PMID- 20953866
OWN - NLM
STAT- MEDLINE
DCOM- 20110601
LR  - 20191210
IS  - 1618-2650 (Electronic)
IS  - 1618-2642 (Linking)
VI  - 399
IP  - 8
DP  - 2011 Mar
TI  - Innovative methodology to transfer conventional GC-MS heroin profiling to 
      UHPLC-MS/MS.
PG  - 2719-30
LID - 10.1007/s00216-010-4282-7 [doi]
AB  - 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%.
FAU - Debrus, B
AU  - Debrus B
AD  - Laboratory of Analytical Chemistry, Department of Pharmacy, CIRM, University of 
      Liege, Belgium. b.debrus@ulg.ac.be
FAU - Broseus, J
AU  - Broseus J
FAU - Guillarme, D
AU  - Guillarme D
FAU - Lebrun, P
AU  - Lebrun P
FAU - Hubert, P
AU  - Hubert P
FAU - Veuthey, J-L
AU  - Veuthey JL
FAU - Esseiva, P
AU  - Esseiva P
FAU - Rudaz, S
AU  - Rudaz S
LA  - eng
PT  - Evaluation Study
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20101017
PL  - Germany
TA  - Anal Bioanal Chem
JT  - Analytical and bioanalytical chemistry
JID - 101134327
RN  - 70D95007SX (Heroin)
SB  - IM
MH  - Calibration
MH  - Chromatography, High Pressure Liquid/*methods/standards
MH  - Gas Chromatography-Mass Spectrometry
MH  - Heroin/*analysis
MH  - Models, Theoretical
MH  - Principal Component Analysis
MH  - Tandem Mass Spectrometry/*methods/standards
EDAT- 2010/10/19 06:00
MHDA- 2011/06/02 06:00
CRDT- 2010/10/19 06:00
PHST- 2010/08/03 00:00 [received]
PHST- 2010/09/29 00:00 [accepted]
PHST- 2010/09/24 00:00 [revised]
PHST- 2010/10/19 06:00 [entrez]
PHST- 2010/10/19 06:00 [pubmed]
PHST- 2011/06/02 06:00 [medline]
AID - 10.1007/s00216-010-4282-7 [doi]
PST - ppublish
SO  - Anal Bioanal Chem. 2011 Mar;399(8):2719-30. doi: 10.1007/s00216-010-4282-7. Epub 
      2010 Oct 17.