scholarly journals Fragmentation pathways of drugs of abuse and their metabolites based on QTOF MS/MS and MSE accurate-mass spectra

2011 ◽  
Vol 46 (9) ◽  
pp. 865-875 ◽  
Author(s):  
Lubertus Bijlsma ◽  
Juan V. Sancho ◽  
Félix Hernández ◽  
Wilfried M.A. Niessen
Keyword(s):  
Mass Spectra ◽  
Drugs Of Abuse ◽  
Accurate Mass ◽  
Fragmentation Pathways

Differentiation of the Isomeric o-(m- and p-) Nitro-(Chloro- and Bromo-)Benzyl-2,4-(and 2,1-) Disubstituted 2-Thiocytosinium Halides by Electron Impact Ionisation and Fast Atom Bombardment Mass Spectrometry

2009 ◽  
Vol 15 (4) ◽  
pp. 497-506 ◽  
Author(s):  
Tomasz Pospieszny ◽  
Elżbieta Wyrzykiewicz
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectra ◽  
Fast Atom Bombardment ◽  
Collision Induced Dissociation ◽  
Mass Measurements ◽  
Fragmentation Pathways ◽  
Mass Spectral ◽  
Fragment Ions ◽  
Accurate Mass Measurements ◽  
Impact Ionisation

Electron ionisation (EI) and fast atom bombardment (FAB) mass spectral fragmentations of nine 2,4-(and 2,1-) disubstituted o-( m- and p-)nitro-(chloro- and bromo-)-2-thiocytosinium halides are investigated. Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions [EI-mass spectrometry (MS)], as well as FAB/collision-induced dissociation (CID) mass spectra measurements are discussed. The correlations between the abundances of the (C11H10N4SO2)+1–3; (C11H10N3SCl)+4–6 and (C11H10N3SBr)+7–9 ions and the selected fragment ions (EI-MS), as well as (C18H16N5SO4)+1–3; (C18H16N3SCl2)+4–6 and (C18H16N3SBr2) + 7–9 ions and the selected ions (C7H6NO2)+1–3; (C7H6Cl)+ 4–6; (C7H6Br)+ 7–9 (FAB-MS) are discussed. The data obtained can be used for distinguishing isomers.

Mass spectra of ar-nitrostyrenes

1974 ◽  
Vol 27 (12) ◽  
pp. 2583 ◽  
Author(s):  
S Middleton ◽  
M Butcher ◽  
RJ Mathews
Keyword(s):  
Mass Spectra ◽  
Fragmentation Pathways ◽  
Ortho Isomer

The mass spectra of m- and p-nitrostyrene are relatively simple but that of the ortho isomer is quite complicated due to the intervention of numerous fragmentation pathways which involve interaction between the nitro and vinyl groups.

scholarly journals The isolation and characterisation of the synthetic cannabinoid AM-2201 from commercial products using purification by HPLC-DAD

2015 ◽  
Vol 2 (1) ◽  
Author(s):  
Smilja Duranovic ◽  
Mathieu Elie ◽  
Mark Baron
Keyword(s):  
Mass Spectra ◽  
Drugs Of Abuse ◽  
Methanolic Extract ◽  
Synthetic Cannabinoids ◽  
Preparative Hplc ◽  
Psychoactive Substances ◽  
Mass Spectral ◽  
Fast Gc ◽  
The Uk ◽  
Analytical Laboratories

AbstractA total of six products containing legal highs were purchased via the internet from the UK- based retailers and screened for the presence of synthetic cannabinoids using a fast GC-MS method and identified, in the absence of reference materials, by comparing the mass spectra with the Scientific Working Group for the Analysis of Seized Drugs (SWGDRUG) mass spectral library. Four synthetic cannabinoids were detected: RCS-4, CP-47, 497, UR-144 and AM-2201. The active ingredient (1-(5-fluoropentyl)-3-(1-naphthoyl) indole), with the street name AM-2201, detected in the product named Doob was isolated and purified from the methanolic extract of the product using preparative HPLC with analytical column (column overloading method). The structure of the substance was confirmed using NMR. This approach used common analytical equipment found in forensic and other analytical laboratories (except for the NMR), therefore can be useful for the identification of unknown psychoactive substances in drugs of abuse.

Fragmentation pathways in the mass spectra of isomeric phenylazoxypyridine-N-oxides

1992 ◽  
Vol 70 (4) ◽  
pp. 1028-1032 ◽  
Author(s):  
Nigel J. Bunce ◽  
H. Stewart McKinnon ◽  
Randy J. Schnurr ◽  
Sam R. Keum ◽  
Erwin Buncel
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Electron Impact ◽  
Mass Spectra ◽  
Chemical Reduction ◽  
Ion Source ◽  
Tandem Mass ◽  
Mass Spectral Fragmentation ◽  
Fragmentation Pathways ◽  
Mass Spectral

The mass spectral fragmentation pathways of a series of phenylazoxypyridine-N-oxides have been studied under electron impact conditions using tandem mass spectrometry. Besides simple C—N cleavages, the azoxypyridine-N-oxides undergo deep-seated rearrangements directly from the molecular ion. In addition, the spectra are complicated by a purely chemical reduction of the N—O functionalities that occurs in the ion source prior to ionization.

Mass Spectrometry of some Nuclear Substituted Styryl Ketones

1972 ◽  
Vol 50 (6) ◽  
pp. 871-879 ◽  
Author(s):  
P. J. Smith ◽  
J. R. Dimmock ◽  
W. G. Taylor
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectra ◽  
Aromatic Substitution ◽  
Fragmentation Pathways ◽  
Fragment Ions ◽  
Aliphatic Ketones ◽  
Decomposition Processes ◽  
Structure Formula ◽  
Related Compounds ◽  
Carbonyl Function

The mass spectra of a series of nuclear substituted styryl ketones with the structure[Formula: see text]and several relaTed compounds have been determined. The major fragmentation pathways include such processes as an aromatic substitution reaction occurring in the molecular ion as well as the McLafferty rearrangement. Only one of the two possible α-cleavages at the carbonyl function was observed. The major decomposition processes are outlined and compared with the recent results of a study on α,β-unsaturated aliphatic ketones. Mechanistic pathways are suggested for the formation of the major fragment ions.

Sign in / Sign up

Export Citation Format

Share Document