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Structural elucidation of monoterpene oxidation products by ion trap fragmentation using on‐line atmospheric pressure chemical ionisation mass spectrometry in the negative ion mode
Author(s) -
Warscheid Bettina,
Hoffmann Thorsten
Publication year - 2001
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.504
Subject(s) - chemistry , atmospheric pressure chemical ionization , mass spectrometry , ion trap , fragmentation (computing) , ozonolysis , chemical ionization , monoterpene , ion , analytical chemistry (journal) , ion source , mass spectrum , atmospheric pressure , terpene , limonene , chromatography , ionization , organic chemistry , computer science , geology , oceanography , operating system , essential oil
Abstract Based on ion trap mass spectrometry, an on‐line method is described which provides valuable information on the molecular composition of structurally complex organic aerosols. The investigated aerosols were generated from the gas‐phase ozonolysis of various C 10 H 16 ‐terpenes (α‐pinene, β‐pinene, 3‐carene, sabinene, limonene), and directly introduced into the ion source of the mass spectrometer. Negative ion chemical ionisation at atmospheric pressure (APCI(−)) enabled the detection of multifunctional carboxylic acid products by combining inherent sensitivity and molecular weight information. Sequential low‐energy collision‐induced product ion fragmentation experiments (MS n ) were performed in order to elucidate characteristic decomposition pathways of the compounds. Dicarboxylic acids, oxocarboxylic acids and hydroxyketocarboxylic acid products could be clearly distinguished by multistage on‐line MS. Furthermore, sabinonic acid and two C 9 ‐ether compounds were tentatively identified for the first time by applying on‐line APCI(−)‐MS n . Copyright © 2001 John Wiley & Sons, Ltd.