18-Crown-6 spiking in direct infusion ESI–MS analysis of complex mixtures: “One ion per analyte” relationship facilitating ion assignments and eliminating isobaric interferences

Tonin, Angélica Priscila Parussolo; Ribeiro, Matheus Henrique Dal Molin; Silva, Valquíria de Moraes; Oliveira, Celso Maran de; Saragiotto, M.H.; Eberlin, Marcos N.; Meurer, Eduardo C.

doi:10.1016/j.ijms.2016.12.003

Cited by 8 publications

(6 citation statements)

References 26 publications

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“…A very interesting observation comes from the formal charge that the anthocyanidins have and result on the molecular ion M + observation on mass spectra. Usually during electrospray (ESI) experiments, protonated [M + H] + , sodiated [M + Na] + , potassiated [M + K] + , or other adducts are analyzed …”

Section: Resultsmentioning

confidence: 99%

Anthocyanidins structural study using positive electrospray ionization triple quadrupole mass spectrometry and H/D exchange

et al. 2018

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We report herein a detailed structural study by collision‐induced dissociation (CID) of nonglycosylated anthocyanins (anthocyanidins) using electrospray ionization triple quadrupole mass spectrometry (ESI‐QqQ) and isotope labeling experiments to understand the fragmentation process often used in mass spectrometry analysis of this class of compounds. Tandem mass spectrometric product ion spectra for three anthocyanidins (cyanidin, delphynidin, and pelargonin) were evaluated to propose fragmentation mechanisms to this natural colorant class of organic compounds. The proposed rearrangements, retro Diels‐Alder reaction, water loss, CO losses, and stable acylium ion formation, were evaluated based on tandem mass spectrometric experiments of normal and labeled precursor ions together to computational thermochemistry. B3LYP/6‐311 + G** ab initio calculations studies were carried out to obtain energy diagrams to show the viability of the proposed mechanisms. The CO losses fragmentation channels have lower energies when compared with water losses and the other proposed fragmentations. The isotope labeling experiments indicate the H/D exchange of the hydroxyl protons and corroborate the proposed general fragmentation mechanism for anthocyanidins.

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Section: Resultsmentioning

confidence: 99%

Anthocyanidins structural study using positive electrospray ionization triple quadrupole mass spectrometry and H/D exchange

et al. 2018

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“…To determine the TAG profile, a stock solution was prepared by solubilizing 25 μL of calabura oil extract (SH30 and SH60) in 10 mL of MeOH and sonicating for 10 min. Then, this stock solution was diluted using 50 μL of the solution, together with 1950 μL of a carrier solution, which was prepared with 50 mL of MeOH, 0.1% (v/v) trifluoroacetic acid (TFA) and 0.034 mg mL −1 crown ether (18‐crown‐6) 22 …”

Section: Methodsmentioning

confidence: 99%

“…Then, this stock solution was diluted using 50 μL of the solution, together with 1950 μL of a carrier solution, which was prepared with 50 mL of MeOH, 0.1% (v/v) trifluoroacetic acid (TFA) and 0.034 mg mL −1 crown ether (18-crown-6). 22 All samples were prepared in Eppendorf flasks of 2 mL, then homogenized in a tube shaker and injected into the mass spectrometer.…”

Section: Composition Of Extracts Direct Injection In Esi-ms For Analy...mentioning

confidence: 99%

Extraction of bioactive compounds in Muntingia calabura peels and identification using DI‐ESI‐MS

Silva

Aranha

Tonin

et al. 2023

J of Chemical Tech & Biotech

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Background: The purpose of the work reported in this article was to perform the drying of Muntingia calabura peels and to evaluate the performance of supercritical fluid extraction, ultrasound-assisted extraction and solid-liquid extraction. Four types of extracts were analyzed for mean values of antioxidant activity, phenolic compounds and bioactive compounds in positive and negative modes (0.1% MeOH-NH 4 OH) using direct injection in electrospray ionization mass spectrometry. Two of the lipid samples, extracted by fluid supercritical CO 2 , were used for the determination of the profile of triacylglycerols.Results: Regarding the quantification of compounds, in the extracts SH30 and SH60 were found 18 bioactive compounds; and for the extracts obtained using solid-liquid and ultrasound-assisted extraction, 12 compounds were found. The triacylglycerols formed by palmitic, oleic and linoleic acids were found with the highest incidence in the lipid samples.Conclusions: For the quantification of total phenolic compounds and ferric reducing antioxidant power of the four extracts, the results showed a higher retention of the compounds in the samples extracted with supercritical fluid.

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“…A ESI é considerada branda, o que simplifica o espectro de massas de misturas complexas em comparação com técnicas de ionização mais fortes, o que tornou comum o uso desse tipo de ionização em análises diretas de misturas sem separação cromatográfica (TONIN et al, 2017). Uma alternativa para resolver essa dificuldade é sequestrar da solução os principais cátions metálicos.…”

Section: Caracterização De óLeos Vegetaisunclassified

“…Uma alternativa para resolver essa dificuldade é sequestrar da solução os principais cátions metálicos. Éteres coroa podem ser utilizados com esse propósito, uma vez que são conhecidos por serem sequestradores eficientes dos íons Na + e K + (TONIN et al, 2017).…”

Section: Caracterização De óLeos Vegetaisunclassified

Desenvolvimento de métodos de análise de cabelo por MALDI-TOF-MS e MALDI-MSI e avaliação de tratamentos cosméticos

Sartori

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Applying cosmetic products to the hair is a daily routine for millions of people, as it is important for self-esteem, hygiene and personal well-being. The use of vegetable oils in formulations has gained prominence due to the growing interest in natural ingredients. In addition to the oil's components offering important properties for the hair, it can also be used as a vehicle for active ingredients. One of the biggest problems related to hair is androgenetic alopecia, but there are still few product options on the market that treat it efficiently. To understand the use of vegetable oils, both as a cosmetic treatment and in therapies for hair diseases (such as alopecia), it is necessary to check how the oil is incorporated into the hair. Therefore, this study represents a pioneering advance in developing an analysis method using the mass spectrometry imaging technique using matrix-assisted laser desorption ionization (MALDI-MSI) to visualize the incorporation of cosmetics, focusing in argan, avocado and coconut vegetable oils. Initially, the oils were characterized by GC-MS, GC-FID, direct injection into ESI-MS and comparison with MALDI-TOF-MS. The application of the MALDI-TOF-MSI technique made it possible to evaluate the permeation of oils in hair, with a maximum standard deviation of 0.08 Da for 10 repetitions (avocado oil). In samples treated with vegetable oils, we found signs that indicate direct incorporation of components of these oils and changes in the cortex and surface of the hair, proving that the oils are incorporated into the hair during treatment. This reveals the effectiveness of using oils in cosmetic formulations and indicates that there is potential in using these products as vehicles in specific treatments, such as preventing alopecia. With the method developed, it was possible to generate images of the spatial distribution of ions in the hair cortex, confirming the data that indicate changes in the hair cortex after treatments.

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18-Crown-6 spiking in direct infusion ESI–MS analysis of complex mixtures: “One ion per analyte” relationship facilitating ion assignments and eliminating isobaric interferences

Cited by 8 publications

References 26 publications

Anthocyanidins structural study using positive electrospray ionization triple quadrupole mass spectrometry and H/D exchange

Anthocyanidins structural study using positive electrospray ionization triple quadrupole mass spectrometry and H/D exchange

Extraction of bioactive compounds in Muntingia calabura peels and identification using DI‐ESI‐MS

Desenvolvimento de métodos de análise de cabelo por MALDI-TOF-MS e MALDI-MSI e avaliação de tratamentos cosméticos

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