Fragmentation of Trimethoprim and other Compounds Containing Alkoxy-Phenyl Groups in Electrospray Ionisation Tandem Mass Spectrometry

2005 ◽  
Vol 11 (1) ◽  
pp. 73-82 ◽  
Author(s):  
Christine Eckers ◽  
John J. Monaghan ◽  
Jean-Claude Wolff
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Mass Measurement ◽  
Radical Cations ◽  
Accurate Mass Measurement ◽  
Accurate Mass ◽  
Tandem Mass ◽  
Electrospray Ionisation ◽  
Fragment Ions ◽  
Different Types

This work describes electrospray ionisation tandem mass spectrometry studies of trimethoprim and a series of structurally similar compounds containing alkoxy-phenyl groups, using accurate mass measurement to confirm the proposed fragmentations. Radical cations were observed in the spectra obtained for some of the compounds, as well as uncommon fragmentations showing losses of CH4 and C2H6, whereas other compounds showed the formation of even electron ions. Possible structures for the fragment ions have been proposed and explanations for the different types of fragmentation based on the structures of the compounds. In addition an alternate structure for a fragment ion previously reported for tandem mass spectrometry of trimethoprim has been proposed, based on accurate mass measurement.

Identification of an unknown?-agonist in feed by liquid chromatography/bioassay/quadrupole time-of-flight tandem mass spectrometry with accurate mass measurement

2003 ◽  
Vol 17 (14) ◽  
pp. 1633-1641 ◽  
Author(s):  
M. W. F. Nielen ◽  
C. T. Elliott ◽  
S. A. Boyd ◽  
D. Courtheyn ◽  
M. L. Essers ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Tandem Mass Spectrometry ◽  
Mass Measurement ◽  
Time Of Flight ◽  
Accurate Mass Measurement ◽  
Accurate Mass ◽  
Tandem Mass

Accurate mass measurement and tandem mass spectrometry of intact globin chains identify the low proportion variant hemoglobin Lepore–Boston–Washington from the blood of a heterozygote

2004 ◽  
Vol 39 (3) ◽  
pp. 289-294 ◽  
Author(s):  
Dilip K. Rai ◽  
Brian N. Green ◽  
Britta Landin ◽  
Gunvor Alvelius ◽  
William J. Griffiths
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Mass Measurement ◽  
Accurate Mass Measurement ◽  
Accurate Mass ◽  
Tandem Mass ◽  
Variant Hemoglobin ◽  
Globin Chains

Quick elucidation of cyclodepsipeptide sequence from sacoglossan Elysia grandifolia using electrospray ionisation-tandem mass spectrometry

2017 ◽  
Vol 23 (3) ◽  
pp. 92-97
Author(s):  
Supriya Tilvi ◽  
Prabha Devi ◽  
Mahesh S Majik
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Careful Examination ◽  
Tandem Mass ◽  
Molecular Ion ◽  
Esi Ms ◽  
Electrospray Ionisation ◽  
Fragment Ions ◽  
Y Fragment ◽  
Doubly Charged

Butanol fraction of sacoglossan Elysia grandifolia was investigated for identifying peptides using electrospray ionisation-tandem mass spectrometry (ESI-MS/MS). Without prior isolation, the structural determination is achieved on the basis of mass fragmentation pattern and comparison with the previously established data. The ESI-MS of the fraction in the positive ion mode gave clusters of singly and doubly charged molecular ion peaks. The ESI-MS spectrum showed peaks for the presence of the peptides kahalalides F, G, R and S reported earlier. In addition, it also showed molecular ion peaks at m/z 1557.8 [M+H]+ and doubly charged ions at m/z 779.4 [M+2H]2+, 790.4 [M+Na]2+ and 796.4 [M+K]2+. The MS/MS at m/z 779.4 [M+2H]+2 at collision energy 40 V obtained series of b and y fragment ions. The MS/MS spectrum showed identical fragment ion y6 at m/z 643 which revealed that cyclic part is identical with kahalalide F, R and S. Careful examination of the fragment ions b1 to b7 with their corresponding y fragment ions y12 to y6, respectively and by comparison of MS/MS pattern of kahalalide S, established that proline can be replaced by tyrosine amino acid residue. The mass difference between b4 ( m/z 511) and b5 ( m/z 674) is equal to 163 which is equivalent to mass residue of tyrosine. Their y fragment ions also quickly helped in fixing the puzzle. This resulted in the identification of the peptide sequence cyclo-[Val-(5-MeHex-Val-Thr-Val-Val-Tyr-Lys-Ile)Thr-Ile-Val-Phe-Dhb)] for the new cyclodepsipeptide, kahalalide Z3. Thus, ESI-MS/MS has set a trend in quick identification of new marine molecules.

Liquid chromatography/electrospray ionisation–tandem mass spectrometry quantification of GM2 gangliosides in human peripheral cells and plasma

2014 ◽  
Vol 458 ◽  
pp. 20-26 ◽  
Author(s):  
Maria Fuller ◽  
Stephen Duplock ◽  
Leanne K. Hein ◽  
Brigitte A. Rigat ◽  
Don J. Mahuran
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Tandem Mass Spectrometry ◽  
Tandem Mass ◽  
Electrospray Ionisation ◽  
Peripheral Cells

NitrileN-Selenide (RC⋮NSe) and Isoselenocyanate (RNCSe) Neutrals and Radical Cations by Selenation of Nitriles and Isonitriles:  Tandem Mass Spectrometry and ab Initio Studies

1998 ◽  
Vol 102 (45) ◽  
pp. 9021-9030 ◽  
Author(s):  
Pascal Gerbaux ◽  
Robert Flammang ◽  
Eva H. Mørkved ◽  
Ming Wah Wong ◽  
Curt Wentrup
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Ab Initio ◽  
Radical Cations ◽  
Tandem Mass
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