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Combining fragment-ion and neutral-loss matching during mass spectral library searching: A new general purpose algorithm applicable to illicit drug identification
A mass spectral library search algorithm that identifies compounds that differ from library compounds by a single ‘inert’ structural component is described. This algorithm, the Hybrid Similarity Search, generates a similarity score based on matching both fragment ions and neutral losses. It employs...
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| Publicado no: | Anal Chem |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5841953/ https://ncbi.nlm.nih.gov/pubmed/29156120 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.7b03320 |
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