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The use of library identification and common fragments for the identification of corticosteroids in forensic samples

Ilse Becue UGent, Christof Van Poucke UGent and Carlos Van Peteghem UGent (2011) ANALYTICAL AND BIOANALYTICAL CHEMISTRY. 400(9). p.2837-2846
abstract
The detection of corticosteroids and sex steroids in samples with no content indication, which are confiscated for forensic investigation, is a challenge in doping analysis. A screening method based on the identification of androgens, estrogens, gestagens, and their esters by means of a mass spectral library, along with a fast ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) method, was recently developed in our lab for the analysis of dietary supplements. However, for forensic investigations, it is important to extend the scope of the method to corticosteroids in various matrices. Therefore, 36 corticosteroids were added to the mass spectral library, and the sample preparation step was modified so that androgens, gestagens, corticosteroids, and their esters could be analyzed with only one injection with the UPLC-MS method. A complementary tool to the existing library identification was found in the extraction of common fragment ions out of the full scan data obtained for the library search. The fragment ion with m/z 147 was found to be a good marker for the detection of steroids. Extra confirmation was obtained from the fragment ions with m/z 135 (for all steroids) and 237 (specific for corticosteroids) or from the fragment ions with m/z 77, 91, and 105. The effectiveness of this approach was evaluated on some samples previously screened for forensic investigation with thin-layer chromatography and confirmed with a targeted gas chromatography-mass spectrometry method. This study shows that the combination of the library identification and the common fragment ions approach can be a valuable tool in the detection of steroids without defining any target at the start of the analysis.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
PERFORMANCE LIQUID-CHROMATOGRAPHY, Library identification, TANDEM MASS-SPECTROMETRY, UPLC-MS, COLLISION-INDUCED DISSOCIATION, ANABOLIC-STEROIDS, SCREENING METHOD, DIETARY-SUPPLEMENTS, HUMAN URINE, GLUCOCORTICOID RESIDUES, DOPING ANALYSIS, YEAST BIOASSAY, Common fragment ions, Corticosteroids
journal title
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
Anal. Bioanal. Chem.
volume
400
issue
9
pages
2837 - 2846
Web of Science type
Article
Web of Science id
000291037800017
JCR category
CHEMISTRY, ANALYTICAL
JCR impact factor
3.778 (2011)
JCR rank
13/73 (2011)
JCR quartile
1 (2011)
ISSN
1618-2642
DOI
10.1007/s00216-011-5029-9
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1976948
handle
http://hdl.handle.net/1854/LU-1976948
date created
2012-01-03 14:18:19
date last changed
2015-06-17 09:53:35
@article{1976948,
  abstract     = {The detection of corticosteroids and sex steroids in samples with no content indication, which are confiscated for forensic investigation, is a challenge in doping analysis. A screening method based on the identification of androgens, estrogens, gestagens, and their esters by means of a mass spectral library, along with a fast ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) method, was recently developed in our lab for the analysis of dietary supplements. However, for forensic investigations, it is important to extend the scope of the method to corticosteroids in various matrices. Therefore, 36 corticosteroids were added to the mass spectral library, and the sample preparation step was modified so that androgens, gestagens, corticosteroids, and their esters could be analyzed with only one injection with the UPLC-MS method. A complementary tool to the existing library identification was found in the extraction of common fragment ions out of the full scan data obtained for the library search. The fragment ion with m/z 147 was found to be a good marker for the detection of steroids. Extra confirmation was obtained from the fragment ions with m/z 135 (for all steroids) and 237 (specific for corticosteroids) or from the fragment ions with m/z 77, 91, and 105. The effectiveness of this approach was evaluated on some samples previously screened for forensic investigation with thin-layer chromatography and confirmed with a targeted gas chromatography-mass spectrometry method. This study shows that the combination of the library identification and the common fragment ions approach can be a valuable tool in the detection of steroids without defining any target at the start of the analysis.},
  author       = {Becue, Ilse and Van Poucke, Christof and Van Peteghem, Carlos},
  issn         = {1618-2642},
  journal      = {ANALYTICAL AND BIOANALYTICAL CHEMISTRY},
  keyword      = {PERFORMANCE LIQUID-CHROMATOGRAPHY,Library identification,TANDEM MASS-SPECTROMETRY,UPLC-MS,COLLISION-INDUCED DISSOCIATION,ANABOLIC-STEROIDS,SCREENING METHOD,DIETARY-SUPPLEMENTS,HUMAN URINE,GLUCOCORTICOID RESIDUES,DOPING ANALYSIS,YEAST BIOASSAY,Common fragment ions,Corticosteroids},
  language     = {eng},
  number       = {9},
  pages        = {2837--2846},
  title        = {The use of library identification and common fragments for the identification of corticosteroids in forensic samples},
  url          = {http://dx.doi.org/10.1007/s00216-011-5029-9},
  volume       = {400},
  year         = {2011},
}

Chicago
Becue, Ilse, Christof Van Poucke, and Carlos Van Peteghem. 2011. “The Use of Library Identification and Common Fragments for the Identification of Corticosteroids in Forensic Samples.” Analytical and Bioanalytical Chemistry 400 (9): 2837–2846.
APA
Becue, I., Van Poucke, C., & Van Peteghem, C. (2011). The use of library identification and common fragments for the identification of corticosteroids in forensic samples. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 400(9), 2837–2846.
Vancouver
1.
Becue I, Van Poucke C, Van Peteghem C. The use of library identification and common fragments for the identification of corticosteroids in forensic samples. ANALYTICAL AND BIOANALYTICAL CHEMISTRY. 2011;400(9):2837–46.
MLA
Becue, Ilse, Christof Van Poucke, and Carlos Van Peteghem. “The Use of Library Identification and Common Fragments for the Identification of Corticosteroids in Forensic Samples.” ANALYTICAL AND BIOANALYTICAL CHEMISTRY 400.9 (2011): 2837–2846. Print.