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.

Afiliação

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 em En | MEDLINE | ID: mdl-34798444

Assuntos

Elétrons; Software; Algoritmos; Monitoramento Ambiental; Cromatografia Gasosa-Espectrometria de Massas; Humanos

Palavras-chave

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

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Software / Elétrons Tipo de estudo: Diagnostic_studies / Guideline / Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google