Exciting news! HighResNPS.com is now administered and supported by The International Association of Forensic Toxicologists (TIAFT) !

- The HighResNPS October 2024 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) & Bruker DataAnalysis (.csv)
• Waters UNIFI (.ulc)
• Thermo TraceFinder (.cdb) & mzVault (.msp)
• Shimadzu (.csv)
• Progenesis QI (.sdf + .msp)
• Excel (.xlsx)

The libraries contain 2,339 compounds , of which, 1,700 have product ion data.

- You can now receive the HighResNPS database with predicted retention times specific to your LC method. That’s retention times for over 2,300 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

- 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

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 product 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
• Shimadzu QTOF MS

HighResNPS.com currently contains more than 7,200 entries (where more than 2,300 entries are unique).

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