Discovery of characteristic chemical markers for classification of aconite herbs by chromatographic profile and probabilistic neural network

Yang, Hua; Gao, Wen; Liu, Lei; Liu, Ke; Liu, E‐Hu; Qi, Lian‐Wen; Li, Ping

doi:10.1016/j.jpba.2015.06.021

Cited by 9 publications

(3 citation statements)

References 31 publications

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“…To find out the diagnostic ion for toxic aconite alkaloids, 12 reference standards, including nine C 19 ‐diterpenoid (three DDAs, three MDAs, three ADAs) and three C 20 ‐diterpenoid alkaloids, were infusion analyzed by Q‐TOF‐MS (Figure ). The fragmentation pathways and the diagnostic ions were similar to the previous reports . All of C 19 ‐diterpenoid alkaloids (Figure A–F) showed simultaneous or successive neutral losses of 32 Da (CH 3 OH) and/or 18 Da (H 2 O) from the precursor ion.…”

Section: Resultssupporting

confidence: 85%

“…The compounds with molecular weight greater than 800 were identified as the lipo‐alkaloids, which contained a benzoyl group at C 14 , and a palmitoleic, linoleic or palmitic acyl group at C 8 position. All compounds could be quickly characterized by comparing their product ion and fragmentation pathways with the previous reports . Finally, 24 benzoyl‐containing alkaloids were identified, including ten DDAs (peaks 5, 8, 10–17), seven MDAs (peaks 1–4, 6–7, 9), and seven lipo‐alkaloids (peaks 18–24), detailed in Table .…”

Section: Resultsmentioning

confidence: 96%

“…Aconite alkaloids mainly belong to C 19 ‐diterpenoid and C 20 ‐diterpenoid type. Among them, alkaloids belonging to C 19 ‐diterpenoid skeleton can be divided into several types according to the substituent at positions 8 and 14 of the skeleton, such as diester (benzoyl group at C 14 and acetyl group at C 8 ), lipo (benzoyl group at C 14 and fatty acid acyl group at C 8 ), monoester (benzoyl group at C 14 and hydroxy at C 8 ), and alkyloyamine (hydroxy at C 14 and C 8 ) diterpenoid alkaloids (abbreviated as DDAs, LPA, MDAs, and ADAs, respectively, Supporting Information Figure S1) .…”

Section: Resultsmentioning

confidence: 99%

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Targeted profiling and relative quantification of benzoyl diterpene alkaloids in Aconitum roots by using LC–MS/MS with precursor ion scan

Gao

Liu

et al. 2018

J of Separation Science

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Benzoyl aconite alkaloids have myocardial protective effects at a low dose and produce toxic effects at high dose. Due to lack of enough reference compounds, most of the benzoyl alkaloids had few concerns, except the typical ones, i.e. aconitine, mesaconitine, and hypaconitine. To rapidly screen out and quantify benzoyl alkaloids, a high performance liquid chromatography combined with tandem mass spectrometry was proposed based on precursor ion scanning mode. First, a diagnostic ion at m/z 105 corresponding to benzoyl group was observed by using tandem mass spectrometry, which could be used for the rapid identification of benzoyl alkaloids. The targeted screening of these alkaloids was then conducted by using precursor ion scan of characteristic ion at m/z 105. Shengfuzi (the lateral root of A. carmichaelii) was taken as example, and 24 benzoyl-containing alkaloids were identified. The six major alkaloids including aconitine, mesaconitine, hypaconitine, benzoylaconine, benzoylmesaconine, and benzoylhypaconine were determined in the precursor ion scan mode by the standard curve method. Reliable linearity, sensitivity, precision, accuracy, and repeatability were obtained and validated. Then the relative response factors between these six analytes were calculated, which were not more than two times using any alkaloid as reference. Thus, the other 18 alkaloids lacking reference compounds were relatively quantified. This approach provides a useful tool for rapid identification and quantitative analysis of toxic benzoyl alkaloids, and also an efficient method for the safety assessment of Aconitum roots.

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Section: Resultssupporting

confidence: 85%

Section: Resultsmentioning

confidence: 96%

Section: Resultsmentioning

confidence: 99%

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