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Updates
- The HighResNPS December 2019 library is ready to be downloaded from HighResNPS.com. It is available in four formats (Agilent, Sciex, Waters and Excel). The library contains 1530 compounds. 772 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 8 entries on each NPS.

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

- The webpage https://opsin.ch.cam.ac.uk/ can be very helpful for generating InChIKeys and SMILES
Requests
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)

- 5-MAPB (1-(1-benzofuran-5-yl)-N-methylpropan-2-amine)
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 or Thermo Orbitrap MS.

HighResNPS.com currently contains more than 2500 entries (where more than 1500 entries are unique).

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