Protocol for community‐created public MS/MS reference spectra within the Global Natural Products Social Molecular Networking infrastructure
Abstract
A major hurdle in identifying chemicals in mass spectrometry experiments is the availability of tandem mass spectrometry (MS/MS) reference spectra in public databases. Currently, scientists purchase databases or use public databases such as Global Natural Products Social Molecular Networking (GNPS). The MSMS‐Chooser workflow is an open‐source protocol for the creation of MS/MS reference spectra directly in the GNPS infrastructure.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 28, 2020
- Source ID
- 10.1002/rcm.8725
Entities
People
- Alan K Jarmusch
- Andrés Mauricio Caraballo-Rodriguez
- Emily C Gentry
- Fernando Vargas
- Kelly Weldon
- Mingxun Wang
- Morgan W. Panitchpakdi
- Nicole Sikora
- Pieter C. Dorrestein
- Zheng Zhang
Organizations
- National Science Foundation
- Office of Naval Research
- University of California, San Diego