scholarly journals An Ion Mobility-Mass Spectrometry Imaging Workflow

2020 ◽  
Author(s):  
Daniela Mesa Sanchez ◽  
Steve Creger ◽  
Veerupaksh Singla ◽  
Ruwan T. Kurulugama ◽  
John Fjeldsted ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Mass Spectrometry Imaging ◽  
Feature Detection ◽  
Drift Time ◽  
Biological Tissues ◽  
Ion Mobility Mass Spectrometry ◽  
Label Free ◽  
User Input ◽  
Spatially Resolved

<p>Mass spectrometry imaging (MSI) is a powerful technique for the label-free spatially-resolved analysis of biological tissues. Coupling ion mobility (IM) separation with MSI allows separation of isobars in the mobility dimension and increases confidence of peak assignments. Recently, imaging experiments have been implemented on the Agilent 6560 Ion Mobility Quadrupole Time of Flight Mass Spectrometer, making MSI experiments more broadly accessible to the MS community. However, the absence of data analysis software for this system presents a bottleneck. Herein, we present a vendor-specific imaging workflow to visualize IM-MSI data produced on the Agilent IM-MS system. Specifically, we have developed a Python script, the ion mobility-mass spectrometry image creation script (IM-MSIC), which interfaces Agilent’s Mass Hunter Mass Profiler software with the MacCoss lab’s Skyline software and generates drift time and mass-to-charge selected ion images. In the workflow, Mass Profiler is used for an untargeted feature detection. The IM-MSIC script mediates user input of data and extracts ion chronograms utilizing Skyline’s command-line interface, then proceeds towards ion image generation within a single user interface. Ion image post-processing is subsequently performed using different tools implemented in accompanying scripts.</p>

scholarly journals An Ion Mobility-Mass Spectrometry Imaging Workflow

2020 ◽  
Author(s):  
Daniela Mesa Sanchez ◽  
Steve Creger ◽  
Veerupaksh Singla ◽  
Ruwan T. Kurulugama ◽  
John Fjeldsted ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Mass Spectrometry Imaging ◽  
Feature Detection ◽  
Drift Time ◽  
Biological Tissues ◽  
Ion Mobility Mass Spectrometry ◽  
Label Free ◽  
User Input ◽  
Spatially Resolved

<p>Mass spectrometry imaging (MSI) is a powerful technique for the label-free spatially-resolved analysis of biological tissues. Coupling ion mobility (IM) separation with MSI allows separation of isobars in the mobility dimension and increases confidence of peak assignments. Recently, imaging experiments have been implemented on the Agilent 6560 Ion Mobility Quadrupole Time of Flight Mass Spectrometer, making MSI experiments more broadly accessible to the MS community. However, the absence of data analysis software for this system presents a bottleneck. Herein, we present a vendor-specific imaging workflow to visualize IM-MSI data produced on the Agilent IM-MS system. Specifically, we have developed a Python script, the ion mobility-mass spectrometry image creation script (IM-MSIC), which interfaces Agilent’s Mass Hunter Mass Profiler software with the MacCoss lab’s Skyline software and generates drift time and mass-to-charge selected ion images. In the workflow, Mass Profiler is used for an untargeted feature detection. The IM-MSIC script mediates user input of data and extracts ion chronograms utilizing Skyline’s command-line interface, then proceeds towards ion image generation within a single user interface. Ion image post-processing is subsequently performed using different tools implemented in accompanying scripts.</p>

Structure-drift time relationships in ion mobility mass spectrometry

2013 ◽  
Vol 16 (2) ◽  
pp. 117-132 ◽  
Author(s):  
Maíra Fasciotti ◽  
Priscila M. Lalli ◽  
Gabriel Heerdt ◽  
Rafael A. Steffen ◽  
Yuri E. Corilo ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Drift Time ◽  
Ion Mobility Mass Spectrometry

scholarly journals Quantitative Mass Spectrometry Imaging of Biological Systems

2021 ◽  
Vol 72 (1) ◽  
Author(s):  
Daisy Unsihuay ◽  
Daniela Mesa Sanchez ◽  
Julia Laskin
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometry Imaging ◽  
Matrix Effects ◽  
High Sensitivity ◽  
Biological Tissues ◽  
Annual Review ◽  
Publication Date ◽  
Label Free ◽  
Complex Samples ◽  
Mass Dependent

Mass spectrometry imaging (MSI) is a powerful, label-free technique that provides detailed maps of hundreds of molecules in complex samples with high sensitivity and subcellular spatial resolution. Accurate quantification in MSI relies on a detailed understanding of matrix effects associated with the ionization process along with evaluation of the extraction efficiency and mass-dependent ion losses occurring in the analysis step. We present a critical summary of approaches developed for quantitative MSI of metabolites, lipids, and proteins in biological tissues and discuss their current and future applications. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 72 is April 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

scholarly journals Ion Mobility-Mass Spectrometry Imaging Workflow

2020 ◽  
Vol 31 (12) ◽  
pp. 2437-2442 ◽  
Author(s):  
Daniela Mesa Sanchez ◽  
Steve Creger ◽  
Veerupaksh Singla ◽  
Ruwan T. Kurulugama ◽  
John Fjeldsted ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Mass Spectrometry Imaging ◽  
Ion Mobility Mass Spectrometry

Mobilising Ion Mobility Mass Spectrometry in a Synthetic Biology Analytics Workflow

2018 ◽  
Author(s):  
Eleanor Sinclair ◽  
Katherine A. Hollywood ◽  
Cunyu Yan ◽  
Richard Blankley ◽  
Rainer Breitling ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Synthetic Biology ◽  
Ion Mobility ◽  
Collision Cross Section ◽  
Drift Time ◽  
Metabolite Identification ◽  
Ion Mobility Mass Spectrometry ◽  
Buffer Gas ◽  
High Reproducibility ◽  
Relative Standard

<p>Chromatography based mass spectrometry approaches (xC-MS) are commonly used in untargeted metabolomics, providing retention time, m/z values and metabolite specific-fragments all of which are used to identify and validate an unknown analyte. Ion mobility-mass spectrometry (IM-MS) is emerging as an enhancement to classic xC-MS strategies, by offering additional separation as well as collision cross section (CCS) determination. In order to apply such an approach to a synthetic biology workflow, verified data from metabolite standards is necessary. In this work we present experimental <sup>DT</sup>CCS<sub>N2</sub> values for a range of metabolites in positive and negative ionisation modes using drift time-ion mobility-mass spectrometry (DT-IM-MS) with nitrogen as the buffer gas. Creating a useful database containing <sup>DT</sup>CCS<sub>N2</sub> measurements for application in metabolite identification relies on a robust technique that acquires measurements of high reproducibility. We report that 86% of the metabolites measured in replicate have a relative standard deviation lower than 0.2 %. Examples of metabolites with near identical mass are demonstrated to be separated by ion mobility with over 4% difference in <sup>DT</sup>CCS<sub>N2</sub> values. We conclude that the integration of ion mobility into current LC-MS workflows can aid in small molecule identification for both targeted and untargeted metabolite screening which is commonly performed in synthetic biology.</p>

scholarly journals Nanospray Desorption Electrospray Ionization (nano-DESI) Mass Spectrometry Imaging of Drift Time-Separated Ions

2020 ◽  
Author(s):  
Daisy Unsihuay ◽  
ruichuan yin ◽  
Daniela Mesa Sanchez ◽  
Yingju Li ◽  
Xiaofei Sun ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Ionization ◽  
Spatial Resolution ◽  
Ion Mobility ◽  
Mass Spectrometry Imaging ◽  
Structural Information ◽  
Biological Systems ◽  
Drift Time ◽  
Desorption Electrospray Ionization ◽  
Chemical Information

Simultaneous spatial localization and structural characterization of molecules in complex biological samples currently represents an analytical challenge for mass spectrometry imaging (MSI) techniques. In this study, we describe a novel experimental platform, which substantially expands the capabilities and enhances the depth of chemical information obtained in high spatial resolution MSI experiments performed using nanospray desorption electrospray ionization (nano-DESI). Specifically, we designed and constructed a portable nano-DESI MSI platform and coupled it with a drift tube ion mobility spectrometer-mass spectrometer (IM-MS). Separation of biomolecules observed in MSI experiments based on their drift times provides unique molecular descriptors necessary for their identification by comparison with databases. Furthermore, it enables isomer-specific imaging, which is particularly important for unraveling the complexity of biological systems. Imaging of day 4 pregnant mouse uterine sections using the newly developed nano-DESI-IM-MSI system demonstrates rapid isobaric and isomeric separation and reduced chemical noise in MSI experiments. A direct comparison of the performance of the new nano-DESI-MSI platform operated in the MS mode with the more established nano-DESI-Orbitrap platform indicates a comparable performance of these two systems. A spatial resolution of better than ~16 µm and similar molecular coverage was obtained using both platforms. The structural information provided by the ion mobility separation expands the molecular specificity of high-resolution MSI necessary for the detailed understanding of biological systems.

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