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- The HighResNPS July 2020 libraries are almost ready to be downloaded from HighResNPS.com. The HighResNPS consensus libraries will be available in the following formats:
(.cdb + inclusion list),
(.sdf + .msp),
Structure Data File
(.xlsx)). The libraries contain 1828 compounds. 1031 of the compounds have fragment data.
- 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 HRMSMS 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
QTOF MS or
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.