Mass Recalibration of FT-ICR Mass Spectrometry Imaging Data Using the Average Frequency Shift of Ambient Ions

Barry, Jeremy A.; Robichaud, Guillaume; Muddiman, David C.

doi:10.1007/s13361-013-0659-0

Cited by 26 publications

(20 citation statements)

References 72 publications

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“…The mass error did not exceed 750 ppb level with the root-mean-square (RMS) value of 330 ppb in the mass range 300-1400 m/z for both AGC settings and both trapping potentials. These results are comparable to those obtained using conventional ICR cells with external mass calibration [24,46,47]. Mass error increased for wider mass range, especially for higher AGC value; the corresponding dependencies are given in Figure S7 (Supporting information).…”

Section: Nadel Icr Cell Performance: Mass Accuracysupporting

confidence: 79%

Ion Trap with Narrow Aperture Detection Electrodes for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Nagornov

Kozhinov

Tsybin

et al. 2015

J. Am. Soc. Mass Spectrom.

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Abstract. The current paradigm in ion trap (cell) design for Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is the ion detection with wide aperture detection electrodes. Specifically, excitation and detection electrodes are typically 90°wide and positioned radially at a similar distance from the ICR cell axis. Here, we demonstrate that ion detection with narrow aperture detection electrodes (NADEL) positioned radially inward of the cell's axis is feasible and advantageous for FT-ICR MS. We describe design details and performance characteristics of a 10 T FT-ICR MS equipped with a NADEL ICR cell having a pair of narrow aperture (flat) detection electrodes and a pair of standard 90°excitation electrodes. Despite a smaller surface area of the detection electrodes, the sensitivity of the NADEL ICR cell is not reduced attributable to improved excite field distribution, reduced capacitance of the detection electrodes, and their closer positioning to the orbits of excited ions. The performance characteristics of the NADEL ICR cell are comparable with the state-of-the-art FT-ICR MS implementations for small molecule, peptide, protein, and petroleomics analyses. In addition, the NADEL ICR cell's design improves the flexibility of ICR cells and facilitates implementation of advanced capabilities (e.g., quadrupolar ion detection for improved mainstream applications). It also creates an intriguing opportunity for addressing the major bottleneck in FTMS-increasing its throughput via simultaneous acquisition of multiple transients or via generation of periodic non-sinusoidal transient signals.

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Section: Nadel Icr Cell Performance: Mass Accuracysupporting

confidence: 79%

Ion Trap with Narrow Aperture Detection Electrodes for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Nagornov

Kozhinov

Tsybin

et al. 2015

J. Am. Soc. Mass Spectrom.

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“…We call these peaks "virtual lock masses" (VLM) and propose an algorithm to detect them automatically. This idea is similar to the one proposed by Barry et al 16 , but the peaks are not limited to ambient ions. In this work, we show that our algorithm allows the detection of tens to hundreds of peaks that can be used as reference points to re-align the spectra.…”

Section: Introductionsupporting

confidence: 71%

“…This method uses cubic splines to recalibrate spectra, based on the shifts between observed peaks and known reference masses. A similar algorithm has been proposed by Barry et al (2013) for Fourier-Transform Mass Spectrometry 16 . This approach uses ambient ions in order to correct the spectra using known reference masses.…”

Section: Introductionmentioning

confidence: 99%

Mass spectra alignment using virtual lock-masses

Brochu

Plante

Drouin

et al. 2018

Preprint

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Mass spectrometry is a valued method to evaluate the metabolomics content of a biological sample. The recent advent of rapid ionization technologies such as Laser Diode Thermal Desorption (LDTD) and Direct Analysis in Real Time (DART) has rendered high-throughput mass spectrometry possible. It is used for large-scale comparative analysis of populations of samples. In practice, many factors resulting from the environment, the protocol, and even the instrument itself, can lead to minor discrepancies between spectra, rendering automated comparative analysis difficult. In this work, a sequence/pipeline of algorithms to correct variations between spectra is proposed. The algorithms correct multiple spectra by identifying peaks that are common to all and, from those, computes a spectrum-specific correction. We show that these algorithms increase comparability within large datasets of spectra, facilitating comparative analysis, such as machine learning.1. P contains exactly one peak from each spectrum in S .2. The average of the m/z values of the peaks in P is equal to v. Every peak in P has a m/z value located in the interval4. No other peak in S has an m/z value that belongs to [v(1 − w), v(1 + w)]. 5. Every peak in P has an intensity in the interval [t a ,t b ].If and only if all these criteria are satisfied, we say that P is the set of peaks associated with the VLM v.Note that we impose a lower intensity threshold t a , since peaks with a lower intensity will tend to have a lower mass accuracy, and can even be confused with noise. In addition, there is also accuracy issues when the intensity of a peak is higher 2/17 3/17

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“…The automatic gain control (AGC), which controls the number of ions sent to the ICR cell to maintain high MMA with external mass calibration, was turned off for these experiments due to its incompatibility with the pulsed nature of the IR-MALDESI source. Internal calibration can be performed using the average frequency shift recalibration technique (described in detail elsewhere [50]) to maintain MMA within ± 1 ppm. For these experiments a large m/z window ( m/z 150-1500) was collected in order to obtain spatial information on endogenous species as well as the drug-related peaks.…”

Section: Methodsmentioning

confidence: 99%

Assessing drug and metabolite detection in liver tissue by UV-MALDI and IR-MALDESI mass spectrometry imaging coupled to FT-ICR MS

Barry

Groseclose

Robichaud

et al. 2015

International Journal of Mass Spectrometry

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Determining the distribution of a drug and its metabolites within tissue is a key facet of evaluating drug candidates. Drug distribution can have a significant implication in appraising drug efficacy and potential toxicity. The specificity and sensitivity of mass spectrometry imaging (MSI) make it a perfect complement to the analysis of drug distributions in tissue. The detection of lapatinib as well as several of its metabolites in liver tissue was determined by MSI using infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) coupled to high resolving power Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers. IR-MALDESI required minimal sample preparation while maintaining high sensitivity. The effect of the electrospray solvent composition on IR-MALDESI MSI signal from tissue analysis was investigated and an empirical comparison of IR-MALDESI and UV-MALDI for MSI analysis is also presented.

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Mass Recalibration of FT-ICR Mass Spectrometry Imaging Data Using the Average Frequency Shift of Ambient Ions

Cited by 26 publications

References 72 publications

Ion Trap with Narrow Aperture Detection Electrodes for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Ion Trap with Narrow Aperture Detection Electrodes for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Mass spectra alignment using virtual lock-masses

Assessing drug and metabolite detection in liver tissue by UV-MALDI and IR-MALDESI mass spectrometry imaging coupled to FT-ICR MS

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