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Title: Revisiting Dissolved Organic Matter Analysis Using High-Resolution Trapped Ion Mobility and FT-ICR Mass Spectrometry
The molecular level characterization of complex mixtures remains an analytical challenge. We have shown that the integration of complementary, high resolution, gas-phase separations allow for chemical formula level isomeric content description. In the current work, we revisited the current challenges associated with the analysis of dissolved organic matter using high resolution trapped ion mobility separation (TIMS) and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). In particular, we evaluate the separation capabilities provided by TIMS-MS compared to MS alone, the use of ICR complementary data acquisition (DAQ) systems and transient processing strategies, ICR cell geometries (e.g., Infinity cell vs harmonized cell), magnetic field strengths (7 T vs 9.4 T vs 21 T) for the case of a Harney River DOM sample. Results showed that the external high-performance DAQ enables direct representation of mass spectra in the absorption mode FT (aFT), doubling the MS resolution compared to the default magnitude mode FT (mFT). Changes between half- vs full- apodization results in greater MS signal/noise vs superior MS resolving power (RP); in the case of DOM analysis, a 45% increase in assigned formulas is observed when employing the DAQ half (Kaiser-type) apodization window and aFT when compared to the default instrument mFT. Results showed the advantages of reprocessing 2D-TIMS-FT-ICR MS data with higher RP and magnetic field chemical formulae generated list acquired (e.g., 21 T led to a 24% increase in isomers reported) or the implementation of alternative strategies.  more » « less
Award ID(s):
2304837 2025954
PAR ID:
10542086
Author(s) / Creator(s):
; ; ; ; ; ; ;
Publisher / Repository:
JASMS
Date Published:
Journal Name:
Journal of the American Society for Mass Spectrometry
ISSN:
1044-0305
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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