A third approach is to align the "
Base Peak" chromatograms, as performed by SIEVE from Thermo Scientific, and a fourth approach is an alignment using MS/MS scan times (identified peptides), such as that found in IDEAL-Q [24].
Mass spectral data of (2) indicated that this compound was a nonadienol which readily dehydrated to give an ion at m/e 122 and other prominent ions at m/e 67, 93, 79, 55 and 41; mass spectrum of (3) resembles a sesquiterpene with molecular ion of m/z 204, with characteristic ions at 49 (
base peak), 84, 105, 133, 147, 161, 175 and 189; the mass spectrum of peak (7) showed characteristic ions at 49 (
base peak), 93, 107, 119, 135, 161, 189 and molecular ion m/z 204; peak (8) displayed a molecular ion of m/z 204, with characteristic ions at 41, 91, 197, 135 (bases peak); and peak (9) had a molecular ion of m/z 204, with characteristic ions at 49 (
base peak), 84, 105, 133, 147, 161, 175 and 189.