Electron-based fragmentation methods in mass spectrometry: An overview

Qi, Yulin; Volmer, Dietrich A.

doi:10.1002/mas.21482

Cited by 49 publications

(60 citation statements)

References 92 publications

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“…A detailed discussion of all fragmentation techniques is outside of the scope of this tutorial, but was the subject of an extensive review . For large molecules, electron‐based ion activation methods are often applied as well …”

Section: The Product‐ion Spectrummentioning

confidence: 99%

“…51 For large molecules, electron-based ion activation methods are often applied as well. 52 In CID, it is critical to carefully select the precursor-ion mass (usually the protonated (+) or deprotonated (−) molecule) and the "laboratory collision energy" that determines the extent of fragmentation. The isolation window (ie, the m/z region that is selected for fragmentation) can be very narrow in a way that only the monoisotopic peak is fragmented; for example, to obtain high selectivity in complex matrices.…”

Section: And Rockwood Andmentioning

confidence: 99%

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A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

Vijlder

Valkenborg

Lemière

et al. 2017

Mass Spectrometry Reviews

187

134

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The identification of unknown molecules has been one of the cornerstone applications of mass spectrometry for decades. This tutorial reviews the basics of the interpretation of electrospray ionization‐based MS and MS/MS spectra in order to identify small‐molecule analytes (typically below 2000 Da). Most of what is discussed in this tutorial also applies to other atmospheric pressure ionization methods like atmospheric pressure chemical/photoionization. We focus primarily on the fundamental steps of MS‐based structural elucidation of individual unknown compounds, rather than describing strategies for large‐scale identification in complex samples. We critically discuss topics like the detection of protonated and deprotonated ions ([M + H]+ and [M − H]−) as well as other adduct ions, the determination of the molecular formula, and provide some basic rules on the interpretation of product ion spectra. Our tutorial focuses primarily on the fundamental steps of MS‐based structural elucidation of individual unknown compounds (eg, contaminants in chemical production, pharmacological alteration of drugs), rather than describing strategies for large‐scale identification in complex samples. This tutorial also discusses strategies to obtain useful orthogonal information (UV/Vis, H/D exchange, chemical derivatization, etc) and offers an overview of the different informatics tools and approaches that can be used for structural elucidation of small molecules. It is primarily intended for beginning mass spectrometrists and researchers from other mass spectrometry sub‐disciplines that want to get acquainted with structural elucidation are interested in some practical tips and tricks.

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Section: The Product‐ion Spectrummentioning

confidence: 99%

Section: And Rockwood Andmentioning

confidence: 99%

A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

Vijlder

Valkenborg

Lemière

et al. 2017

Mass Spectrometry Reviews

187

134

View full text Add to dashboard Cite

show abstract

“…The typical fragmentation reactions found in ECD and ETD involve the cleavage of N‐C α bonds of the peptide backbone and result in the formation of c‐ and z•‐ type fragments . However, also a ‐type ions and amino acid side chain cleavages ( d‐ and w‐ type ions) are observed . Drawbacks of ETD and ECD include hydrogen shift reactions between c‐ and z•‐ type ions, a slow duty cycle, and the efficiency depending on the charge state of the respective precursor ion …”

Section: Fundamentals Of Peptide Fragmentation In Tandem Msmentioning

confidence: 99%

Free radical‐initiated peptide sequencing (FRIPS)‐based cross‐linkers for improved peptide and protein structure analysis

Iacobucci

Schäfer

Sinz

2018

Mass Spectrometry Reviews

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Free radical-initiated peptide sequencing (FRIPS) has recently been introduced as an analytical strategy to create peptide radical ions in a predictable and effective way by collisional activation of specifically modified peptides ions. FRIPS is based on the unimolecular dissociation of open-shell ions and yields fragments that resemble those obtained by electron capture dissociation (ECD) or electron transfer dissociation (ETD). In this review article, we describe the fundamentals of FRIPS and highlight its fruitful combination with chemical cross-linking/mass spectrometry (MS) as a highly promising option to derive complementary structural information of peptides and proteins. FRIPS does not only yield exhaustive sequence information of cross-linked peptides, but also defines the exact cross-linking sites of the connected peptides. The development of more advanced FRIPS cross-linkers that extend the FRIPS-based cross-linking/MS approach to the study of large protein assemblies and protein interaction networks can be eagerly anticipated.

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“…, electron-based dissociation methods, 4–6) have been developed over the past decade. 7) Electrons are applied to or detached from precursor ions to produce radical states that can be dissociated using an electron beam or an ultraviolet laser beam. 8) …”

Section: Ecd and Eieiomentioning

confidence: 99%

Development of a Branched Radio-Frequency Ion Trap for Electron Based Dissociation and Related Applications

et al. 2017

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Collision-induced dissociation (CID) is the most common tool for molecular analysis in mass spectrometry to date. However, there are difficulties associated with many applications because CID does not provide sufficient information to permit details of the molecular structures to be elucidated, including post-translational-modifications in proteomics, as well as isomer differentiation in metabolomics and lipidomics. To face these challenges, we are developing fast electron-based dissociation devices using a novel radio-frequency ion trap (i.e., a branched ion trap). These devices have the ability to perform electron capture dissociation (ECD) on multiply protonated peptide/proteins; in addition, the electron impact excitation of ions from organics (EIEIO) can be also performed on singly charged molecules using such a device. In this article, we review the development of this technology, in particular on how reaction speed for EIEIO analyses on singly charged ions can be improved. We also overview some unique, recently reported applications in both lipidomics and glycoproteomics.

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Electron-based fragmentation methods in mass spectrometry: An overview

Cited by 49 publications

References 92 publications

A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

Free radical‐initiated peptide sequencing (FRIPS)‐based cross‐linkers for improved peptide and protein structure analysis

Development of a Branched Radio-Frequency Ion Trap for Electron Based Dissociation and Related Applications

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