Small Molecule Identification with MOLGEN and Mass Spectrometry
This paper details the MOLGEN entries for the 2012 CASMI contest for small molecule identification to demonstrate structure elucidation using structure generation approaches. Different MOLGEN programs were used for different categories, including MOLGEN–MS/MS for Category 1, MOLGEN 3.5 and 5.0 for C...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2013-05-01
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| Series: | Metabolites |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2218-1989/3/2/440 |