Deciphering lipid structures based on platform-independent decision rules

Jürgen Hartler, Alexander Triebl, Andreas Ziegl, Martin Trötzmüller, Gerald N Rechberger, Oana Alina Zeleznik, Kathrin A Zierler, Federico Torta, Amaury Cazenave-Gassiot, Markus R Wenk, Alexander Fauland, Craig E Wheelock, Aaron M Armando, Oswald Quehenberger, Qifeng Zhang, Michael JO Wakelam, Guenter Haemmerle, Friedrich Spener, Harald C Köfeler, Gerhard G Thallinger

Publikation: KonferenzbeitragPosterForschung

Abstract

LC-MS is the method of choice to measure quantitative changes of hundreds of lipids in complex mixtures simultaneously. However,many lipid species are isobaric, resulting inambiguities about the true identity of the lipid in MS1 data. MSn spectra carry the potential to elucidate many structural features of lipid species: the lipid class, their constituent fatty acids, and in most cases the sn-position. However, MSn spectra of a lipid can vary tremendously, because the fragmentation process depends on parameters such as mass spectrometer used, collision energy, and adduct ions. As currently available tools use static databases containing fragment masses,and are as such limited to specific instrumental-setups, we developed a flexible algorithm for automatic identification of lipid structures.

Originalspracheenglisch
PublikationsstatusVeröffentlicht - 18 Okt 2017
Veranstaltung2nd FoE Day Human- & Biotechnology - HS E3.1, Petersgasse 10-12, Graz, Österreich
Dauer: 18 Okt 201718 Okt 2017

Sonstiges

Sonstiges2nd FoE Day Human- & Biotechnology
LandÖsterreich
OrtGraz
Zeitraum18/10/1718/10/17

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Lipids
Mass spectrometers
Complex Mixtures
Fatty Acids
Ions

Schlagwörter

    Fields of Expertise

    • Human- & Biotechnology
    • Information, Communication & Computing

    Treatment code (Nähere Zuordnung)

    • Application

    Kooperationen

    • BioTechMed-Graz

    Dies zitieren

    Hartler, J., Triebl, A., Ziegl, A., Trötzmüller, M., Rechberger, G. N., Zeleznik, O. A., ... Thallinger, G. G. (2017). Deciphering lipid structures based on platform-independent decision rules. Postersitzung präsentiert bei 2nd FoE Day Human- & Biotechnology , Graz, Österreich.

    Deciphering lipid structures based on platform-independent decision rules. / Hartler, Jürgen; Triebl, Alexander; Ziegl, Andreas; Trötzmüller, Martin; Rechberger, Gerald N; Zeleznik, Oana Alina; Zierler, Kathrin A; Torta, Federico; Cazenave-Gassiot, Amaury; Wenk, Markus R; Fauland, Alexander; Wheelock, Craig E; Armando, Aaron M; Quehenberger, Oswald; Zhang, Qifeng; Wakelam, Michael JO; Haemmerle, Guenter; Spener, Friedrich; Köfeler, Harald C; Thallinger, Gerhard G.

    2017. Postersitzung präsentiert bei 2nd FoE Day Human- & Biotechnology , Graz, Österreich.

    Publikation: KonferenzbeitragPosterForschung

    Hartler, J, Triebl, A, Ziegl, A, Trötzmüller, M, Rechberger, GN, Zeleznik, OA, Zierler, KA, Torta, F, Cazenave-Gassiot, A, Wenk, MR, Fauland, A, Wheelock, CE, Armando, AM, Quehenberger, O, Zhang, Q, Wakelam, MJO, Haemmerle, G, Spener, F, Köfeler, HC & Thallinger, GG 2017, 'Deciphering lipid structures based on platform-independent decision rules' 2nd FoE Day Human- & Biotechnology , Graz, Österreich, 18/10/17 - 18/10/17, .
    Hartler J, Triebl A, Ziegl A, Trötzmüller M, Rechberger GN, Zeleznik OA et al. Deciphering lipid structures based on platform-independent decision rules. 2017. Postersitzung präsentiert bei 2nd FoE Day Human- & Biotechnology , Graz, Österreich.
    Hartler, Jürgen ; Triebl, Alexander ; Ziegl, Andreas ; Trötzmüller, Martin ; Rechberger, Gerald N ; Zeleznik, Oana Alina ; Zierler, Kathrin A ; Torta, Federico ; Cazenave-Gassiot, Amaury ; Wenk, Markus R ; Fauland, Alexander ; Wheelock, Craig E ; Armando, Aaron M ; Quehenberger, Oswald ; Zhang, Qifeng ; Wakelam, Michael JO ; Haemmerle, Guenter ; Spener, Friedrich ; Köfeler, Harald C ; Thallinger, Gerhard G. / Deciphering lipid structures based on platform-independent decision rules. Postersitzung präsentiert bei 2nd FoE Day Human- & Biotechnology , Graz, Österreich.
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    abstract = "LC-MS is the method of choice to measure quantitative changes of hundreds of lipids in complex mixtures simultaneously. However,many lipid species are isobaric, resulting inambiguities about the true identity of the lipid in MS1 data. MSn spectra carry the potential to elucidate many structural features of lipid species: the lipid class, their constituent fatty acids, and in most cases the sn-position. However, MSn spectra of a lipid can vary tremendously, because the fragmentation process depends on parameters such as mass spectrometer used, collision energy, and adduct ions. As currently available tools use static databases containing fragment masses,and are as such limited to specific instrumental-setups, we developed a flexible algorithm for automatic identification of lipid structures.",
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    T1 - Deciphering lipid structures based on platform-independent decision rules

    AU - Hartler, Jürgen

    AU - Triebl, Alexander

    AU - Ziegl, Andreas

    AU - Trötzmüller, Martin

    AU - Rechberger, Gerald N

    AU - Zeleznik, Oana Alina

    AU - Zierler, Kathrin A

    AU - Torta, Federico

    AU - Cazenave-Gassiot, Amaury

    AU - Wenk, Markus R

    AU - Fauland, Alexander

    AU - Wheelock, Craig E

    AU - Armando, Aaron M

    AU - Quehenberger, Oswald

    AU - Zhang, Qifeng

    AU - Wakelam, Michael JO

    AU - Haemmerle, Guenter

    AU - Spener, Friedrich

    AU - Köfeler, Harald C

    AU - Thallinger, Gerhard G

    PY - 2017/10/18

    Y1 - 2017/10/18

    N2 - LC-MS is the method of choice to measure quantitative changes of hundreds of lipids in complex mixtures simultaneously. However,many lipid species are isobaric, resulting inambiguities about the true identity of the lipid in MS1 data. MSn spectra carry the potential to elucidate many structural features of lipid species: the lipid class, their constituent fatty acids, and in most cases the sn-position. However, MSn spectra of a lipid can vary tremendously, because the fragmentation process depends on parameters such as mass spectrometer used, collision energy, and adduct ions. As currently available tools use static databases containing fragment masses,and are as such limited to specific instrumental-setups, we developed a flexible algorithm for automatic identification of lipid structures.

    AB - LC-MS is the method of choice to measure quantitative changes of hundreds of lipids in complex mixtures simultaneously. However,many lipid species are isobaric, resulting inambiguities about the true identity of the lipid in MS1 data. MSn spectra carry the potential to elucidate many structural features of lipid species: the lipid class, their constituent fatty acids, and in most cases the sn-position. However, MSn spectra of a lipid can vary tremendously, because the fragmentation process depends on parameters such as mass spectrometer used, collision energy, and adduct ions. As currently available tools use static databases containing fragment masses,and are as such limited to specific instrumental-setups, we developed a flexible algorithm for automatic identification of lipid structures.

    KW - Algorithms

    KW - Animals

    KW - Chromatography, Liquid

    KW - Lipids

    KW - Liver

    KW - Mice

    KW - Molecular Structure

    KW - Reproducibility of Results

    KW - Sensitivity and Specificity

    KW - Tandem Mass Spectrometry

    KW - Journal Article

    KW - Lipidomics

    KW - High-throughput screening

    KW - Mass spectrometry

    KW - Software

    KW - Lipid fragmentation

    KW - Decision rules

    M3 - Poster

    ER -