Add to ORKGTandem mass spectral libraries (MS/MS) are usually built by acquiring experimentally measured mass spectra from chemical reference compounds. We here show the versatility of in-silico or computer generated tandem mass spectra that are directly obtained from compound structures. We use the freely available LipidBlast development software to generate 15 000 MS/MS spectra of the glucuronosyldiacylglycerol (GlcADG) lipid class, recently discovered for the first time in plants. The generation of such an in-silico MS/MS library for positive and negative ionization mode took 5 h development time, including the validation of the obtained mass spectra. Such libraries allow for high-throughput annotations of previously unknown glycolipids. The public...
In recent years, proprietary and open-source bioinformatics software tools have been developed for t...
Improvements in mass spectrometry (MS)-based strategies for characterizing the plant lipidome throug...
Due to the complexity of lipids in nature, the use of in silico generated spectral libraries to iden...
Tandem mass spectral libraries (MS/MS) are usually built by acquiring experimentally measured mass s...
Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and...
<p>LipidBlast MS/MS spectra were modeled from fragmentation spectra of authentic reference standards...
Lipidomics has emerged as a new field that allows using various approaches to the chemical structure...
BackgroundA new lipid class named 'fatty acid esters of hydroxyl fatty acids' (FAHFA) was recently d...
In the last ten years, lipidomics has attracted increasing attention as a research tool in a wide ra...
Abstract Background Lipids are ubiquitous and serve numerous biological functions; thus lipids have ...
Cells, whether bacterial, fungal or mammalian, are all equipped with metabolic pathways capable of p...
We developed the Lipid Qualitative/Quantitative Analysis (LipidQA) software platform to identify and...
We achieve automated and reliable annotation of lipid species and their molecular structures in high...
Lipids are the main component of semipermeable cell membranes and linked to several important physio...
© 2021 Cheka Lumbini KehelpannalaLipids are important constituents of plants, performing many fundam...
In recent years, proprietary and open-source bioinformatics software tools have been developed for t...
Improvements in mass spectrometry (MS)-based strategies for characterizing the plant lipidome throug...
Due to the complexity of lipids in nature, the use of in silico generated spectral libraries to iden...
Tandem mass spectral libraries (MS/MS) are usually built by acquiring experimentally measured mass s...
Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and...
<p>LipidBlast MS/MS spectra were modeled from fragmentation spectra of authentic reference standards...
Lipidomics has emerged as a new field that allows using various approaches to the chemical structure...
BackgroundA new lipid class named 'fatty acid esters of hydroxyl fatty acids' (FAHFA) was recently d...
In the last ten years, lipidomics has attracted increasing attention as a research tool in a wide ra...
Abstract Background Lipids are ubiquitous and serve numerous biological functions; thus lipids have ...
Cells, whether bacterial, fungal or mammalian, are all equipped with metabolic pathways capable of p...
We developed the Lipid Qualitative/Quantitative Analysis (LipidQA) software platform to identify and...
We achieve automated and reliable annotation of lipid species and their molecular structures in high...
Lipids are the main component of semipermeable cell membranes and linked to several important physio...
© 2021 Cheka Lumbini KehelpannalaLipids are important constituents of plants, performing many fundam...
In recent years, proprietary and open-source bioinformatics software tools have been developed for t...
Improvements in mass spectrometry (MS)-based strategies for characterizing the plant lipidome throug...
Due to the complexity of lipids in nature, the use of in silico generated spectral libraries to iden...