Direct Fourier transform mass spectral analysis of natural waters with low dissolved organic matter

Characterization of low molecular weight dissolved natural organic matter along the treatment trait of a waterworks using Fourier transform ion cyclotron resonance mass spectrometry

“…Recently, electrospray ionization (ESI) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), has emerged as a very promising technique in the characterization of DOM from different water environments (Stenson et al, 2003;Hertkorn et al, 2008;Kim et al, 2006;Sleighter et al, 2009) as well as the biological and photolytic transformation of DOM (Kim et al, 2006;Kujawinski et al, 2002;Kujawinski et al, 2004;Hertkorn et al, 2007;Gonsior et al, 2009). The ultrahigh resolution and mass accuracy of FT-ICR MS provides molecular masses accurate to within 1 ppm, which often enables the determination of molecular formulas by mass measurement alone (Stenson et al, 2003;Kim et al, 2006).…”

Impact of instrument and experiment parameters on reproducibility of ultrahigh resolution ESI FT-ICR mass spectra of natural organic matter

“…The ultrahigh resolution and mass accuracy of FT-ICR MS provides molecular masses accurate to within 1 ppm, which often enables the determination of elemental formulae from the mass measurement alone (Kim et al, 2006). Numerous investigators have used ESI FT-ICR MS to characterize DOM collected from rainwater (Altieri et al, 2009), atmospheric aerosols (Wozniak et al, 2008), glaciers (Grannas et al, 2006;Bhatia et al, in press), freshwater (Kim et al, 2006;Sleighter et al, 2009), the coastal ocean Kujawinski et al, 2009), the open ocean (Dittmar and Koch, 2006;Koch et al, 2008), sediment porewater (Schmidt et al, 2009), and culture studies (Kujawinski et al, 2004;Rossello-Mora et al, 2008).…”

High-Field FTICR-MS Data Evaluation of Natural Organic Matter: Are CHON5S2 Molecular Class Formulas Assigned to 13C Isotopic m/z and in Reality CHO Components?

“…As shown in the Supporting Information (page S6), all CHO and CHON 5 S 2 components are extracted from the database (using autofilter) into separate spreadsheets. In an additional column, R SAMPLE is the measured 13 C/ 12 C isotope ratio received by the quotient of the intensity of the C c H h O o N 5 S 2 component (assumed 13 C isotope peak, here set as 13 C 1 12 C x−1 H y O z ) and the intensity of the corresponding C c+6 H h−3 O o+4 N 0 S 0 component (here set as 12 C x H y O z ). The value 0.0112372 is the 13 C/ 12 C isotope ratio of the international CaCO 3 standard.…”