Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry
"> Figure 1
<p>Illustration of the sampling method: (<b>a</b>) About 1.3 ± 0.1 mL of aqueous 0.4% <span class="html-italic">w</span>/<span class="html-italic">v</span> malathion solution was sprayed from approximately 30 cm distance from a household spray bottle (foreground) by a single application of the lever onto a concrete wall in the background; (<b>b</b>) After swabbing the surface across the sprayed area using cotton-tipped applicators with their wooden handle glued in scintillation-vial caps (on the <b>left</b>), the swabs were screwed into the vials (on the <b>right</b>) to protect from sample loss and cross-contamination.</p> "> Figure 2
<p>(<b>a</b>) Direct analysis in real time (DART) mass spectrum of a sample collected by swabbing from the field (<a href="#ijms-17-00116-f001" class="html-fig">Figure 1</a>) using FT-ICR with desired <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> set to 100,000 FWHM at <span class="html-italic">m/z</span> 400 (Mass spectrum averaged for the entire acquisition period); actual <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> (FWHM) achieved for (<b>b</b>) the protonated malathion (nominal <span class="html-italic">m/z</span> 331) and (<b>c</b>) DART fragment ion of the compound (nominal <span class="html-italic">m/z</span> 285) at set mass resolution of 100,000 at <span class="html-italic">m/z</span> 400 (The insets show the actual <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> with desired mass resolution set to 500,000 at <span class="html-italic">m/z</span> 400).</p> "> Figure 3
<p>Product ion MS/MS of protonated malathion (<span class="html-italic">m/z</span> 331) from a sample collected by swabbing from the field (<a href="#ijms-17-00116-f001" class="html-fig">Figure 1</a>) followed by DART–MS using a hybrid mass spectrometer with CID in the linear ion trap and fragment ions detected in the FT-ICR (set <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> of 100,000 FWHM at <span class="html-italic">m/z</span> 400). Inset: The fragment ion <span class="html-italic">m/z</span> 285 (set <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> of 500,000 FWHM at <span class="html-italic">m/z</span> 400). The fragmentation leading to the observed ion is indicated by the thick dashed line on the displayed structure of the compound.</p> "> Figure 4
<p>Relative abundances of the measured A+1 and A+2 isotope peaks (bottom trace), as well as isotopic fine structure of the A+2 isotope peak (inset over the bottom trace labeled “Measured”) for the protonated analyte also affords the best match with those predicted for C<sub>10</sub>H<sub>20</sub>O<sub>6</sub>PS<sub>2</sub>. The isotope peak abundances and isotopic fine structures for the indicated elemental compositions listed in <a href="#ijms-17-00116-t001" class="html-table">Table 1</a><b>a</b> (colored traces and insets, respectively) were predicted presuming <span class="html-italic">M</span>/Δ<span class="html-italic">M</span> of 120,000, FWHM.</p> ">
Abstract
:1. Introduction
2. Results
Rank | Formula | MMA (ppm) |
---|---|---|
1 | C10H20O6PS2 | −0.46 |
2 | C20H11O3S | 2.56 |
3 | C22H8N2P | 3.71 |
4 | C12H15O5N2S2 | 4.53 |
5 | C16H11O8 | 5.00 |
Rank | Formula | MMA (ppm) |
---|---|---|
1 | C10H23O6NPS2 | −0.09 |
2 | C20H14O3NS | 2.79 |
3 | C16H14O8N | −4.40 |
Rank | Formula | MMA (ppm) |
---|---|---|
1 | C8H14O5PS2 | 0.113 |
2 | C18H5O2S | 2.63 |
3. Discussion
4. Materials and Methods
Acknowledgments
Author Contributions
Conflicts of Interest
Abbreviations
CID | collision-induced dissociation |
DART | direct analysis in real time |
FT-ICR | Fourier transform ion cyclotron resonance |
FTMS | Fourier transform mass spectrometry |
FWHM | full width at half maximum |
LTQ | linear trapping quadrupole |
M/ΔM | mass resolution |
MMA | mass measurement accuracy |
MS | mass spectrometry |
MS/MS | tandem mass spectrometry |
TOF | time-of-flight |
Appendix
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Prokai, L.; Stevens, S.M. Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry. Int. J. Mol. Sci. 2016, 17, 116. https://doi.org/10.3390/ijms17010116
Prokai L, Stevens SM. Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry. International Journal of Molecular Sciences. 2016; 17(1):116. https://doi.org/10.3390/ijms17010116
Chicago/Turabian StyleProkai, Laszlo, and Stanley M. Stevens. 2016. "Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry" International Journal of Molecular Sciences 17, no. 1: 116. https://doi.org/10.3390/ijms17010116