GNPS Public Spectral Libraries


Library Name View Description
All GNPS Library Spectra View This contains all available spectra available publically for search at GNPS excluding third party libraries.
GNPS Library View The GNPS library contains natural product compounds from user contributions.
FDA Library Pt 1 View Approved drug library from Selleckchem Part 1 run by Sirenas MD.
FDA Library Pt 2 View This set of reference compounds generated by the Dorrestein Lab contains 535 FDA natural product compounds complements part 1.
PhytoChemical Library View 140 compounds from the Prestwick Phytochemical Library generated by the Dorrestein Lab.
NIH Clinical Collection 1 View 327 compounds from the NIH Clinical Collection 1 generated by the Dorrestein Lab. Further information about the collection can be found here .
NIH Clinical Collection 2 View 164 compounds from the NIH Clinical Collection 2 generated by the Dorrestein Lab. Further information about the collection can be found here .
NIH Natural Products Library Round 1 View 1256 compounds from the NIH Natural Products Library generated by the Dorrestein Lab. Further information about the collection can be found here .
NIH Natural Products Library Round 2 Positive
Negative
4545 compounds from the NIH Natural Products Library [NPAC ACONN] provided by Jadhav Ajit (NIH/NCATS) and generated by the Dorrestein Lab (UCSD).
Pharmacologically Active Compounds in the NIH Small Molecule Repository View 1460 compounds from the Pharmacologically Active Compounds in the NIH Small Molecule Repository generated by the Dorrestein Lab.
Faulkner Legacy Library provided by Sirenas MD View 127 compounds from the Faulkner natural product legacy library.
EMBL Metabolomics Core Facility (EMBL MCF) View Standards run by EMBL Metabolomics Core Facility (EMBL MCF)
Pesticides Positive
Negative
Pesticide MS/MS spectral library (204 compounds) generated by the Dorrestein Lab and the CNRS. Run on Q-Exactive and Maxis mass spectrometer in both positive and negative ionisation mode.
GNPS Matches to NIST14 View 5,763 High confidence matches to NIST14 MS/MS library spectra.
GNPS Collections Miscellaneous View Miscellaneous reference compounds run specifically for GNPS-Collections
Dereplicator Identified MS/MS Spectra View MS/MS spectra identified in GNPS Public data automatically by dereplicator tool. Searching various compound databases, including marinlit, etc. and best matching MS/MS spectra with significant p-values.
Pacific Northwest National Lab (PNNL) Lipids Positive
Negative
MS/MS spectra from 1790 Lipids provided by Thomas Metz's group at the Pacific Northwest National Lab (PNNL), collected in positive/negative ionisation mode and multiple collision energy. Most compounds were annotated using LIQUID tool in real samples.
Massbank Spectral Library (3rd Party) View ESI Positive MS/MS spectra from Massbank.
Massbank EU Spectral Library (3rd Party) View MS/MS spectra from Massbank EU that are not included in Massbank JP.
Massbank NA Spectral Library (3rd Party) View MS/MS spectra from Massbank NA that were not present in Massbank JP.
ReSpect Spectral Library (3rd Party) View ESI Positive MS/MS spectra from ReSpect for Phytochemicals.
HMDB Spectral Library (3rd Party) View MS/MS spectra from HMDB.
CASMI Spectral Library (3rd Party) View MS/MS spectra from the CASMI challenges 2014 and 2016. The CASMI is an open contest on the identification of small molecules.

Recent GNPS-Community Library Additions


Copyright © 2017. Last modified: 2017-12-04. Version 1.3.0-GNPS.