 values) predicts the R + DB value of the unknown within $\pm$1 of the correct value for predictions between 0 and 4 in 87\% of the cases, and within $\pm$2 for predictions between 5 and 11 for 77\% of the cases.},
doi = {10.1002/oms.1210120115},
file = {:1977/DayringerMcLafferty_ComputerAidedPrediction_MassSpectrometry_1977.pdf:PDF},
keywords = {rdbe},
owner = {kaidu},
publisher = {John Wiley \& Sons, Ltd.},
timestamp = {2014.05.06},
}
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