Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database

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Standard

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.

I: Journal of Analytical Toxicology, Bind 44, Nr. 9, 11.2020, s. 1047-1051.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Cüpper, M, Dalsgaard, PW & Linnet, K 2020, 'Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database', Journal of Analytical Toxicology, bind 44, nr. 9, s. 1047-1051. https://doi.org/10.1093/jat/bkaa028

APA

Cüpper, M., Dalsgaard, P. W., & Linnet, K. (2020). Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database. Journal of Analytical Toxicology, 44(9), 1047-1051. https://doi.org/10.1093/jat/bkaa028

Vancouver

Cüpper M, Dalsgaard PW, Linnet K. Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database. Journal of Analytical Toxicology. 2020 nov.;44(9):1047-1051. https://doi.org/10.1093/jat/bkaa028

Author

Cüpper, Maria ; Dalsgaard, Petur Weihe ; Linnet, Kristian. / Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database. I: Journal of Analytical Toxicology. 2020 ; Bind 44, Nr. 9. s. 1047-1051.

Bibtex

@article{dd53290446a14a888085265b67967115,

title = "Identification of new psychoactive substances in seized material using UHPLC-QTOF-MS and an online mass spectral database",

abstract = "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.",

author = "Maria C{\"u}pper and Dalsgaard, {Petur Weihe} and Kristian Linnet",

year = "2020",

month = nov,

doi = "10.1093/jat/bkaa028",

language = "English",

volume = "44",

pages = "1047--1051",

journal = "Journal of Analytical Toxicology",

issn = "0146-4760",

publisher = "Oxford University Press",

number = "9",

}

RIS

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

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

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