2016
DOI: 10.1007/s00216-016-0148-y
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Development of a GC-APCI-QTOFMS library for new psychoactive substances and comparison to a commercial ESI library

Abstract: Gas chromatography coupled to atmospheric pressure chemical ionization quadrupole time-of-flight mass spectrometry (GC-APCI-QTOFMS) was evaluated for the identification of new psychoactive substances (NPS). An in-house high mass resolution GC-APCI-QTOFMS test library was developed for 29 nitrogen-containing drugs belonging mostly to synthetic stimulants. The library was based on 12 intra-day measurements of each compound at three different collision energies, 10, 20 and 40 eV. The in-house library mass spectra… Show more

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Cited by 14 publications
(11 citation statements)
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References 19 publications
(26 reference statements)
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“…Thus the performance, in terms of equimolarity obtained by the present method for stimulants, was slightly less (91.9%) than what was reported in a previous paper (94.4%) by LC-CLND [15]. However, GC-NCD-APCI-QTOFMS allows simultaneous peak identification with high chromatographic and mass resolution [20], which is superior to the peak purity algorithm of the UV diode array detector in the LC-CLND platform. Hence NCD-APCI-QTOFMS is capable of identifying other co-eluting constituents or impurities that could interfere with the quantification.…”
Section: Advantages and Limitationscontrasting
confidence: 62%
“…Thus the performance, in terms of equimolarity obtained by the present method for stimulants, was slightly less (91.9%) than what was reported in a previous paper (94.4%) by LC-CLND [15]. However, GC-NCD-APCI-QTOFMS allows simultaneous peak identification with high chromatographic and mass resolution [20], which is superior to the peak purity algorithm of the UV diode array detector in the LC-CLND platform. Hence NCD-APCI-QTOFMS is capable of identifying other co-eluting constituents or impurities that could interfere with the quantification.…”
Section: Advantages and Limitationscontrasting
confidence: 62%
“…We obtained promising quantitative results by analyzing blood samples that were spiked post-extraction to avoid emphasizing recovery issues [10]. In addition, we were able to show that taking advantage of the accurate mass measurement of the protonated molecule and product ions by GC-APCI-QTOFMS, the obtained MS/ MS spectra were comparable to existing soft-ionization mass spectral libraries [11].…”
Section: Introductionmentioning
confidence: 83%
“…Nitrogen chemiluminescence detection (NCD) shows equimolar response to nitrogen that could be exploited in universal quantification of nitrogen containing compounds [9]. In our previous studies [10,11], we introduced a novel platform for simultaneous identification and quantification of NPS in the absence of authentic reference standards. The instrumentation consisted of gas chromatography (GC) coupled to NCD and atmospheric pressure chemical ionization quadrupole time-of-flight mass spectrometry (APCI-QTOFMS).…”
Section: Introductionmentioning
confidence: 99%
“…There are databases containing hundreds of thousands of EI spectra (e.g., the NIST Mass Spectral Library), but equivalent libraries compiling CID mass spectra are orders of magnitude smaller. For example, Mesihää et al [44] have developed an in-house GC-APCI-QTOFMS library that includes 29 psychoactive substances. However, creating spectral libraries is timeconsuming and costly.…”
Section: Evaluating Confidence In Structure Assignmentsmentioning
confidence: 99%