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GNPS MS/MS Spectral Libraries List

Pardon our dust this is a work in progress!

Here are all spectral libraries at GNPS.

To download the spectra, go to here.

View Title Description
View All Public Spectra at GNPS This contains all available spectra available publically for search at GNPS. All interactively explore fragmentation with our new visualizations.
View GNPS Community Library The GNPS library contains compounds from user contributions.
View FDA Library Pt 1 Approved drug library from Selleckchem Part 1 run by Sirenas MD.
View FDA Library Pt 2 This set of reference compounds generated by the Dorrestein Lab contains 535 FDA natural product compounds complements part 1.
View PhytoChemical Library 140 compounds from the Prestwick Phytochemical Library generated by the Dorrestein Lab.
View NIH Clinical Collection 1 327 compounds from the NIH Clinical Collection 1 generated by the Dorrestein Lab. Further information about the collection can be found here.
View NIH Clinical Collection 2 164 compounds from the NIH Clinical Collection 2 generated by the Dorrestein Lab. Further information about the collection can be found here.
View NIH Natural Products Library Round 1 1256 compounds from the NIH Natural Products Library generated by the Dorrestein Lab. Further information about the collection can be found here.
Positive
Negative
NIH Natural Products Library Round 2 The NIH Natural Products Library Round 2 was generated by the Dorrestein Lab (UC San Diego) from 4,545 compounds from the NIH ???ACONN??? Natural Products Library provided by Ajit Jadhav (NIH/NCATS) . The 2018 release contains fragmentation spectra collected on qTOF MS in positive (3,386) and negative (1,863) ionisation mode. The 2020 release includes additional MS/MS entries for the positive ionisation mode on qTOF (806) and Q-Exactive mass spectrometers (1,315) that were obtained using the Ion Identity Networking workflow. The spectral library was created by Louis-Felix Nothias, Mingxun Wang and Robin Schmid (UC San Diego).
View Pharmacologically Active Compounds in the NIH Small Molecule Repository 1460 compounds from the Pharmacologically Active Compounds in the NIH Small Molecule Repository generated by the Dorrestein Lab.
View Faulkner Legacy Library provided by Sirenas MD 127 compounds from the Faulkner natural product legacy library.
View EMBL Metabolomics Core Facility (EMBL MCF) Standards run by EMBL Metabolomics Core Facility (EMBL MCF)
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Last update: May 13, 2022 17:41:02