Unexpected peaks in tandem mass spectra due to reaction of product ions with residual water in mass spectrometer collision cells

Rapid Communications in Mass Spectrometry

Volumn 28, Issue 23, 2014, Pages 2645-2660

  Neta, Pedatsur ^a   Farahani, Mahnaz ^a,b   Simón Manso, Yamil ^a   Liang, Yuxue ^a   Yang, Xiaoyu ^a   Stein, Stephen E ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b Food and Drug Administrations   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CELLS; CYTOLOGY; ELECTROSPRAY IONIZATION; MASS SPECTROMETRY; NEGATIVE IONS; POSITIVE IONS; PROTONATION; RATE CONSTANTS; SILICON COMPOUNDS;

COLLISION CELLS; ELECTROSPRAY IONIZATION TANDEM MASS SPECTROMETRY; MONITORING RESULTS; MULTIPLE REACTION MONITORING; PRECURSOR IONS; PRODUCT IONS; PROTONATED; RESIDUAL WATERS; TANDEM MASS SPECTRA;

MASS SPECTROMETERS;

CATION; FOLIC ACID; WATER;

ANALOGS AND DERIVATIVES; CHEMISTRY; ELECTROSPRAY MASS SPECTROMETRY; PROCEDURES; REPRODUCIBILITY; TANDEM MASS SPECTROMETRY;

CATIONS; FOLIC ACID; REPRODUCIBILITY OF RESULTS; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; TANDEM MASS SPECTROMETRY; WATER;

EID: 84924703422     PISSN: 09514198     EISSN: 10970231     Source Type: Journal    
DOI: 10.1002/rcm.7055     Document Type: Article

References (18)

1. NIST MS/MS Library. 2014. Available: http://chemdata.nist.gov/mass-spc/msms-search/.
2. P. Ausloos, C. L. Clifton, S. G. Lias, A. I. Mikaya, S. E. Stein, D. V. Tchekhovskoi, O. D. Sparkman, V. Zaikin, D. Zhu. The critical evaluation of a comprehensive mass spectral library. J. Am. Soc. Mass Spectrom. 1999, 10, 287.
3. 2O adduct formation and gas-phase reactions in the collision cell. J. Am. Soc. Mass Spectrom. 2005, 16, 1291.
4. R. Tuytten, F. Lemiere, E. L. Esmans, W. A. Herrebout, B. J. van der Veken, E. Dudley, R. P. Newton, E. Witters. In-source CID of guanosine: gas phase ion-molecule reactions. J. Am. Soc. Mass Spectrom. 2006, 17, 1050.
5. + ion of hydrochlorothiazide. J. Mass Spectrom. 2009, 44, 1538.
6. X. Cao, Y. Yu, X. Ye, W. Mo. Solvation in gas-phase reactions of sulfonic groups containing ionic liquids in electrospray ionization quadrupole ion trap mass spectrometry. Eur. J. Mass Spectrom. 2009, 15, 409.
7. C. P. Chander, G. Raju, G. Mathai, R. Srinivas, H. K. Gaikwad, R. Bantu, L. Nagarapu. Electrospray ionization tandem mass spectrometry of 3-phenyl-N-(3-(4-phenylpiperazin-1-yl)-1H-pyrazole- 5-carboxamide derivatives: unusual fragmentation involving loss of 11 u. Rapid Commun. Mass Spectrom. 2012, 26, 207.
8. P. Frycak, J. Jirkovsky, V. Ranc, P. Bednar, V. Havlicek, K. Lemr. Secondary processes in atmospheric pressure chemical ionization-ion trap mass spectrometry: a case study of orotic acid. J. Mass Spectrom. 2012, 47, 720.
9. C.-C. Chan, F. U. Axe, M. Bolgar, A. B. Attygalle. Reactivity of gaseous sodiated ions derived from benzene dicarboxylate salts toward residual water in the collision cell. J. Mass Spectrom. 2010, 45, 1130.
10. Y.-Q. Wu, N.-W. Zhang, F. Li, K.-Z. Jiang. Deviantmass shift of hydrated product ions from sodiated β-anilinodidrochalcones using an ion-trap mass spectrometer. Eur. J. Mass Spectrom. 2013, 19, 351.
11. J. Sultan. Collision induced dissociation of deprotonated guanine: fragmentation of pyrimidine ring and water adduct formation. Int. J. Mass Spectrom. 2008, 273, 58.
12. A. B. Attygalle, N. Kharbatia, J. Bialecki, J. Ruzicka, A. Svatos, E. J. Stauber. An unexpected ion-molecule adduct in negative-ion collision-induced decomposition ion-trap mass spectra of halogenated benzoic acids. Rapid Commun. Mass Spectrom. 2006, 20, 2265.
13. A. Kaufmann, P. Butcher, K. Maden, M. Widmer, K. Giles, D. Uria. Are liquid chromatography/electrospray tandem quadrupole fragmentation ratios unequivocal confirmation criteria? Rapid Commun. Mass Spectrom. 2009, 23, 985.
14. P. Neta, B. Godugu, Y. Liang, Y. Simón-Manso, X. Yang, S. E. Stein. Electrospray tandem quadrupole fragmentation of quinolone drugs and related ions. On the reversibility of water loss from protonated molecules. Rapid Commun. Mass Spectrom. 2010, 24, 3271.
15. 2 and CO from protonated aldehydes in electrospray ionizationmass spectrometry. Rapid Commun. Mass Spectrom. 2014, 28, 1871.
16. X. Yang, P. Neta, S. E. Stein. Quality control for building libraries from electrospray ionization tandem mass spectra. Anal. Chem. 2014, 86, 6393.
17. + ions via rearrangement involving loss of the C-terminal amino acid residue. J. Am. Soc. Mass Spectrom. 1990, 1, 249.
18. + ions in a QqTOF mass spectrometer. J. Am. Soc. Mass Spectrom. 2007, 18, 1024.