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Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections.

Abstract:

We present the use of drug-like molecules as a traveling wave (T-wave) ion mobility (IM) calibration sample set, covering the m/z range of 122.1-609.3, the nitrogen collision cross-section (Ω(N(2))) range of 124.5-254.3 Å(2) and the helium collision cross-section (Ω(He)) range of 63.0-178.8 Å(2). Absolute Ω(N(2)) and Ω(He) values for the drug-like calibrants and two diastereomers were measured using a drift-tube instrument with radio frequency (RF) ion confinement. T-wave drift-times for the ...

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Publication status:
Published

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Publisher copy:
10.1021/ac202625t

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Analytical chemistry More from this journal
Volume:
84
Issue:
2
Pages:
1026-1033
Publication date:
2012-01-01
DOI:
EISSN:
1520-6882
ISSN:
0003-2700
Language:
English
Keywords:
Pubs id:
pubs:342929
UUID:
uuid:f856822e-ff6f-4e57-b0df-ebbd3fd9c1aa
Local pid:
pubs:342929
Source identifiers:
342929
Deposit date:
2013-11-16

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