On the amplitude accuracy in fourier transform mass spectrometry

Poretti, Marc; Rapin, Jacques; Gäumann, Tino

doi:10.1016/0168-1176(86)85045-5

Cited by 9 publications

(3 citation statements)

References 3 publications

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“…The value of linear prediction (16) and/or maximum-entropy methods for analysis of FT/ICR mass spectra is discussed elsewhere (77). Apparent relative abundances of ions in FT/ICR can of course also be affected by various experimental factors, including z-axis ejection (18)(19)(20), collisional relaxation of ions to the center of the ion trap (27), incomplete ejection of unwanted ions (27), and phase and amplitude errors (22). Under quite general conditions (white noise whose rootmean-square magnitude is independent of signal magnitude), we have shown that the precision of a determination of spectral peak height, peak width, or peak center frequency by least-squares fit to an absorption-mode or magnitude-mode spectrum is proportional to the frequency-domain signal-tonoise ratio (SNR) and to the square root of the number of data points (K) per line width ( 23)…”

Section: Introductionmentioning

confidence: 99%

Precise relative ion abundances from Fourier transform ion cyclotron resonance magnitude-mode mass spectra

Liang¹,

Marshall²

1990

Anal. Chem.

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The area under a correctly phased absorption-mode spectral peak is a direct measure of the number of oscillators (ions, spins, molecules) in Fourier transform spectrometry (ion cyclotron resonance, magnetic resonance, interferometry absorbance). However, phase correction can prove difficult when (as in broad-band Fourier transform ion cyclotron resonance (FT/ICR] detection is considerably time-delayed after excitation. In the absence of noise, Huang, Rempel, and Gross showed that a "complex area" method yields the correct absorption-mode peak area, for an unphased noiseless spectrum. In this paper, we show that the number of oscillators may also be obtained from a least-squares fit to a magnitude-mode (i.e., phase-independent) spectrum. In the presence of noise and in the absence of peak overlap, the magnitude-mode method offers precision superior to that based on magnitude-mode peak height, "complex area", or even direct digital integration of a correctly phased absorption-mode peak, as demonstrated by both theoretical derivation and experimental FT/ICR results. The present method thus appears to offer the best available determination of the relative abundances of ions of different mass-to-charge ratio in FT/ICR mass spectrometry.

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Section: Introductionmentioning

confidence: 99%

Precise relative ion abundances from Fourier transform ion cyclotron resonance magnitude-mode mass spectra

Liang¹,

Marshall²

1990

Anal. Chem.

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“…Possible errors arising from the use of peak heights as measures of signal intensities have been discussed in detail. [23][24][25] De Koning et al have shown that, under certain conditions, rate constants based on peak heights may be overestimated by up to 300%. 24 They advocated the use of segmented Fourier transform (SEFT), as well as the use of corrected excitation waveforms, to overcome these problems, but these excitation and signal processing techniques are not implemented in standard FT-ICR software.…”

Section: Instrumentation and Experimental Designmentioning

confidence: 99%

“…24 One way of reducing this source of errors is the "zero-filling" method as shown, for example, by Gäumann and coworkers. 23 Under our usual conditions, acquisition of a 32K transient followed by one zero-filling, giving a 64K spectrum, was found convenient. In order to check if this digital resolution was sufficient for the kinetic measurements reported here, we have compared rate constants calculated for none, one or two zero-filled (128K: practical limit of the computer used) spectra.…”

Section: Instrumentation and Experimental Designmentioning

confidence: 99%

Reliability of Fourier transform-ion cyclotron resonance determinations of rate constants for ion/molecule reactions

Grover¹,

Decouzon²,

Maria³

et al. 1996

Eur. J. Mass Spectrom.

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The results of gas-phase rate constant measurements by Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometry may be influenced by the setting of instrumental parameters. The effects of pressure, ionization duration, ionization energy, selection of the parent ion, mass range, trapping potential, reaction delay and pumping-regulation-valve opening have been investigated and analysed using a two-level Plackett-Burman statistical design which is described in an appendix. This approach was tested on the ion/molecule reaction between acetyl ion and acetone: CH 3 CO + + CH 3 COCH 3 → CH 2 CO + (CH 3 COCH 3 )H + . Although space-charge effects are known to be deleterious to FT-ICR, this is the first study demonstrating, on a statistical basis, the necessity of parent ion selection for obtaining reliable rate constants. Considered independently, the other factors tested do not appear statistically significant, but the possibility of interactions among them is discussed. The mean of the rate constants from experiments with acetyl ion selection, k abs = (2.14 ± 0.18) × 10 -10 cm 3 molecule -1 s -1 , is compared with literature data.

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Dispersion versus absorption (DISPA) method for automatic phasing of fourier transform ion cyclotron resonance mass spectra

Craig

Santos

Marshall

et al. 1987

Rapid Comm Mass Spectrometry

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On the amplitude accuracy in fourier transform mass spectrometry

Cited by 9 publications

References 3 publications

Precise relative ion abundances from Fourier transform ion cyclotron resonance magnitude-mode mass spectra

Precise relative ion abundances from Fourier transform ion cyclotron resonance magnitude-mode mass spectra

Reliability of Fourier transform-ion cyclotron resonance determinations of rate constants for ion/molecule reactions

Dispersion versus absorption (DISPA) method for automatic phasing of fourier transform ion cyclotron resonance mass spectra

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