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Updates
- The HighResNPS April 2021 libraries are ready to be downloaded from HighResNPS.com. The HighResNPS consensus libraries are available in the following formats: Agilent MassHunter (.cdb), Sciex (.lpb), Bruker TASQ (.csv) and Bruker DataAnalysis (.csv), Waters UNIFI (.ulc), Thermo TraceFinder (.cdb) & mzVault (.msp), Shimadzu (.mlb), Progenesis QI (.sdf + .msp), Structure Data File (.sdf) and Excel (.xlsx)). The libraries contain 2119 compounds, of which, 1416 have fragment data.

- You can now receive the HighResNPS database with predicted retention times specific to your LC method. That’s retention times for over 2100 compounds!

- The main page of HighResNPS now contains the consensus data for all unique compounds. You can also view the consensus ("artificial") spectrum for compounds that have product ions recorded.

- Use Google Chrome for HighResNPS
Did you know...
- We will never agree on the NPS name, the SMILES string or the IUPAC name, but we can always agree on the InChIKey

- Duplicate NPS entries are welcome on HighResNPS. They help to self-validate the database and are used to make the “Consensus and unique” library. Ideally there should be 3 or more entries on each NPS.

- The webpage https://opsin.ch.cam.ac.uk/ can be very helpful for generating InChIKeys and SMILES
Requests
Can anyone provide the HR-MS/MS fragment data for:

- MDPHiP 1-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrrolidin-1-yl-pentan-1-one

- O-AMKD 3-(4-acetyl-1-methylpiperidin-4-yl)phenyl acetate

YouTube
How to Search part of InChIKey on HighResNPS youtube

Adding compounds to HighResNPS youtube
HighResNPS
HighResNPS.com is a crowd-sourced mass spectral database for HR-MS screening of New Psychoactive Substances (NPS).

The database can be used for direct searches on compound names and exact mass of precursor and/or fragment ions.
Also, the database can be downloaded and converted to a suspect library for Agilent QTOF MS, Bruker QTOF MS, Waters QTOF MS, Sciex QTOF MS, Thermo Orbitrap MS and Shimadzu QTOF MS.

HighResNPS.com currently contains more than 5200 entries (where more than 2100 entries are unique).

HighResNPS.com is only intended for a closed user group and not open to the general public.