MS-FINDER and SIRIUS for phenolic compound identification from high-resolution mass spectrometry data

Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

Emma Schymanski, Junho Jeon, Rebekka Gulde et al. · Environmental Science & Technology · 2014 · 4.2K citations · Full text

Natural Sciences, Chemistry, Toxicology +11

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

Kai Dührkop, Markus Fleischauer, Marcus Ludwig et al. · Nature Methods · 2019 · 2K citations · Full text

Life Sciences, Biochemistry, Chemistry +17

Hierarchical Scheme for LC-MS<i>ⁿ</i> Identification of Chlorogenic Acids

Michael N. Clifford, Kelly L. Johnston, Susan Knight et al. · Journal of Agricultural and Food Chemistry · 2003 · 1.2K citations

Natural Sciences, Chemistry, Chromatographic Analysis +10

Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software

Hiroshi Tsugawa, Tobias Kind, Ryo Nakabayashi et al. · Analytical Chemistry · 2016 · 682 citations · Full text

Natural Sciences, Biochemistry, Chemistry +16

CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification

Yannick Djoumbou-Feunang, Allison Pon, Naama Karu et al. · Metabolites · 2019 · 264 citations · Full text

Life Sciences, Biochemistry, Analytical Chemistry +16