Isomer and conformer selective atmospheric pressure chemical ionisation of dimethyl phthalate

Michalczuk, Bartosz; Moravský, Ladislav; Papp, P.; Mach, Pavel; Sabo, Martin; Matejčík, Štefan

doi:10.1039/c9cp02069a

Cited by 9 publications

(11 citation statements)

References 31 publications

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“…The H + · (H 2 O) 3 , 4 ions were dominant; therefore, we will concentrate in the present study on the processes associated with these RIs. In APCI we can consider the following reactions between RIs and the molecules M 15

H^{+} \cdot {({normalH}_{2} O)}_{n} + normalM \to {[M + H]}^{+} + {({normalH}_{2} O)}_{n}

\to {[M + H]}^{+} \cdot {({normalH}_{2} O)}_{m} + {({normalH}_{2} O)}_{n - m}

The proton transfer reactions Equation are very fast if the proton affinity of the molecule M (PA(M)) exceeds the proton bond energy in the reactant ion (PBE(RI)).…”

Section: Resultsmentioning

confidence: 99%

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Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Moravský

Michalczuk

Borkhari

et al. 2021

Rapid Comm Mass Spectrometry

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Rationale Phthalates are widely used in consumer products in the chemical industries. Due to their abundance in the milieu, their potentially harmful effect on the environment, human and animal health there is a need for sensitive and fast methods for their detection. Methods Positive polarity Corona Discharge Atmospheric Pressure Chemical Ionization (CD‐APCI) in the air was applied for ionization of phthalates. The ionization method for the phthalates was studied by atmospheric pressure Ion Mobility Spectrometry (IMS) and hybrid IMS/orthogonal acceleration Time‐of‐Flight Mass spectrometry (IMS‐oaTOF‐MS). Results CD‐APCI IMS and MS spectra of selected phthalates (dimethyl phthalate, diethyl phthalate, diethyl isophthalate, diethyl terephthalate, dipropyl phthalate, diisopropyl phthalate, dibutyl phthalate, diisobutyl phthalate, and dibutyl terephthalate) were recorded. In the case of the ortho‐ and “iso”‐isomers exclusively the protonated molecular ions [M + H]+ were detected. In the case of the para‐ and meta‐isomers and regioisomers, APCI resulted in the appearance of hydrated protonated molecular ions [M + H]+·(H2O)0,1,2. The ion mobilities, collision cross‐sections of these ions in air, as well as the limits of detection (LODs) for the phthalate vapors, were determined. In the case of isomeric phthalates, we have demonstrated the potential of the IMS technique for their separation. Conclusions The results show that CD‐APCI in combination with IMS and IMS‐oaTOF‐MS is a suitable method for the fast and sensitive detection of phthalates with the potential to separate some isomers.

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H^{+} \cdot {({normalH}_{2} O)}_{n} + normalM \to {[M + H]}^{+} + {({normalH}_{2} O)}_{n}

\to {[M + H]}^{+} \cdot {({normalH}_{2} O)}_{m} + {({normalH}_{2} O)}_{n - m}

The proton transfer reactions Equation are very fast if the proton affinity of the molecule M (PA(M)) exceeds the proton bond energy in the reactant ion (PBE(RI)).…”

Section: Resultsmentioning

confidence: 99%

“…Recently, Michalczuk et al 15 presented a study of dimethyl phthalate isomers (dimethyl phthalate – DMP, dimethyl isophthalate – DMIP, and dimethyl terephthalate – DMTP) using atmospheric pressure chemical ionization (APCI) IMS. In this work, two different ionization mechanisms were identified.…”

Section: Introductionmentioning

confidence: 99%

Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Moravský

Michalczuk

Borkhari

et al. 2021

Rapid Comm Mass Spectrometry

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“…It was operated at 370 K and at sub atmospheric pressure (700 mbar). The samples were ionised by Atmospheric Pressure Chemical Ionisation, using Corona Discharge (CD) in needle to plane geometry as a source of the reactant ions (mainly H + (H2O)3,4 35 ). The needle electrode was manufactured from tungsten wire with diameter of 75 µm, the distance from the plane stainless steel electrode was 5 mm.…”

Section: Methodsmentioning

confidence: 99%

“…We have used dried ambient air prepared by MaSa Tech company air generator as a drift gas in IMS. The air generator includes the moisture traps (Agilent Technologies) and with final water concentration of about 20 ppm 35 . The gas flow through the drift tube was 500 mL .…”

Section: Gases and Chemicalsmentioning

confidence: 99%

Atmospheric Pressure Chemical Ionisation study of selected Volatile Organic Compounds (VOCs) by Ion Mobility Spectrometry coupled with orthogonal acceleration Time Of Flight Mass Spectrometry

Michalczuk

Moravský

Hrdá

et al. 2020

International Journal of Mass Spectrometry

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In this work we present an Atmospheric Pressure Chemical Ionisation (APCI) study of several organic solvents (methanol, ethanol, propan-2-ol, acetone, ethyl acetate, diethylamine) using the Ion Mobility Spectrometry (IMS) combined with the orthogonal acceleration Time Of Flight Mass Spectrometry (IMS-oaTOF MS). The ions were formed in interactions of the Reactant Ions (RI -H + .(H2O)3,4) with the studied volatile organic compounds (VOC's). The ions were analysed by IMS and in by IMS-oaTOF to assign ions according to their m/z to the ion mobility peaks. IMS spectra of methanol, ethanol, propan-2-ol and diethylamine exhibited only one peak (reduced ion mobilities of 2.19, 2.07, 1.98, 2.06 cm 2 .s -1 .V -1 respectively) whereas acetone and ethyl acetate were characterised by two peaks (2.15, 1.85 and 1.94, 1.53 cm 2 .s -1 .V -1 respectively). The IMS-oaTOF spectrometry assigned IMS peaks of VOC's to M . H + (H2O)n . n=0,1, 2 or M2 . H + ions, where M represent the solvent molecule.

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“…For example, a large number of bioactive ingredients can be used in bioenergy. Dimethyl phthalate, Mesitylene are flammable liquids and may be used as biofuels [17][18][19]. Hexanedioic acid, bis (2-ethylhexyl) esterare used as cold-resistant plasticizers for various resins, especially for polyvinyl chloride and vinyl chloride copolymers.…”

Section: Comparison Of Volatile Components In Two Extractsmentioning

confidence: 99%

Bioenergy and bioactive components in leaves of Toona sinensis

2020

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Toona sinensis is an important tree for urban greening construction. Toona sinensis sprouts are widely used because of their high medicinal and edible value. However, the functions and effective components of mature Toona sinensis leaves have not been fully exploited and utilized. In order to explore the value of Toona sinensis leaves in bioactive and bioenergy utilization, Toona sinensis leaves were extracted with benzene and ethanol, and then the components in extracts were analyzed by FT-IR and GC-MS. The results showed that benzene and ethanol extracts from Toona sinensis leaves mainly contained phenols, hydrocarbons, esters, alcohols, acids and other bioactive components. These bioactive components can be used in the fields of bioenergy, biomedicine, chemical row materials, food additives and spices. Among them, the content of bioactive components from benzene extract was higher than that from ethanol extract. These findings indicate that Toona sinensis leaves contain a large number of bioactive components which can be used in bioenergy and other fields, and have broad prospects for development.

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Isomer and conformer selective atmospheric pressure chemical ionisation of dimethyl phthalate

Abstract: The ionization mechanism of Atmospheric Pressure Chemical Ionization (APCI) for dimethyl phthalate isomers using an Ion Mobility Spectrometry (IMS) experiment combined with Density Functional Theory (DFT) calculations.

Cited by 9 publications

References 31 publications

Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Atmospheric Pressure Chemical Ionisation study of selected Volatile Organic Compounds (VOCs) by Ion Mobility Spectrometry coupled with orthogonal acceleration Time Of Flight Mass Spectrometry

Bioenergy and bioactive components in leaves of Toona sinensis

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