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- With a new year comes new changes! 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.
- The HighResNPS December 2020 libraries are ready to be downloaded from HighResNPS.com. The HighResNPS consensus libraries are available in the following formats:
(.sdf + .msp),
Structure Data File
(.xlsx)). The libraries contain 2047 compounds, of which, 1360 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 2000 compounds!
- 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
can be very helpful for generating InChIKeys and SMILES
Can anyone provide the HR-MS/MS fragment data for:
How to Search part of InChIKey on HighResNPS
Adding compounds to 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
Orbitrap MS and
HighResNPS.com currently contains more than
entries (where more than
entries are unique).
HighResNPS.com is only intended for a closed user group and not open to the general public.