LipidBlast in silico tandem mass spectrometry database for lipid identification
Nature methods, 2013•nature.com
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.
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.
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.
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