2001
DOI: 10.1002/rcm.444
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Abstract: The interpretation of mass spectra is a key process during compound identification, and the combination of tandem mass spectrometry (MS/MS) with high-accuracy mass measurements may deliver crucial information on the identity of a compound. Obtaining accurate mass data of fragment ions in MS/MS reveals the particular problem of mass calibration when a lockmass, which is frequently used to obtain accurate masses in MS, is absent. An alternative technique is to recalibrate the MS/MS spectrum using a reference MS/… Show more

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Cited by 28 publications
(30 citation statements)
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“…Except for one peak in the QqTOF MS/MS spectrum, the peaks for the 13 fragment ions in the MS/MS spectra were not distorted and the experimentally observed QqTOF resolution of 3200 FWHM (full-width at half maximum; m/⌬m, in which ⌬m ϭ FWHM) was sufficient to resolve all peaks. Also, Hau and coworkers demonstrated [20] an excellent comparison of QqTOF and FT-ICR MS/MS spectra for a group of eight low-molecular weight aza-heterocycles. The authors recalibrated the externally calibrated MS/MS spectra by merging the individual analyte spectra with the MS/MS spectrum of a reference compound acquired under the same conditions.…”
mentioning
confidence: 99%
“…Except for one peak in the QqTOF MS/MS spectrum, the peaks for the 13 fragment ions in the MS/MS spectra were not distorted and the experimentally observed QqTOF resolution of 3200 FWHM (full-width at half maximum; m/⌬m, in which ⌬m ϭ FWHM) was sufficient to resolve all peaks. Also, Hau and coworkers demonstrated [20] an excellent comparison of QqTOF and FT-ICR MS/MS spectra for a group of eight low-molecular weight aza-heterocycles. The authors recalibrated the externally calibrated MS/MS spectra by merging the individual analyte spectra with the MS/MS spectrum of a reference compound acquired under the same conditions.…”
mentioning
confidence: 99%
“…Fast-scanning time-of-flight (TOF) and Fourier transform mass analyzers, with their good resolving power, accurate mass, and peak profiles, should afford specificity in LC/MS. Although FTMS has higher mass accuracy and resolving power [6,7], FT-based instruments are not as accessible as those that are TOF-based.…”
mentioning
confidence: 99%
“…Furthermore, it has been suggested that these reactions occur through a concerted mechanism or are mediated by the formation of radicals [6 -9]. The development of electrospray ionization allowed the formation of various classes of closed shell ions under very mild conditions and hence it has been unambiguously shown that at least in some cases homolytic C™C and C™H cleavages are involved in the gas phase decomposition of cationized organic compounds [10,11].One class of organic cations that are known to undergo homolytic cleavages is quaternary ammonium and pyridium cations [8,[12][13][14][15][16][17]. Fisher and Veith studied the gas phase fragmentation of ammonium and pyridinium ions, generated with field desorption and reported the formation of nitrogen based radical cations under collision induced dissociation (CID) [12,13].…”
mentioning
confidence: 99%
“…One class of organic cations that are known to undergo homolytic cleavages is quaternary ammonium and pyridium cations [8,[12][13][14][15][16][17]. Fisher and Veith studied the gas phase fragmentation of ammonium and pyridinium ions, generated with field desorption and reported the formation of nitrogen based radical cations under collision induced dissociation (CID) [12,13].…”
mentioning
confidence: 99%
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