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- Use Google Chrome for HighResNPS

- The HighResNPS March 2020 library is ready to be downloaded from It is available in four formats (Agilent, Waters and Excel). The library contains 1536 compounds. 783 of the compounds have fragment data.
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 to 9 entries on each NPS.

- You can help HighResNPS by monitoring a website and add missing NPS to HighResNPS

- The webpage can be very helpful for generating InChIKeys and SMILES
Can anyone provide the HRMSMS fragment data for:

- Hexylone (1-(1,3-benzodioxol-5-yl)-2-(methylamino)hexan-1-one)

- Nitromethaqualone (3-(2-Methoxy-4-nitrophenyl)-2-methylquinazolin-4-one)
How to Search part of InChIKey on HighResNPS youtube

Adding compounds to HighResNPS youtube
HighResNPS 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 or Thermo Orbitrap MS. currently contains more than 2700 entries (where more than 1700 entries are unique). is only intended for a closed user group and not open to the general public.