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Updates
Exciting news! HighResNPS.com is now administered and supported by
The International Association of Forensic Toxicologists (TIAFT)
! More info to come...
- The
HighResNPS June 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) and
Bruker DataAnalysis
(.csv),
Waters UNIFI
(.ulc),
Thermo TraceFinder
(.cdb) &
mzVault
(.msp),
Shimadzu
(.csv),
Progenesis QI
(.sdf + .msp),
Structure Data File
(.sdf) and
Excel
(.xlsx)). The libraries contain 2,326 compounds, of which, 1,666 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 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
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
https://opsin.ch.cam.ac.uk/
can be very helpful for generating InChIKeys and SMILES
Requests
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,
Thermo
Orbitrap MS and
Shimadzu
QTOF MS.
HighResNPS.com currently contains more than
6,700
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.