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Intensity-Independent Noise Filtering in FT MS and FT MS/MS Spectra for Shotgun Lipidomics.
Schuhmann, Kai; Thomas, Henrik; Ackerman, Jacobo Miranda; Nagornov, Konstantin O; Tsybin, Yury O; Shevchenko, Andrej.
Afiliação
  • Schuhmann K; MPI of Molecular Cell Biology and Genetics , 01307 Dresden, Germany.
  • Thomas H; MPI of Molecular Cell Biology and Genetics , 01307 Dresden, Germany.
  • Ackerman JM; MPI of Molecular Cell Biology and Genetics , 01307 Dresden, Germany.
  • Nagornov KO; Spectroswiss , EPFL Innovation Park, 1015 Lausanne, Switzerland.
  • Tsybin YO; Spectroswiss , EPFL Innovation Park, 1015 Lausanne, Switzerland.
  • Shevchenko A; MPI of Molecular Cell Biology and Genetics , 01307 Dresden, Germany.
Anal Chem ; 89(13): 7046-7052, 2017 07 05.
Article em En | MEDLINE | ID: mdl-28570056
Shotgun lipidomics relies on the direct infusion of total lipid extracts into a high resolution tandem mass spectrometer. A single shotgun analysis produces several hundred of densely populated FT MS and FT MS/MS spectra, each of which might comprise thousands of peaks although a very small percentage of those belong to lipids. Eliminating noise by adjusting a minimal peak intensity threshold is biased and inefficient since lipid species and classes vary in their natural abundance and ionization capacity. We developed a method of peak intensity-independent noise filtering in shotgun FT MS and FT MS/MS spectra that capitalizes on a stable composition of the infused analyte leading to consistent time-independent detection of its bona fide components. Repetition rate filtering relies on a single quantitative measure of peaks detection reproducibility irrespectively of their absolute intensities, masses, or assumed elemental compositions. In comparative experiments, it removed more than 95% of signals detectable in shotgun spectra without compromising the accuracy and scope of lipid identification and quantification. It also accelerated spectra processing by 15-fold and increased the number of simultaneously processed spectra by ∼500-fold hence eliminating the major bottleneck in high-throughput bottom-up shotgun lipidomics.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas em Tandem / Lipídeos Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas em Tandem / Lipídeos Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article