Simultaneous and Sequential MS/MS Scan Combinations and Permutations in a Linear Quadrupole Ion Trap

Abstract

Methods of performing precursor ion scans as well as neutral loss scans in a single linear quadrupole ion trap have recently been described. In this paper we report methodology for performing permutations of MS/MS scan modes, that is, ordered combinations of precursor, product, and neutral loss scans following a single ion injection event. Only particular permutations are allowed; the sequences demonstrated here are (1) multiple precursor ion scans, (2) precursor ion scans followed by a single neutral loss scan, (3) precursor ion scans followed by product ion scans, and (4) segmented neutral loss scans. (5) The common product ion scan can be performed earlier in these sequences, under certain conditions. Simultaneous scans can also be performed. These include multiple precursor ion scans, precursor ion scans with an accompanying neutral loss scan, and multiple neutral loss scans. We argue that the new capability to perform complex simultaneous and sequential MS operations on single ion populations represents a significant step in increasing the selectivity of mass spectrometry.

Exploring the chemical profile of designer drugs by ESI(+) and PSI(+) mass spectrometry—An approach on the fragmentation mechanisms and chemometric analysis

“…The fragmentation process for ions at m/z 180.1020 (MDA) and 194.1177 (MDMA), Figure 3A,B, are similar due to the loss of the nitrogen moiety, NH 3 and NH 2 CH 3 , respectively, which can be attributed to the remote rearrangement of 1,3‐hydrogen shift followed by the cleavage of C–N bond releasing mass losses of 17 Da for MDA and 31 Da for MDMA that explain the representative signal at m/z 163.0755 for both structures 52,53 …”

“…194.1177 (MDMA), Figure 3A,B, are similar due to the loss of the nitrogen moiety, NH 3 and NH 2 CH 3 , respectively, which can be attributed to the remote rearrangement of 1,3-hydrogen shift followed by the cleavage of C-N bond releasing mass losses of 17 Da for MDA and 31 Da for MDMA that explain the representative signal at m/z 163.0755 for both structures. 52,53 The production of fragments from ethylone signal, m/z 222.1127, 21 Figure 4A, 189.0786. 21,54 Similarly to ethylone, Figure 4A ated by the nitrogen moiety to release benzene followed by the elimination of ammonia to produce the fragment at m/z 165.0468.…”

Mass spectrometry-based shotgun lipidomics – a critical review from the technical point of view

“…Recently, Synder et al developed a single analyzer neutral loss scan and parent ion scan in a linear quadrupole ion trap that extends the application of IT technology to another dimension in the MS analysis. However, whether if the technology can be extended to the FT based HRMS (e.g., Orbitrap) and to lipidomic analysis remains to be seen [87,101].…”

Novel Ion Trap Scan Modes to Develop Criteria for On-Site Detection of Sulfonamide Antibiotics

“…It should be noted that combinations of one-dimensional MS/MS scans are also useful, as demonstrated previously. 21 Logical operations can be performed by combining scans, in particular, the AND/OR operation can be performed by simultaneously performing two scans. 22 These simultaneous scans can be tailored for certain analytes, and in this study, we show how the combinations of scans, specifically (i) two precursor scans and (ii) a precursor and a neutral loss scan can be tailored to prioritize quantitative precision or detection limits, respectively.…”