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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Brantley, Matthew R. Pettit, Michael E. Harper, Brett Brown, Brooke Solouki, Touradj |
| Description | Country affiliation: United States Author Affiliation: Brantley MR ( Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798, USA.); Pettit ME ( Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798, USA.); Harper B ( Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798, USA.); Brown B ( Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798, USA.); Solouki T ( Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798, USA. Electronic address: Touradj_Solouki@baylor.edu.) |
| Abstract | Peak broadening in ion mobility (IM) is a relatively predictable process and abnormally broad peaks can be indicative of the presence of unresolved species. Here, we introduce a new ion mobility peak fitting (IM_FIT) software package for automated and systematic determination of traveling wave ion mobility (TWIM) unresolved species. To identify IM unresolved species, the IM_FIT software generates a trend line by plotting ions' mobility peak widths as a function of their arrival times. Utilizing user-defined thresholds, IM_FIT allows for automated and rapid detection of ions that deviate from the peak width trend line. To demonstrate the advantages of IM_FIT for automated detection of IM unresolved species, IM-mass spectrometry (IM-MS) data from a sample mixture containing polypropylene glycol and multiple peptides were analyzed. A total of 14 out of the 34 observed singly-charged IM peaks above 5% relative abundance (i.e., signal-to-noise ratios above â¼200) were tagged as potentially co-eluting ions by IM_FIT. Subsequently, the 14 IM peaks tagged as potentially unresolved (presumably, peaks corresponding to co-eluting compounds), were further analyzed by automated IM deconvolution (AIMD), liquid chromatography-IM-MS (LC-IM-MS), and/or ultra-high resolution mass spectrometry. Using the aforementioned techniques, more than 85% of the tagged IM peaks (12 out of 14) were confirmed to contain co-eluting ions. As an additional new finding, IM_FIT facilitated the discovery of an unexpected sequence-scrambled y-type fragment ion. |
| File Format | HTM / HTML |
| ISSN | 00032670 |
| Journal | Analytica Chimica Acta |
| Volume Number | 941 |
| e-ISSN | 18734324 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2016-10-19 |
| Publisher Place | Netherlands |
| Access Restriction | One Nation One Subscription (ONOS) |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Environmental Chemistry Analytical Chemistry Biochemistry |
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