Adaptation and operation of a quadrupole/time-of-flight tandem mass spectrometer for high mass ion/ion reaction studies

Bhanot, Jay S.; Fabijanczuk, Kimberly; Abdillahi, Abdirahman M; Chao, Hsi‐Chun; Pizzala, Nicolas J.; Londry, Frank A.; Dziekonski, Eric T.; Hager, James W.; McLuckey, Scott A.

doi:10.1016/j.ijms.2022.116874

Cited by 15 publications

(17 citation statements)

References 79 publications

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“…A Sciex TripleToF 5600 (MDS Sciex, Concord, Ontario, Canada) was used for all experiments. The instrument has been modified to enable, inter alia , the application of DDC across opposing rod sets in Q0 and q2. , Protonated YGGFL was generated using positive mode nanoelectrospray ionization, isolated in the first quadrupole, and then sent to the high-pressure (∼10 mTorr N 2 or Ar) collision cell, q2 (r 0 = 4.17 × 10 –3 m, Ω = 1.8432 MHz = 2.935 × 10 5 radians/s). After accumulation of the isolated [YGGFL+H] + ions in q2, a DDC voltage, V DDC , was applied to a pair of opposing rods (Figure ) for varying amounts of time, t, to obtain a dissociation rate, k diss .…”

Section: Methodsmentioning

confidence: 99%

“…The instrument has been modified to enable, inter alia, the application of DDC across opposing rod sets in Q0 and q2. 42,50 Protonated YGGFL was generated using positive mode nanoelectrospray ionization, isolated in the first quadrupole, and then sent to the high-pressure (∼10 mTorr N 2 or Ar) collision cell, q2 (r 0 = 4.17 + fragment ion (m/z 380). Rate Measurements.…”

Section: ■ Introductionmentioning

confidence: 99%

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Dissociation Kinetics in Quadrupole Ion Traps: Effective Temperatures under Dipolar DC Collisional Activation Conditions

Mehnert

Fischer

McDaniel

et al. 2023

J. Am. Soc. Mass Spectrom.

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Ions stored in an electrodynamic ion trap can be forced from the center of the ion trap to regions of higher radio frequency (RF) electric fields by exposing them to a dipolar DC (DDC) potential applied across opposing electrodes. Such ions absorb power from the trapping RF field, resulting in increased ripple motion at the frequency of the trapping RF. When a bath gas is present, ions undergo energetic collisions that result in “RF-heating” sufficient to induce fragmentation. DDC is therefore a broad-band (i.e., mass-to-charge-independent) means for collisional activation in ion traps with added bath gas. Under appropriate conditions, the internal energy distribution of an ion population undergoing dissociation can be approximated with an effective temperature, Teff. In such cases, it is possible to determine thermal activation parameters, such as Arrhenius activation energies and A-factors, by measuring dissociation kinetics. In this work, the well-studied thermometer ion, protonated leucine enkephalin, was subjected to DDC activation under rapid energy exchange conditions and in two separate bath gases, N2 and Ar, to measure Teff as a function of the ratio of DDC and RF voltages. As a result, an empirically derived calibration was generated to link experimental conditions to Teff. It was also possible to quantitatively evaluate a model described by Tolmachev et al. that can be used to predict Teff. It was found that the model, which was derived under the assumption of an atomic bath gas, accurately predicts Teff when Ar was used as the bath gas but overestimates Teff when N2 was the bath gas. Adjustment of the Tolmachev et al. model for a diatomic gas resulted in an underestimate of Teff. Thus, use of an atomic gas can provide accurate activation parameters, while an empirical correction factor should be used to generate activation parameters using N2.

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Section: Methodsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Dissociation Kinetics in Quadrupole Ion Traps: Effective Temperatures under Dipolar DC Collisional Activation Conditions

Mehnert

Fischer

McDaniel

et al. 2023

J. Am. Soc. Mass Spectrom.

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“…Experiments were performed on a Sciex QTRAP 4000 hybrid triple quadrupole/linear ion trap (Figure S1A) and Sciex TripleTOF 5600 quadrupole time-of-flight mass spectrometers (Figure S1B) (SCIEX, Concord, ON, Canada) that have both been previously modified , for various capabilities, though no hardware modifications were used in this work. Any mass spectrometer with adjacent linear quadrupole ion traps is capable of performing both EMC and ESC scans, provided there is software control over the relevant variables (see below).…”

Section: Methodsmentioning

confidence: 99%

“…■ EXPERIMENTAL SECTION Materials and Sample Preparation. Lipid standards, PE 16:0/18:1 and CL 18:1/18:1/18:1/18:1, and Escherichia coli S1B) (SCIEX, Concord, ON, Canada) that have both been previously modified 22,23 for various capabilities, though no hardware modifications were used in this work. Any mass spectrometer with adjacent linear quadrupole ion traps is capable of performing both EMC and ESC scans, provided there is software control over the relevant variables (see below).…”

Section: ■ Introductionmentioning

confidence: 99%

Separation and Simultaneous Trapping of Multiply Charged and Singly Charged Ions for Mass Spectrometry: Application to Lipid Mixtures

2023

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Conventional electrospray ionization (ESI) of mixtures can give rise to singly and multiply charged analyte species that overlap in mass-to-charge (m/z) ratios, which can complicate the analysis of individual components. The overlap in m/z for ions of different mass and charge is particularly problematic when ions of low relative abundance are of interest. For example, cardiolipins (CLs) are structurally complex phospholipids present in low relative abundance in the lipidome but play crucial roles in mitochondrial metabolism and various regulatory processes. ESI of CLs in negative ion mode shows abundant doubly deprotonated ions and minor singly deprotonated ions. In the ESI of lipid extracts, highly abundant singly charged phospholipids extensively overlap in m/z space with CL dianions of much lesser abundance, thereby complicating the study of the CLs. To address this challenge, we employed a gas-phase approach to separate singly charged ions from a population of ions of mixed charge states while allowing for the storage of one or both of the separated ion populations. Herein, we describe the considerations for applying enhanced singly charged (ESC) and enhanced multiply charged (EMC) scans to perform a gas-phase separation of singly charged lipids from doubly charged lipids in an Escherichia coli extract. This method allows for improved signal-to-noise (S/N) ratio of low abundance ions with minimal overall signal loss, removal of "chemical noise" arising from singly charged ions, and allows for retention of spatially separated ions within a mass spectrometer.

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“…All experiments were performed on a TripleTOF 5600 quadrupole time-of-flight mass spectrometer (SCIEX, Concord, ON, Canada), Schematic S1, † that has been previously modified for ion/ion reactions. 35 Alternately pulsed nano electrospray ionization (nESI) emitters allow for sequential injection of anions and cations. 36 Furthermore, this setup allows for multiple iterations of injection of ions in a single scan such as injection of anions, cations, and then more cations.…”

Section: Mass Spectrometrymentioning

confidence: 99%

Structural elucidation and isomeric differentiation/quantitation of monophosphorylated phosphoinositides using gas-phase ion/ion reactions and dissociation kinetics

Fabijanczuk

Chao

Fischer

et al. 2022

Analyst

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Adaptation and operation of a quadrupole/time-of-flight tandem mass spectrometer for high mass ion/ion reaction studies

Cited by 15 publications

References 79 publications

Dissociation Kinetics in Quadrupole Ion Traps: Effective Temperatures under Dipolar DC Collisional Activation Conditions

Dissociation Kinetics in Quadrupole Ion Traps: Effective Temperatures under Dipolar DC Collisional Activation Conditions

Separation and Simultaneous Trapping of Multiply Charged and Singly Charged Ions for Mass Spectrometry: Application to Lipid Mixtures

Structural elucidation and isomeric differentiation/quantitation of monophosphorylated phosphoinositides using gas-phase ion/ion reactions and dissociation kinetics

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