Formation of odd‐electron product ions in collision‐induced fragmentation of electrospray‐generated protonated cathinone derivatives: aryl α‐primary amino ketones
作者： Emilia Fornal
DOI: 10.1002/RCM.6635
关键词:
摘要: RATIONALE Modification of the even-electron rule for fragmentation reactions protonated molecules (even electron ions) may be necessary to interpret liquid chromatography/mass spectrometry (LC/MS) spectra aryl α-primary amino ketones as new designer drugs. METHODS Collision-induced 38 cathinone derivatives generated by electrospray ionisation (ESI) was examined hybrid quadrupole time-of-flight mass (Q-TOF MS). RESULTS Q-TOF MS revealed that odd-electron product ions are often formed collision-induced dissociation (CID) ketones, contradicting rule. Radical cations were among most characteristic and abundant in CID-MS/MS spectra, usually represented basic peaks spectra. CONCLUSIONS To help elucidate correct structures ketone drugs LC/MS/MS, it is essential include data interpretation rules. Even odd numbers valence electrons should allowed interpretation.
sci-hub.se 参考文章(20)
Lotte A. Reitzel, Petur W. Dalsgaard, Irene B. Müller, Claus Cornett, Identification of ten new designer drugs by GC‐MS, UPLC‐QTOF‐MS, and NMR as part of a police investigation of a Danish Internet company Drug Testing and Analysis. ,vol. 4, pp. 342- 354 ,(2012) , 10.1002/DTA.358
Yuya Wang, Xiaoyan Chen, Qiang Li, Dafang Zhong, Metabolite identification of arbidol in human urine by the study of CID fragmentation pathways using HPLC coupled with ion trap mass spectrometry. Journal of Mass Spectrometry. ,vol. 43, pp. 1099- 1109 ,(2008) , 10.1002/JMS.1394
John P. Kelly, Cathinone derivatives: A review of their chemistry, pharmacology and toxicology Drug Testing and Analysis. ,vol. 3, pp. 439- 453 ,(2011) , 10.1002/DTA.313
Katerina Klagkou, Frank Pullen, Mark Harrison, Andy Organ, Alistair Firth, G. John Langley, Fragmentation pathways of sulphonamides under electrospray tandem mass spectrometric conditions Rapid Communications in Mass Spectrometry. ,vol. 17, pp. 2373- 2379 ,(2003) , 10.1002/RCM.1201
Ruri Kikura-Hanajiri, Nahoko Uchiyama, Maiko Kawamura, Yukihiro Goda, Changes in the prevalence of synthetic cannabinoids and cathinone derivatives in Japan until early 2012 Forensic Toxicology. ,vol. 31, pp. 44- 53 ,(2013) , 10.1007/S11419-012-0165-2
K CHEN, N RANNULU, Y CAI, P LANE, A LIEBL, B REES, C CORRE, G CHALLIS, R COLE, Unusual odd-electron fragments from even-electron protonated prodiginine precursors using positive-ion electrospray tandem mass spectrometry Journal of the American Society for Mass Spectrometry. ,vol. 19, pp. 1856- 1866 ,(2008) , 10.1016/J.JASMS.2008.08.002
Lian Zhou, Robert D. Voyksner, Dhiren R. Thakker, Chad E. Stephens, Mariappan Anbazhagan, David W. Boykin, James E. Hall, Richard R. Tidwell, Characterizing the fragmentation of 2,5-bis (4-amidinophenyl)furan-bis-O-methylamidoxime and selected metabolites using ion trap mass spectrometry Rapid Communications in Mass Spectrometry. ,vol. 16, pp. 1078- 1085 ,(2002) , 10.1002/RCM.676
Dariusz Zuba, Identification of cathinones and other active components of ‘legal highs’ by mass spectrometric methods Trends in Analytical Chemistry. ,vol. 32, pp. 15- 30 ,(2012) , 10.1016/J.TRAC.2011.09.009
Jonathan P. Williams, Nico M. M. Nibbering, Brian N. Green, Vibhuti J. Patel, James H. Scrivens, Collision-induced fragmentation pathways including odd-electron ion formation from desorption electrospray ionisation generated protonated and deprotonated drugs derived from tandem accurate mass spectrometry. Journal of Mass Spectrometry. ,vol. 41, pp. 1277- 1286 ,(2006) , 10.1002/JMS.1091
Christine Eckers, John J. Monaghan, Jean-Claude Wolff, Fragmentation of trimethoprim and other compounds containing alkoxy-phenyl groups in electrospray ionisation tandem mass spectrometry. European Journal of Mass Spectrometry. ,vol. 11, pp. 73- 82 ,(2005) , 10.1255/EJMS.719