Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database
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Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database. / Cüpper, Maria; Dalsgaard, Petur Weihe; Linnet, Kristian.
In: Journal of Analytical Toxicology, Vol. 44, No. 9, 11.2020, p. 1047-1051.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database
AU - Cüpper, Maria
AU - Dalsgaard, Petur Weihe
AU - Linnet, Kristian
N1 - © The Author(s) 2020. Published by Oxford University Press. All rights reserved. For permissions, please email: journals.permissions@oup.com.
PY - 2020/11
Y1 - 2020/11
N2 - The unpredictable pharmacological and toxicological effects associated with the recreational use of new psychoactive substances (NPS) represent a threat to the public health. Analysts are constantly facing a challenge to identify these designer drugs. In this article, five seized samples were submitted for analysis using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS). To tentatively identify the NPS in the samples, the potential usage of an online mass spectral database (HighResNPS.com) was explored by searching the exact mass of the precursor ion and evaluating the fragmentation profile. This approach successfully identified a suspected candidate compound present in three of the five samples. However, conclusive identification of the remaining two was not possible, due to indistinguishable fragmentation profiles of positional isomers. Therefore, complementary analytical methodologies are of paramount importance. In light of the above, HighResNPS.com is a useful tool in presumptively identifying an NPS without a reference standard.
AB - The unpredictable pharmacological and toxicological effects associated with the recreational use of new psychoactive substances (NPS) represent a threat to the public health. Analysts are constantly facing a challenge to identify these designer drugs. In this article, five seized samples were submitted for analysis using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS). To tentatively identify the NPS in the samples, the potential usage of an online mass spectral database (HighResNPS.com) was explored by searching the exact mass of the precursor ion and evaluating the fragmentation profile. This approach successfully identified a suspected candidate compound present in three of the five samples. However, conclusive identification of the remaining two was not possible, due to indistinguishable fragmentation profiles of positional isomers. Therefore, complementary analytical methodologies are of paramount importance. In light of the above, HighResNPS.com is a useful tool in presumptively identifying an NPS without a reference standard.
U2 - 10.1093/jat/bkaa028
DO - 10.1093/jat/bkaa028
M3 - Journal article
C2 - 32232329
VL - 44
SP - 1047
EP - 1051
JO - Journal of Analytical Toxicology
JF - Journal of Analytical Toxicology
SN - 0146-4760
IS - 9
ER -
ID: 243335322