Quantitative Fragmentation Model for Bottom-Up Shotgun Lipidomics Article Swipe
Kai Schuhmann
,
HongKee Moon
,
Henrik Thomas
,
Jacobo Miranda Ackerman
,
Michael Groessl
,
Nicolai Wagner
,
Markus Kellmann
,
Ian Henry
,
André Nadler
,
Andrej Shevchenko
·
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.1021/acs.analchem.9b03270
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.1021/acs.analchem.9b03270
Quantitative bottom-up shotgun lipidomics relies on molecular species-specific "signature" fragments consistently detectable in tandem mass spectra of analytes and standards. Molecular species of glycerophospholipids are typically quantified using carboxylate fragments of their fatty acid moieties produced by higher-energy collisional dissociation of their molecular anions. However, employing standards whose fatty acids moieties are similar, yet not identical, to the target lipids could severely compromise their quantification. We developed a generic and portable fragmentation model implemented in the open-source LipidXte software that harmonizes the abundances of carboxylate anion fragments originating from fatty acid moieties having different sn-1/2 positions at the glycerol backbone, length of the hydrocarbon chain, and number and location of double bonds. The postacquisition adjustment enables unbiased absolute (molar) quantification of glycerophospholipid species independent of instrument settings, collision energy, and employed internal standards.
Related Topics
Concepts
Chemistry
Glycerophospholipids
Glycerophospholipid
Lipidomics
Fragmentation (computing)
Tandem mass spectrometry
Carboxylate
Collision-induced dissociation
Mass spectrometry
Chromatography
Analytical Chemistry (journal)
Stereochemistry
Phospholipid
Biochemistry
Membrane
Operating system
Computer science
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.analchem.9b03270
- OA Status
- hybrid
- Cited By
- 25
- References
- 32
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2969231064
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W2969231064Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.analchem.9b03270Digital Object Identifier
- Title
-
Quantitative Fragmentation Model for Bottom-Up Shotgun LipidomicsWork title
- Type
-
articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
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2019Year of publication
- Publication date
-
2019-08-23Full publication date if available
- Authors
-
Kai Schuhmann, HongKee Moon, Henrik Thomas, Jacobo Miranda Ackerman, Michael Groessl, Nicolai Wagner, Markus Kellmann, Ian Henry, André Nadler, Andrej ShevchenkoList of authors in order
- Landing page
-
https://doi.org/10.1021/acs.analchem.9b03270Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
hybridOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.1021/acs.analchem.9b03270Direct OA link when available
- Concepts
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Chemistry, Glycerophospholipids, Glycerophospholipid, Lipidomics, Fragmentation (computing), Tandem mass spectrometry, Carboxylate, Collision-induced dissociation, Mass spectrometry, Chromatography, Analytical Chemistry (journal), Stereochemistry, Phospholipid, Biochemistry, Membrane, Operating system, Computer scienceTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
25Total citation count in OpenAlex
- Citations by year (recent)
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2025: 3, 2024: 1, 2023: 4, 2022: 10, 2021: 3Per-year citation counts (last 5 years)
- References (count)
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32Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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