ArticleJournal of forensic sciences2023
NIST Mass Spectrometry Data Center standard reference libraries and software tools: Application to seized drug analysis.
Article in Journal of forensic sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
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- Interactive Software for Interpreting and Curating High-Resolution Electron Ionization Mass Spectra.Journal of mass spectrometry : JMS · 2026Article
- NIST Polymer Pyrolysis Search: A New Pyrolysis GC-MS Search Program and Mass Spectral Reference Library.Environmental science & technology · 2026Article
- MutAIverse: an AI-powered, mechanism-backed platform for discovering novel DNA adducts and their precursor genotoxins.Journal of cheminformatics · 2026Article
- Structure-informed deep generation enables de novo metabolite annotation in untargeted metabolomics.Nature communications · 2026Article
- Implementing Annotation Confidence Scoring in Untargeted Mass Spectrometry Workflows for Small Molecule Analysis.Analytical chemistry · 2026Article
- Phenazine-Based Homogeneous Photocatalysts for Visible-Light-Driven Hydrogenation of Nitroarenes Under Mild Conditions.Molecules (Basel, Switzerland) · 2026Article
- ChemEmbed: a deep learning framework for metabolite identification using enhanced MS/MS data and multidimensional molecular embeddings.Briefings in bioinformatics · 2026Article
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- Chemical Analysis of Native Himalayan Shilajit: An Evaluation of an Ayurvedic Formulation.ACS omega · 2025Article
- Leveraging chemical synthesis to discover metabolites from the gut microbiome.Annals of the New York Academy of Sciences · 2025Review
- Antibacterial Essential Oils as Adjuvants to Inhibit Antibiotic Resistance in Multidrug-resistant Bacteria.Chemistry & biodiversity · 2025Article
- Simplistic Software for Analyzing Mass Spectra and a Mixed Experimental-Theoretical Database for Identifying Poisonous and Explosive Substances.Journal of computational chemistry · 2025Article
- TopLib: Building and Searching Top-Down Mass Spectral Libraries for Proteoform Identification.Analytical chemistry · 2025Article
- Herbal extract fermented with inherent microbiota improves intestinal health by exerting antioxidant and anti-inflammatory effects in vitro and in vivo.Journal of animal science and biotechnology · 2025Article
- Characterization of Ultraviolet-Degraded Polyethylene Terephthalate Film Using a Complementary Approach: Reactive Pyrolysis-Gas Chromatography-Mass Spectrometry and Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry.Mass spectrometry (Tokyo, Japan) · 2025Article
- Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling.Journal of chemical information and modeling · 2024Article
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2 authors.
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Abstract
The standard reference libraries and associated custom software provided by the National Institute of Standards and Technology's Mass Spectrometry Data Center (NIST MSDC) are described with a focus on assisting the seized drug analyst with the identification of fentanyl-related substances (FRS). These tools are particularly useful when encountering novel substances when no certified sample is available. The MSDC provides three standard reference mass spectral libraries, as well as six software packages for mass spectral analysis, reference library searching, data interpretation, and measurement uncertainty estimation. Each of these libraries and software packages are described with references to the original publications provided. Examples of fentanyl identification by gas chromatography-mass spectrometry (GC-MS) and by direct analysis in real-time (DART) mass spectrometry are given. A link to online tutorials is provided.
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