Links to Work by Others


Here are some of my favorite mass spec links to other publications and websites.

Advances in structure elucidation of small molecules using mass spectrometry by Tobias Kind and Oliver Fiehn (paper)

Best Practice Guide for Generating Mass Spectra

Targeted and Non-Targeted Screening for Drugs with High Confidence using the AB SCIEX TripleTOF™ 4600 System and Intuitive Data Processing tools by Adrian Taylor et al. (application note)

MS Interpreter:  An Automated Method for Verifying Structure-Spectral Consistency Based on Ion Thermochemistry by Steve Stein et al. (poster)

Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm by Tobias Kind and Oliver Fiehn (paper)

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry by Tobias Kind and Oliver Fiehn (paper)

Structure Elucidation of Small Molecules by Tobias Kind (website)

A Critical Analysis of Data Exchange Practices in Chemistry by Tobias Kind et al. (paper)

In silico fragmentation for computer assisted identification of metabolite mass spectra by Steven Neumann et al. (paper)

Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification by Steve Stein (paper)

The History of the NIST/EPA/NlH Mass Spectral Database by Stephen R. Heller (magazine article)

An introduction to quadrupole-time-of-flight mass spectrometry by B A Thomson et al. (paper)

Doubly Charged Ion Spectra in Mass Spectra of Hydrocarbons (paper)

Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry, H Zhang et al. (abstract)

Drug Metabolite Profiling and Identification by High-resolution Mass Spectrometry by G. Humphries et al. (review paper)

Mass Spectrometry Adduct Calculator by Tobias Kind (website)

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