2023
DOI: 10.1021/jasms.3c00004
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Achieving Sub-Parts-per-Million Mass Measurement Accuracy on an Orbitrap Mass Spectrometry Imaging Platform without Automatic Gain Control

Abstract: The collection of profile data is standard practice within the field of mass spectrometry (MS). However, profile data collection often results in large data files that require extensive processing times, especially in mass spectrometry imaging (MSI) studies where thousands of high-resolution scans are recorded. Natively collecting centroid MS data is an alternative that effectively reduces both the resulting file size and the data processing time. Herein, high-resolution accurate mass (HRAM) Orbitrap MSI data … Show more

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Cited by 10 publications
(10 citation statements)
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“…Mass spectra were recorded from m / z 150–1000 with the S-lens RF value set at 70%. The EasyIC internal calibrant fluoranthene ( m / z 202.0777) was enabled to achieve subppm MMA …”
Section: Methodsmentioning
confidence: 99%
“…Mass spectra were recorded from m / z 150–1000 with the S-lens RF value set at 70%. The EasyIC internal calibrant fluoranthene ( m / z 202.0777) was enabled to achieve subppm MMA …”
Section: Methodsmentioning
confidence: 99%
“…The mass spectrometer was externally mass calibrated, and fluoranthene ( m/z 202.0777) was used as an internal mass correction during each analysis to achieve high mass measurement accuracy (MMA) within ±2.5 ppm. The mass spectra data were collected in native centroid mode 27 . The automatic gain control was disabled, and the injection time was fixed at 15 ms. All electronics timing events were controlled using RastirZ, the IR‐MALDESI control software 26,28 …”
Section: Methodsmentioning
confidence: 99%
“…The mass spectra data were collected in native centroid mode. 27 The automatic gain control was disabled, and the injection time was fixed at 15 ms. All electronics timing events were controlled using RastirZ, the IR-MALDESI control software. 26,28…”
Section: Infrared Matrix-assisted Laser Desorption Electrospray Ioniz...mentioning
confidence: 99%
“…29 The MSI data can also be natively collected as centroid data from the instrument to reduce the number of additional preprocessing steps necessary. Centroiding the data, either natively or using a proper peak picking algorithm reduces the data file size, reduces down stream data processing time, and ensures the proper points are utilized for the calculation of quality control (QC) metrics (e.g., mass measurement accuracy, 30 spectral accuracy, 31 detection frequency 32 ) resulting in the most accurate indication of data quality. 30 After centroiding the data, an external mass correction can then be applied to systematically shift the data improving the mass measurement accuracy resulting in more confident putative identifications.…”
Section: Preprocessing For Mass Spectrometry Imaging Datamentioning
confidence: 99%
“…30 After centroiding the data, an external mass correction can then be applied to systematically shift the data improving the mass measurement accuracy resulting in more confident putative identifications. 30 (Heatmaps from panels (A) and (B) reproduced with permission from data from Mellinger et al 23 ).…”
Section: Preprocessing For Mass Spectrometry Imaging Datamentioning
confidence: 99%