ArticleJournal of the American Society for Mass Spectrometry2012
Chemometric data analysis for deconvolution of overlapped ion mobility profiles.
Article in Journal of the American Society for Mass Spectrometry, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Applications of Ion Mobility-Mass Spectrometry in Carbohydrate Chemistry and Glycobiology.Molecules (Basel, Switzerland) · 2018Review
- Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2018Article
- Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2017Article
- Determination of ion mobility collision cross sections for unresolved isomeric mixtures using tandem mass spectrometry and chemometric deconvolution.Analytica chimica acta · 2016Article
- Competing noncovalent host-guest interactions and H/D exchange: reactions of benzyloxycarbonyl-proline glycine dipeptide variants with ND3.Journal of the American Society for Mass Spectrometry · 2015Article
- Ion mobility-mass spectrometry: time-dispersive instrumentation.Analytical chemistry · 2015Review
- Automated deconvolution of overlapped ion mobility profiles.Journal of the American Society for Mass Spectrometry · 2014Article
- Loss of internal backbone carbonyls: additional evidence for sequence-scrambling in collision-induced dissociation of y-type ions.Journal of the American Society for Mass Spectrometry · 2014Article
- Energy-resolved ion mobility-mass spectrometry--a concept to improve the separation of isomeric carbohydrates.Journal of the American Society for Mass Spectrometry · 2014Article
- Evidence for sequence scrambling and divergent H/D exchange reactions of doubly-charged isobaric b-type fragment ions.Journal of the American Society for Mass Spectrometry · 2014Article
- Combined use of post-ion mobility/collision-induced dissociation and chemometrics for b fragment ion analysis.Journal of the American Society for Mass Spectrometry · 2013Article
Corrections and comments
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Authors and funding
2 authors.
Funding
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Abstract
We present the details of a data analysis approach for deconvolution of the ion mobility (IM) overlapped or unresolved species. This approach takes advantage of the ion fragmentation variations as a function of the IM arrival time. The data analysis involves the use of an in-house developed data preprocessing platform for the conversion of the original post-IM/collision-induced dissociation mass spectrometry (post-IM/CID MS) data to a Matlab compatible format for chemometric analysis. We show that principle component analysis (PCA) can be used to examine the post-IM/CID MS profiles for the presence of mobility-overlapped species. Subsequently, using an interactive self-modeling mixture analysis technique, we show how to calculate the total IM spectrum (TIMS) and CID mass spectrum for each component of the IM overlapped mixtures. Moreover, we show that PCA and IM deconvolution techniques provide complementary results to evaluate the validity of the calculated TIMS profiles. We use two binary mixtures with overlapping IM profiles, including (1) a mixture of two non-isobaric peptides (neurotensin (RRPYIL) and a hexapeptide (WHWLQL)), and (2) an isobaric sugar isomer mixture of raffinose and maltotriose, to demonstrate the applicability of the IM deconvolution.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.