New Excitation and Detection Techniques in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Marshall, Alan G.; Wang, Tao-Chin Lin; Chen, Ling; Ricca, Tom L.

doi:10.1021/bk-1987-0359.ch002

Cited by 26 publications

(6 citation statements)

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“…All ion−molecule reaction mass spectra were subjected to background subtraction. The background spectra were generated by stored waveform inverse Fourier transform ejection of the ion of interest prior to reaction time. Collision-activated dissociation studies on a derivatized analyte were carried out by pulsing argon into the analyzer cell (nominal peak pressure 1 × 10 -6 Torr) in the end of the experiment described above.…”

Section: Methodsmentioning

confidence: 99%

Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Watkins

Wewora

et al. 2005

Anal. Chem.

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A mass spectrometry method is presented for the identification of compounds that contain the primary N-oxide functional group. This method utilizes a gas-phase ion-molecule reaction with dimethyl disulfide that rapidly and selectively derivatizes the protonated primary N-oxide functional group in a mass spectrometer to yield an ionic reaction product (with 31 Da higher mass than that of the protonated molecule) that is diagnostic for the presence of a primary N-oxide functionality. A variety of protonated analytes containing different functional groups were tested in Fourier transform ion-cyclotron resonance and triple quadrupole mass spectrometers to probe the selectivity of the reaction. Only molecules containing the protonated primary N-oxide functional group yielded the diagnostic reaction product; all other protonated molecules gave protonated dimethyl disulfide or no reaction products. The feasibility of this method for compound screening was tested by examining six analytes with the same molecular formula but different atom connectivity. The one analyte that contained the primary N-oxide functional group was readily differentiated from the other analytes.

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Section: Methodsmentioning

confidence: 99%

Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Watkins

Wewora

et al. 2005

Anal. Chem.

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“…Typical ESI conditions were as follows: needle voltage −3 kV; heated capillary current 3 A. Ions were accumulated in a linear octopole ion trap for 1−5 s and then transmitted to a three-section open cylindrical 4-in.-diameter Penning trap (trapping voltage −2V) through a second octopole ion guide. The most abundant monoisotopic [M − H] - ions were isolated by a combination of frequency sweep , and stored-waveform inverse Fourier transform (SWIFT) excitation events. , Upon isolation, parent ions were allowed to react with either D 2 O or D 2 S gas leaked into the vacuum system through a leak valve to achieve a neutral reagent partial pressure of 5 × 10 -8 Torr measured by a Granville Phillips (Boulder, CO) model 274 ion gauge. The temperature of the neutral reagent inside the vacuum chamber was taken to be room temperature.…”

Section: Methodsmentioning

confidence: 99%

Gas-Phase RNA and DNA Ions. 1. H/D Exchange of the [M − H]^- Anions of Nucleoside 5‘-Monophosphates (GMP, dGMP, AMP, dAMP, CMP, dCMP, UMP, dTMP), Ribose 5-Monophosphate, and 2-Deoxyribose 5-Monophosphate with D₂O and D₂S

et al. 1998

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H/D exchange from D 2 O and D 2 S to electrosprayed [M -H]nucleoside 5′-monophosphate anions (GMP, dGMP, AMP, dAMP, CMP, dCMP, UMP, TMP) is examined by Fourier transform ion cyclotron resonance mass spectrometry at 9.4 T, along with sugar phosphate controls (ribose 5-monophosphate (R5P) and 2-deoxyribose 5-monophosphate (dR5P)). The relative exchange rates of the nucleotides with D 2 O were dR5P > dCMP > R5P > CMP > dAMP > UMP > AMP > dTMP . dGMP . GMP, and with D 2 S were CMP > UMP ≈ dTMP > dCMP > dAMP > AMP > R5P > dR5P . dGMP . GMP. All exchange rates increase dramatically on changing from D 2 O to D 2 S, due to the smaller gas-phase acidity difference between exchange reagent and the nucleotide: ∆(∆H acid ) > 60 kcal mol -1 for D 2 O vs ∆(∆H acid ) > 20 kcal mol -1 for D 2 S. Ab initio calculations on model compounds at the MP2/6-31+G*//HF/6-31+G* level yield the following order of calculated acidities for each of the exchangeable hydrogens:The present results provide a quantitative measure of proton exchange rates, in minutes for D 2 S (rather than hours for D 2 O) for gas-phase nucleotide anions, thereby opening up a wide range of extensions to chemically modified nucleotides as well as single-stranded and duplex RNAs and DNAs.

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“…Although most FT‐ICR mass spectrometers use frequency‐swept excitation, an alternative method to generate excitation pulses is the stored waveform inverse Fourier transform (SWIFT) technique . SWIFT has been used for high‐resolution ion isolation as well as for multiplexed MS/MS using Hadamard transformation .…”

Section: Methodsmentioning

confidence: 99%

Two‐dimensional mass spectrometry in a linear ion trap, an in silico model

Agthoven

O’Connor

2017

Rapid Comm Mass Spectrometry

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New Excitation and Detection Techniques in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Cited by 26 publications

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Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Gas-Phase RNA and DNA Ions. 1. H/D Exchange of the [M − H]^- Anions of Nucleoside 5‘-Monophosphates (GMP, dGMP, AMP, dAMP, CMP, dCMP, UMP, dTMP), Ribose 5-Monophosphate, and 2-Deoxyribose 5-Monophosphate with D₂O and D₂S

Two‐dimensional mass spectrometry in a linear ion trap, an in silico model

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New Excitation and Detection Techniques in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Cited by 26 publications

References 0 publications

Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Compound Screening for the Presence of the Primary N-Oxide Functionality via Ion−Molecule Reactions in a Mass Spectrometer

Gas-Phase RNA and DNA Ions. 1. H/D Exchange of the [M − H]- Anions of Nucleoside 5‘-Monophosphates (GMP, dGMP, AMP, dAMP, CMP, dCMP, UMP, dTMP), Ribose 5-Monophosphate, and 2-Deoxyribose 5-Monophosphate with D2O and D2S

Two‐dimensional mass spectrometry in a linear ion trap, an in silico model

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Product

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Gas-Phase RNA and DNA Ions. 1. H/D Exchange of the [M − H]^- Anions of Nucleoside 5‘-Monophosphates (GMP, dGMP, AMP, dAMP, CMP, dCMP, UMP, dTMP), Ribose 5-Monophosphate, and 2-Deoxyribose 5-Monophosphate with D₂O and D₂S