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Published in: Forensic Toxicology 1/2020

Open Access 01-01-2020 | Short Communication

Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry

Authors: Tadashi Ogawa, Kei Zaitsu, Tetsuo Kokaji, Kayako Suga, Fumio Kondo, Masae Iwai, Takayoshi Suzuki, Akira Ishii, Hiroshi Seno

Published in: Forensic Toxicology | Issue 1/2020

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Abstract

Purpose

The present study aims to develop a forensic toxicological library to identify 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (LC–QTOF-MS/MS).

Methods

For setting up the library of product ion spectra, individual substances (31 plant toxins, 7 mushroom toxins, 5 marine toxins, 5 frog venoms, 4 mycotoxins, and 4 substances derived from plants) were analyzed by LC–QTOF-MS/MS with positive and negative ionization. The product ion spectra were acquired at the collision energies (CEs) of 20, 35, and 50 eV in single enhanced product ion mode and then in collision energy spread mode in which the CE ramp range was set to 35 ± 15 eV.

Results

To test the performance of the library, human blood plasma samples were spiked with a mixture of lycorine and domoic acid, extracted by acetonitrile deproteinization and analyzed by LC–QTOF-MS/MS. Identification by our library search could be achieved for these toxins at the purity scores of 79.1 and 67.2, respectively. The method was also applied to postmortem blood from a death case with an aconite intake, and showed that four toxins in an aconite could be identified in the blood sample at the purity scores of 54.6–60.3.

Conclusions

This library will be more effective for the screening of natural toxic substances in routine forensic toxicological analysis. To our knowledge, there are no reports dealing with development of library for natural toxic substances by LC–QTOF-MS/MS.
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Metadata
Title
Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry
Authors
Tadashi Ogawa
Kei Zaitsu
Tetsuo Kokaji
Kayako Suga
Fumio Kondo
Masae Iwai
Takayoshi Suzuki
Akira Ishii
Hiroshi Seno
Publication date
01-01-2020
Publisher
Springer Singapore
Published in
Forensic Toxicology / Issue 1/2020
Print ISSN: 1860-8965
Electronic ISSN: 1860-8973
DOI
https://doi.org/10.1007/s11419-019-00506-w

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