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Scientific article
Open access
English

Innovative methodology to transfer conventional GC-MS heroin profiling to UHPLC-MS/MS

Published inAnalytical & bioanalytical chemistry, vol. 399, no. 8, p. 2719-2730
Collection
  • Open Access - Licence nationale Springer
Publication date2011
Abstract

Nowadays, in forensic laboratories, heroin profiling is frequently carried out by gas chromatography coupled with mass spectrometry (GC-MS). This analytical technique is well established, provides good sensitivity and reproducibility, and allows the use of large databases. Despite those benefits, recently introduced analytical techniques, such as ultra-high-pressure liquid chromatography (UHPLC), could offer better chromatographic performance, which needs to be considered to increase the analysis throughput for heroin profiling. With the latter, chromatographic conditions were optimized through commercial modeling software and two atmospheric pressure ionization sources were evaluated. Data obtained from UHPLC–MS/MS were thus transferred, thanks to mathematical models to mimic GC-MS data. A calibration and a validation set of representative heroin samples were selected among the database to establish a transfer methodology and assess the models' abilities to transfer using principal component analysis and hierarchical classification analysis. These abilities were evaluated by computing the frequency of successful classification of UHPLC–MS/MS data among GC-MS database. Seven mathematical models were tested to adjust UHPLC–MS/MS data to GC-MS data. A simplified mathematical model was finally selected and offered a frequency of successful transfer equal to 95%.

Keywords
  • Heroin profiling
  • Principal component analysis
  • Hierarchical classification analysis
  • UHPLC–MS/MS
  • Multiple linear regression
  • Transfer
Citation (ISO format)
DEBRUS, Benjamin et al. Innovative methodology to transfer conventional GC-MS heroin profiling to UHPLC-MS/MS. In: Analytical & bioanalytical chemistry, 2011, vol. 399, n° 8, p. 2719–2730. doi: 10.1007/s00216-010-4282-7
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Article (Published version)
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Identifiers
ISSN of the journal1618-2642
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Technical informations

Creation03/03/2011 3:09:00 PM
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