Drift tube ion mobility and four‐dimensional molecular feature extraction enable data‐independent tandem mass spectrometric ‘omics’ analysis without quadrupole selection

Abstract

The established workflow used the 4D MFE algorithm to analyze a complicated 4D dataset and was demonstrated to find more proteins not found by the traditional quadrupole-based MS/MS method in proteomics application. It is thus an important complementary MS/MS mode for 'omics' studies. Copyright © 2016 John Wiley & Sons, Ltd.

Ion mobility mass spectrometry with molecular modelling to reveal bioactive isomer conformations and underlying relationship with isomerization

“…Electrospray ionization (ESI) coupled with ion mobility mass spectrometry (IM‐MS) has been developed into a mature analytical technique nowadays . Briefly, the molecules are ionized and desolvated in the ESI process and separated based on their shapes, sizes and charges in the IM and analyzed by high‐resolution MS methods such as quadrupole‐time‐of‐flight (QTOF) to obtain accurate mass or tandem MS (MS/MS) information . Many variations of IM techniques have been developed.…”

A new retrospective, multi‐evidence veterinary drug screening method using drift tube ion mobility mass spectrometry

“…IM also provides the collision cross section (CCS), which reflects the shape of the ion for structural studies and identification . IM‐MS has shown its great potential and a four‐dimensional (4D, 4D means RT, DT, m/z and intensity) molecular feature extraction (MFE) algorithm has been developed to analyze complicated LC/IM‐Q‐TOF datasets . It would be meaningful to compare the sensitivity of 4D MFE and the widely used high‐resolution MS database searching algorithm based on accurate mass and retention time comparison [find by formula (FbF) function in the employed software].…”

“…In addition, drift tube IM‐Q‐TOF provides a new DIA mode named alternating frame (AF) mode without quadrupole selection . Briefly, every low collision energy frame is followed by one high collision energy frame, and in the high collision energy frame, all the ions separated by drift tube IM are dissociated in the collision cell.…”

“…Briefly, every low collision energy frame is followed by one high collision energy frame, and in the high collision energy frame, all the ions separated by drift tube IM are dissociated in the collision cell. After 4D MFE in the low collision energy frame, the MS/MS spectra of the 4D features are extracted based on the same RT and DT profile in the high collision energy frame . The AF mode keeps the MS/MS data of all the precursors and provides clean MS/MS spectra because of the IM separation.…”

Practical application of in silico fragmentation based residue screening with ion mobility high‐resolution mass spectrometry

“…100 to 1000) can be sampled in mass range widths of 50 up to 200 Dalton. The instrumentation used in this study utilizes a different DIA technique, described recently, where an ultra‐high‐performance liquid chromatograph was coupled to an ion mobility cell, further hyphenated to a time‐of‐flight instrument (UHPLC/IMS‐TOF). To avoid confusion, this technique is referred to as IMS‐DIA.…”