The potential of NO+ and O2+• in switchable reagent ion proton transfer reaction time‐of‐flight mass spectrometry

Hegen, Oliver; Gómez, Jorge Iván Salazar; Schlögl, Robert; Ruland, Holger

doi:10.1002/mas.21770

Cited by 10 publications

(11 citation statements)

References 135 publications

(347 reference statements)

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“…A SRI-ToF mass spectrometer is simply a PTR-ToF-MS instrument operating with any reagent ion other than H 3 O + . The most popular reagent ions used in the field of analytical chemistry are NH 4 + , NO + , and O 2 +• . In this paper, we have used H 3 O + (PTR-mode), and NO + and O 2 +• (SRI-mode).…”

Section: Methodsmentioning

confidence: 99%

“…The most popular reagent ions used in the field of analytical chemistry are NH 4 + , 12 NO + , and O 2 +• . 13 In this paper, we have used H 3 O + (PTR-mode), and NO + and O 2 +• (SRI-mode). The operational procedures of PTR-ToF-MS and its adaptation to SRI operation have been discussed in detail elsewhere.…”

Section: Proton Transfer Reaction-time-of-flight-massmentioning

confidence: 99%

See 1 more Smart Citation

Detecting Hexafluoroisopropanol Using Soft Chemical Ionization Mass Spectrometry and Analytical Applications to Exhaled Breath

Weiss

Chawaguta

Tolpeit

et al. 2023

J. Am. Soc. Mass Spectrom.

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Here we explore the potential use of proton transfer reaction/selective reagent ion-time-of-flight-mass spectrometry (PTR/SRI-ToF-MS) to monitor hexafluoroisopropanol (HFIP) in breath. Investigations of the reagent ions H 3 O + , NO + , and O 2 +• are reported using dry (relative humidity (rH) ≈ 0%) and humid (rH ≈ 100%)) nitrogen gas containing traces of HFIP, i.e., divorced from the complex chemical environment of exhaled breath. HFIP shows no observable reaction with H 3 O + and NO + , but it does react efficiently with O 2 +• via dissociative charge transfer resulting in CHF 2 + , CF 3 + , C 2 HF 2 O + , and C 2 H 2 F 3 O + . A minor competing hydride abstraction channel results in C 3 HF 6 O + + HO 2• and, following an elimination of HF, C 3 F 5 O + . There are two issues associated with the use of the three dominant product ions of HFIP, CHF 2 + , CF 3 + , and C 2 H 2 F 3 O + , to monitor it in breath. One is that CHF 2 + and CF 3 + also result from the reaction of O 2 +• with the more abundant sevoflurane. The second is the facile reaction of these product ions with water, which reduces analytical sensitivity to detect HFIP in humid breath. To overcome the first issue, C 2 H 2 F 3 O + is the ion marker for HFIP. The second issue is surmounted by using a Nafion tube to reduce the breath sample's humidity prior to its introduction into drift tube. The success of this approach is illustrated by comparing the product ion signals either in dry or humid nitrogen gas flows and with or without the use of the Nafion tube, and practically from the analysis of a postoperative exhaled breath sample from a patient volunteer.

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Section: Methodsmentioning

confidence: 99%

Section: Proton Transfer Reaction-time-of-flight-massmentioning

confidence: 99%

Detecting Hexafluoroisopropanol Using Soft Chemical Ionization Mass Spectrometry and Analytical Applications to Exhaled Breath

Weiss

Chawaguta

Tolpeit

et al. 2023

J. Am. Soc. Mass Spectrom.

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“…3 and 4) are based on the ionisation energies of the certain components, which in comparison has to be lower than NO + (9.26 eV) and

O_{2}^{+}

(12.07 eV). Thus, only the combination of the results received using each reagent ion gives a complete picture of all trace components inside the gas, since every reagent ion only covers a certain number of compounds 28.…”

Section: The Laboratorymentioning

confidence: 99%

“…As it is possible that H 2 S strongly adsorbs on the metallic surfaces of the tubing and the instrument, the measurement cycles were selected after the equilibrium was achieved and a stable signal of the substance could be determined. H 2 S can only be detected quantitatively using H 3 O + as reagent ion 28.…”

Section: Synthesis Gas Measurementmentioning

confidence: 99%

Bridging the Analytical Gap Between Gas Treatment and Reactor Plants in Carbon2Chem®

Hegen

Gómez

Grünwald

et al. 2022

Chemie Ingenieur Technik

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The use of purified process gases as feedstock for subsequent processes requires a detailed verification of the gas purity to ensure long lifetimes of applied catalysts. Herein, the analytical infrastructure for the measurements of the cleaned gases is presented. An overview of all sampling points for the off‐ and on‐line analysis is given. The detailed decryption of the composition of the cleaned blast furnace gas, its main components as well as its traces are presented. Thereby, over 99 % of the overall signal strength of this complex gas matrix measured with a proton transfer reaction mass spectrometer with H3O+ as reagent ion could be revealed. Furthermore, by the example of the catalyst poison H2S, the necessity of monitoring continuously the gas matrix for certain compounds was proven.

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“…We demonstrate in this proof of principle study how that can be achieved through the application of comparing Proton Transfer/Selective Reagent Ion-Time of Flight-Mass Spectrometry (PTR/SRI-ToF-MS) measurements to HiKE-IMS results. NO + , O 2 +• and H 3 O + are the most commonly used reagent ions in not only PTR/SRI-ToF-MS investigations but also in other soft chemical ionization mass spectrometric techniques, such as Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) [5]. There are two main advantages in using a commercial PTR/SRI-ToF-MS. First is its high mass resolving power, which currently has reached a mass resolution of >10,000 m/∆m (FWHM) for m/z > 181 [6], which means that isobaric species can be easily separated.…”

Section: Introductionmentioning

confidence: 99%

Revealing the Ion Chemistry Occurring in High Kinetic Energy-Ion Mobility Spectrometry: A Proof of Principle Study

et al. 2023

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Here, we present proof of principle studies to demonstrate how the product ions associated with the ion mobility peaks obtained from a High Kinetic Energy-Ion Mobility Spectrometer (HiKE-IMS) measurement of a volatile can be identified using a Proton Transfer Reaction/Selective Reagent Ion-Time-of-Flight-Mass Spectrometer (PTR/SRI-ToF-MS) when operating both instruments at the same reduced electric field value and similar humidities. This identification of product ions improves our understanding of the ion chemistry occurring in the ion source region of a HiKE-IMS. The combination of the two analytical techniques is needed, because in the HiKE-IMS three reagent ions (NO+, H3O+ and O2+•) are present at the same time in high concentrations in the reaction region of the instrument for reduced electric fields of 100 Td and above. This means that even with a mass spectrometer coupled to the HiKE-IMS, the assignment of the product ions to a given reagent ion to a high level of confidence can be challenging. In this paper, we demonstrate an alternative approach using PTR/SRI-ToF-MS that allows separate investigations of the reactions of the reagent ions NO+, H3O+ and O2+•. In this study, we apply this approach to four nitrile containing organic compounds, namely acetonitrile, 2-furonitrile, benzonitrile and acrylonitrile. Both the HiKE-IMS and the PTR/SRI-ToF-MS instruments were operated at a commonly used reduced electric field strength of 120 Td and with gas flows at the same humidities.

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The potential of NO⁺ and O₂^+• in switchable reagent ion proton transfer reaction time‐of‐flight mass spectrometry

Cited by 10 publications

References 135 publications

Detecting Hexafluoroisopropanol Using Soft Chemical Ionization Mass Spectrometry and Analytical Applications to Exhaled Breath

Detecting Hexafluoroisopropanol Using Soft Chemical Ionization Mass Spectrometry and Analytical Applications to Exhaled Breath

Bridging the Analytical Gap Between Gas Treatment and Reactor Plants in Carbon2Chem®

Revealing the Ion Chemistry Occurring in High Kinetic Energy-Ion Mobility Spectrometry: A Proof of Principle Study

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