Compound Discoverer 3.3 SP2 released

We are happy to announce that Compound Discoverer 3.3 SP2 software is now available for download. To access your software from the download site, log in to your account here:

Enhancements in the Compound Discoverer 3.3 SP2 application

• The Spectral Libraries library includes one additional mass spectral library: the Epoxidized Soybean Oil Library

AN001586, which is a mass spectral library generated from compounds identified in epoxidized soybean oil.

• The Mass Lists library includes four new mass lists:

– Three new mass lists for the identification of PFAS compounds: PFAS_NIST, PFAS_NEG, and Chemical List PFASSTRUCT-2022-04-20

– The Food Contact Chemicals database mass list (FCCDB_2022)

• The Mass Lists library also includes two updated mass lists:

– The LipidMaps Structure Database mass list has been updated to the latest version 2023-01-11.

– The Extractables and Leachables HRAM Compound Database – 2023 Update has been expanded to 2,662


• The Compound Classes library includes the following two new compound class files for the identification of

PFAS compounds:

– PFAS Fine structure fragment_lib

– PFAS General from FluoroMatch Suite

• A new processing workflow template for identifying per- and polyfluoroalkyl substances (PFAS) has been added

to the set of templates for LC studies.

• The Transformations list includes one new transformation reaction: PFAS Chain Shortening (for PFAS


• The limit for the number of compounds that you can export to the molecular networks viewer has been

increased to 3,000.

• A new tutorial for the mapping of biological pathways using the BioCyc Genome Database Collection has been

added to the set of user guides and tutorials that you can access from the Help > Manuals menu

About Ralf Tautenhahn

Platform Manager Metabolomics Software

Posted on April 12, 2023, in Uncategorized. Bookmark the permalink. Leave a comment.

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