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