Automated high confidence compound identification of electron ionization mass spectra for nontargeted analysis.

Bendik, Joseph; Kalia, Richa; Sukumaran, Jeet; Richardot, William H; Hoh, Eunha; Kelley, Scott T

Bendik, Joseph; Kalia, Richa; Sukumaran, Jeet; Richardot, William H; Hoh, Eunha; Kelley, Scott T.

Afiliación

Bendik J; Department of Biology, San Diego State University, San Diego, CA, USA.
Kalia R; Department of Biology, San Diego State University, San Diego, CA, USA.
Sukumaran J; Department of Biology, San Diego State University, 5500 Campanile Drive, San Diego, CA 92104, USA.
Richardot WH; San Diego State University Research Foundation, San Diego, CA, USA; School of Public Health, San Diego State University, San Diego, CA, USA.
Hoh E; School of Public Health, San Diego State University, San Diego, CA, USA.
Kelley ST; Department of Biology, San Diego State University, San Diego, CA, USA; Department of Biology, San Diego State University, 5500 Campanile Drive, San Diego, CA 92104, USA. Electronic address: skelley@sdsu.edu.

J Chromatogr A ; 1660: 462656, 2021 Dec 20.

Article en En | MEDLINE | ID: mdl-34798444

Asunto(s)

Electrones; Programas Informáticos; Algoritmos; Monitoreo del Ambiente; Cromatografía de Gases y Espectrometría de Masas; Humanos

Palabras clave

ChromaTOF; Machine learning; Mass spectral comparison; Nontargeted analysis; PyAutoGUI; Suspect screening

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Contexto en salud: 2_ODS3 Problema de salud: 2_quimicos_contaminacion Asunto principal: Programas Informáticos / Electrones Tipo de estudio: Diagnostic_studies / Guideline / Prognostic_studies Límite: Humans Idioma: En Revista: J Chromatogr A Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos

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