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*   Using the HighChem Spectral Tree Library
The HighChem spectral trees (MSn spectra) are available in the Mass Frontier application. This collection1 contains high quality ion trap spectra of human and veterinary pharmaceuticals, endogenous metabolites, drugs of abuse, and doping agents. The library contains spectral trees acquired by electrospray ionization (ESI) in both the positive and negative ion modes. Each spectral tree contains a name, structure, and CAS number. The HighChem Spectral Tree Library contains more than 13 000 individual spectra of 1251 positive and 524 negative ESI spectral trees. In addition, 702 positive and 263 negative ESI spectral trees are associated with fragmentation mechanisms2.

The HighChem spectral trees

IMPORTANT  HighChem owns all the intellectual property rights to spectral, structural, and fragmentation data in the HighChem Spectral Tree Library. You may not copy, translate, distribute, publish, or use this data in connection with other applications without the written approval of HighChem, Ltd., Slovak Republic.

1
Compiled by Dr. Ernst Pittenauer, Vienna University of Technology, Getreidemarkt 9/164, A-1060 Vienna, Austria and Dr. Petr Simek, Academy of Sciences of the Czech Republic, Branisovska 3, CZ-37005 Ceske Budejovice, Czech Republic

2
Dr. Ernst Pittenauer, Vienna University of Technology, Getreidemarkt 9/164, A-1060 Vienna, Austria


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