LipidBlast in silico tandem mass spectrometry database for lipid identification

Tobias Kind; Kwang Hyeon Liu; Do Yup Lee; Brian Defelice; John K. Meissen; Oliver Fiehn

doi:10.1038/nmeth.2551

LipidBlast in silico tandem mass spectrometry database for lipid identification

Tobias Kind, Kwang Hyeon Liu, Do Yup Lee, Brian Defelice, John K. Meissen, Oliver Fiehn

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738 Scopus citations

Abstract

Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer-generated tandem mass spectral library of 212,516 spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. We show platform independence by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.

Original language	English
Pages (from-to)	755-758
Number of pages	4
Journal	Nature Methods
Volume	10
Issue number	8
DOIs	https://doi.org/10.1038/nmeth.2551
State	Published - Aug 2013

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10.1038/nmeth.2551

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abstract = "Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer-generated tandem mass spectral library of 212,516 spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. We show platform independence by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.",

author = "Tobias Kind and Liu, {Kwang Hyeon} and Lee, {Do Yup} and Brian Defelice and Meissen, {John K.} and Oliver Fiehn",

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AU - Liu, Kwang Hyeon

AU - Lee, Do Yup

AU - Defelice, Brian

AU - Meissen, John K.

AU - Fiehn, Oliver

PY - 2013/8

Y1 - 2013/8

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AB - Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer-generated tandem mass spectral library of 212,516 spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. We show platform independence by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.

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LipidBlast in silico tandem mass spectrometry database for lipid identification

Abstract

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