Distinguishing the C₃ vs SH₄ Mass Split by Comprehensive Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry

Abstract

The C3 vs SH4 (0.0034 Da) mass split is considered to be one of the most critical mass splits in petroleomics and is relevant because of the regulatory requirements for sulfur in petroleum fractions. To date, there are two ways to resolve mass splits such as C3 vs SH4: (a) ultrahigh resolution Fourier transform mass spectrometry (FT-MS); (b) high-resolution chromatography such as comprehensive two-dimensional gas chromatography (GC×GC). High-resolution chromatography minimizes the mass spectral resolution required to distinguish these key chemical constituents and provides additional sample characterization via isomer separation. High resolution mass spectrometry enables unambiguous chemical formulas determination and structural elucidation. In this paper, we demonstrate the combination of high resolution GC×GC with high resolution time-of-flight mass spectrometry to distinguish the C3 vs SH4 mass split and other common mass splits in a crude oil sample.

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods

“…Ultrahigh-resolution is critical to distinguish isobaric compounds present in the EOM. The minimum resolving power of 120,000 at 400 m/z is needed to distinguish C 3 versus SH 4 (∆m = 0.0034Da), 13 CH versus N (∆m = 0.008Da), and O versus CH 4 (∆m = 0.036Da) mass splits for EOM analysis (Aczel et al, 1970;Byer et al, 2016;Rodgers et al, 2005). Therefore, it is ideal to have a high resolving power to resolve high m/z ions.…”

Characterization of hafting adhesives using comprehensive two‐dimensional gas chromatography coupled to time‐of‐flight mass spectrometry

“…Despite recent market emergence of GC × GC instruments with high mass accuracy detectors, there exist very few studies that demonstrate the abilities of such commercially available systems. As such, the CM was analyzed as a means of obtaining performance data for the instruments across different molecular weights and compound classes.…”

Analysis of Organic Sulphur Compounds in Coal Tar by Using Comprehensive Two-Dimensional Gas Chromatography-High Resolution Time-of-Flight Mass Spectrometry

“…The main focus of the study was the coupling of flow-modulated GC×GC with HR ToFMS [16]. In a further GC×GC-HR ToFMS study, Byer et al highlighted the MS capability to distinguish between compounds characterised by an elemental composition difference of C3 vs. SH4 in a sample of crude oil [18].…”