In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples

por Chao, Alex, Al-Ghoul, Hussein, McEachran, Andrew D., Balabin, Ilya, Transue, Tom, Cathey, Tommy, Grossman, Jarod N., Singh, Randolph R., Ulrich, Elin M., Williams, Antony J., Sobus, Jon R.
Publicado 2020

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

por Sobus, Jon R., Wambaugh, John F., Isaacs, Kristin K., Williams, Antony J., McEachran, Andrew D., Richard, Ann M., Grulke, Christopher M., Ulrich, Elin M., Rager, Julia E., Strynar, Mark J., Newton, Seth R.
Publicado 2017