TY - CONF
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 - 2017/11
Y1 - 2017/11
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
UR - https://www.nature.com/articles/nmeth.4470
M3 - Poster
T2 - European Summit of Industrial Biotechnology
Y2 - 14 November 2017 through 16 November 2017
ER -