title: High mass resolution breath analysis using secondary electrospray ionization mass spectrometry assisted by an ion funnel.
abstract: In this study, we used secondary electrospray ionization mass spectrometry assisted by an ion funnel (IF) operating at ambient pressure to find compounds in the mass range of 100-500 m/z in online breath fingerprinting experiments. In low-resolution experiments conducted on an ion trap instrument, we found that pyridine is present in breath of individuals long after drinking coffee. In high-resolution experiments conducted on a Fourier transform ion cyclotron resonance, we found more than 30 compounds in the mass range of 100-500 m/z in analogous online breath experiments. More than a third of these compounds have molecular weights above 200 Daltons and have not been mentioned in previous studies. In low-resolution experiments as well as experiments without the IF, these compounds could not be detected.
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH Zurich, Switzerland.
authors.forename: Lukas
authors.initials: L
authors.lastname: Meier
authors.forename: Christian
authors.initials: C
authors.lastname: Berchtold
authors.forename: Stefan
authors.initials: S
authors.lastname: Schmid
authors.forename: Renato
authors.initials: R
authors.lastname: Zenobi
mesh_terms: D001944:Breath Tests / Q000379:methods*; D003069:Coffee / Q000737:chemistry; D005638:Fruit / Q000737:chemistry; D005740:Gases / Q000737:chemistry; D006801:Humans; D007477:Ions / Q000032:analysis / Q000737:chemistry; D008970:Molecular Weight; D021241:Spectrometry, Mass, Electrospray Ionization / Q000295:instrumentation* / Q000379:methods*
chemical_list: D003069:Coffee; D005740:Gases; D007477:Ions