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Electrospray ionization tandem mass spectrometric study of the aconitines in the roots of aconite
Author(s) -
Wang Yong,
Liu Zhiqiang,
Song Fengrui,
Liu Shuying
Publication year - 2002
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.828
Subject(s) - chemistry , electrospray ionization , fragmentation (computing) , tandem mass spectrometry , aconitine , substituent , acetic acid , mass spectrometry , collision induced dissociation , benzoic acid , protonation , mass spectrum , electrospray , stereochemistry , chromatography , ion , organic chemistry , computer science , operating system
Fragmentation pathways of aconitine‐type alkaloids were investigated by electrospray ionization/ion trap multistage tandem mass spectrometry. Low‐energy collision‐induced dissociation of protonated aconitines follows a dominant first step, the elimination of the C 8 ‐substituent as acetic acid or fatty acid in MS 2 spectra. Successive losses of 1–4 CH 3 OH molecules, 1–3 H 2 O, CO, benzoic acid, and CH 3 or C 2 H 5 (N‐substituents) are all fragmentation pathways observed in MS 3 and MS 4 spectra. By applying knowledge of these fragmentation pathways to the aconitines in the ethanolic extract of aconite roots, all the known aconitines were detected and also 23 unknown aconitine‐type alkaloids, in which the lipo‐alkaloids containing residues of 15C, 17C and 19C saturated or unsaturated fatty acids were characterized. These odd‐carbon‐number fatty acid substituents have not been reported previously. Copyright © 2002 John Wiley & Sons, Ltd.