ArticleAnalytical chemistry2014
LipidBlast templates as flexible tools for creating new in-silico tandem mass spectral libraries.
Article in Analytical chemistry, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 35 papers.
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Who cites it
35 citing papers in PubMed.
- Listening to Cellular Whispers through Glycosphingolipids: A Comprehensive Review of Recent Advancements in Glycosphingolipid Analysis and Annotation.Analytical chemistry · 2026Review
- A comprehensive database for high-throughput identification of archaeal lipids using high-resolution mass spectrometry.Nature communications · 2025Article
- Review
- Research on Lipidomic Profiling and Biomarker Identification for Osteonecrosis of the Femoral Head.Biomedicines · 2024Article
- LipiDex 2 Integrates MSAnalytical chemistry · 2024Article
- Meibum Lipidomic Analysis in Evaporative Dry Eye Subjects.International journal of molecular sciences · 2024Article
- IDSL_MINT: a deep learning framework to predict molecular fingerprints from mass spectra.Journal of cheminformatics · 2024Article
- A Critical Overview of HPLC-MS-Based Lipidomics in Determining Triacylglycerol and Phospholipid in Foods.Foods (Basel, Switzerland) · 2023Review
- Article
- Article
- Lipidomic chemotaxonomy aligned with phylogeny of Halobacteria.Frontiers in microbiology · 2023Article
- A Current Encyclopedia of Bioinformatics Tools, Data Formats and Resources for Mass Spectrometry Lipidomics.Metabolites · 2022Review
- Analysis and Comparison of Mouse and Human Brain Gangliosides via Two-Stage Matching of MS/MS Spectra.ACS omega · 2022Article
- HIGH RESOLUTION MASS SPECTROMETRY IN LIPIDOMICS.Mass spectrometry reviews · 2021Review
- Comparison of lipidome profiles of Caenorhabditis elegans-results from an inter-laboratory ring trial.Metabolomics : Official journal of the Metabolomic Society · 2021Article
- Characterization of Glycosphingolipids and Their Diverse Lipid Forms through Two-Stage Matching of LC-MS/MS Spectra.Analytical chemistry · 2021Article
- Analytical Methodologies for Lipidomics in Hemp Plant.Methods in molecular biology (Clifton, N.J.) · 2021Article
- The Emerging and Diverse Roles of Bis(monoacylglycero) Phosphate Lipids in Cellular Physiology and Disease.International journal of molecular sciences · 2020Review
- In-Silico-Generated Library for Sensitive Detection of 2-Dimethylaminoethylamine Derivatized FAHFA Lipids Using High-Resolution Tandem Mass Spectrometry.Analytical chemistry · 2020Article
- Lipidomics from sample preparation to data analysis: a primer.Analytical and bioanalytical chemistry · 2020Review
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4 authors.
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Abstract
Tandem 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 publicly available LipidBlast templates are universally applicable for the development of MS/MS libraries for novel lipid classes.
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