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Computer Tools for Structure Elucidation in Effect-Directed Analysis
UploadAutomated strategies to identify compounds on the basis of GC/EI-MS and calculated properties.
Download from mediatum.ub.tum.deConsensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties.
Download from www.researchgate.netSmall Molecule Identification with MOLGEN and Mass Spectrometry
Download from dx.doi.orgThe Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions
Download from dx.doi.orgSolving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS
Download from www.jstage.jst.go.jpSuspect and nontarget screening approaches to identify organic contaminant records in lake sediments
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