SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE
Autor(a) principal: | |
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Data de Publicação: | 2023 |
Outros Autores: | , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Revista Eletrônica Debates em Educação Científica e Tecnológica |
Texto Completo: | https://ojs.ifes.edu.br/index.php/ric/article/view/2227 |
Resumo: | Mass spectrometry is a technique that can detect, count, and characterize molecules of different compositions. Among the main components of the spectrometers are the ionization sources and mass analyzers, which have specificities of their respective manufacturers. In this sense, this work sought to analyze the spectral profile, based on analyses of pharmaceuticals for human and veterinary use, and drugs of abuse, using the same type of ionization source; electrospray ionization (ESI), positive ionization mode, coupled with Fourier transform ion cyclotron resonance (FT-ICR) and linear ion trap (LTQ) mass analyzers. Eight standards were analyzed: abamectin (C48H72O14); ceftiofur (C19H17N5O7S3); diclofenac potassium (C14H10Cl2NO2K); ivermectin (C48H74O14); lincomycin (C18H34N2O6S); moxidectin (C37H53NO8); progesterone (C21H30O2); estradiol valerate (C23H32O3); and two drug of abuse samples: cocaine (C17H21NO4) and blotter paper (containing 25I-NBOMe (C18H22INO3) and 25C-NBOMe (C18H22ClNO3)). By the data acquired, in most cases, spectra were observed with signs indicating the formation of adducts, [M + Na]+, [M + K]+, protonated molecules [M + H]+ or even dimmers, [2M+H]+, [2M + Na]+, and [2M + K]+. Thus, although the analysis with the ESI(+)FT-ICR MS equipment presents very high resolution and mass precision, the analysis by the ESI(+)LTQ MS equipment provides a fast and efficient analysis of MS/MS experiments, which contributes to confirming the structure of the detected molecule. |
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SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE PERFIL ESPECTRAL DE FÁRMACOS E DROGAS DE ABUSO OBTIDOS POR DIFERENTES ANALISADORES DE MASSAS (FT-ICR E LTQ): UMA ABORDAGEM DA FONTE DE IONIZAÇÃO ELECTROSPRAYespectrometria de massasESI( )FT-ICR MSLTQ MSMass spectrometry is a technique that can detect, count, and characterize molecules of different compositions. Among the main components of the spectrometers are the ionization sources and mass analyzers, which have specificities of their respective manufacturers. In this sense, this work sought to analyze the spectral profile, based on analyses of pharmaceuticals for human and veterinary use, and drugs of abuse, using the same type of ionization source; electrospray ionization (ESI), positive ionization mode, coupled with Fourier transform ion cyclotron resonance (FT-ICR) and linear ion trap (LTQ) mass analyzers. Eight standards were analyzed: abamectin (C48H72O14); ceftiofur (C19H17N5O7S3); diclofenac potassium (C14H10Cl2NO2K); ivermectin (C48H74O14); lincomycin (C18H34N2O6S); moxidectin (C37H53NO8); progesterone (C21H30O2); estradiol valerate (C23H32O3); and two drug of abuse samples: cocaine (C17H21NO4) and blotter paper (containing 25I-NBOMe (C18H22INO3) and 25C-NBOMe (C18H22ClNO3)). By the data acquired, in most cases, spectra were observed with signs indicating the formation of adducts, [M + Na]+, [M + K]+, protonated molecules [M + H]+ or even dimmers, [2M+H]+, [2M + Na]+, and [2M + K]+. Thus, although the analysis with the ESI(+)FT-ICR MS equipment presents very high resolution and mass precision, the analysis by the ESI(+)LTQ MS equipment provides a fast and efficient analysis of MS/MS experiments, which contributes to confirming the structure of the detected molecule.A espectrometria de massas é uma técnica que tem a capacidade de detectar, contar, caracterizar moléculas de diversas composições. Entre os componentes principais da técnica estão as fontes de ionização e analisadores de massas, que possuem especificidades de seus respectivos fabricantes. Nesse sentido, esse trabalho buscou analisar o perfil espectral, a partir de análises de fármacos de uso humano e veterinário e drogas de abuso, por um mesmo tipo de fonte de ionização; a electrospray ionization (ESI), modo positivo de ionização, acoplada aos analisadores de massas Fourier transform ion cyclotron resonance (FT-ICR) e linear ion trap (LTQ). Foram analisados oito padrões: Abamectina (C48H72O14); Ceftiofur (C19H17N5O7S3); Diclofenaco de potássio (C14H10Cl2NO2K); Ivermectina (C48H74O14); Lincomicina (C18H34N2O6S); Moxidectina (C37H53NO8); Progesterona (C21H30O2); Valerato de estradiol (C23H32O3); e duas amostras de drogas de abuso: cocaína (C17H21NO4) e selo (contendo 25I-NBOMe (C18H22INO3) e 25C-NBOMe (C18H22ClNO3)). A partir dos dados adquiridos, foi observado, na maioria dos casos, espectros com sinais indicativos de formação de adutos, [M + Na]+, [M + K]+, moléculas protonadas [M + H]+, ou até mesmo como dímeros, [2M+H]+, [2M + Na]+, e [2M + K]+. Assim, embora a análise com o equipamento ESI(+)FT-ICR MS apresente altíssima resolução e precisão de massas, as análises pelo equipamento ESI(+)LTQ MS forneceram uma análise rápida e eficiente realização de experimentos de MS/MS, que contribuíram para confirmação da estrutura da molécula detectada.Instituto Federal do Espírito Santo2023-10-28info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://ojs.ifes.edu.br/index.php/ric/article/view/222710.36524/ric.v9i3.2227Revista Ifes Ciência ; v. 9 n. 3 (2023): Edição Especial: Ciências Forenses ; 01-232359-479910.36524/ric.v9i3reponame:Revista Eletrônica Debates em Educação Científica e Tecnológicainstname:Instituto Federal de Educação, Ciência e Tecnologia do Espírito Santo (IFES)instacron:IFESporhttps://ojs.ifes.edu.br/index.php/ric/article/view/2227/1101Copyright (c) 2023 Revista Ifes Ciência https://creativecommons.org/licenses/by-nc-nd/4.0info:eu-repo/semantics/openAccessAraujo dos Santos, NayaraVieira Lyrio, Marcos Valério Mendes, CampiliQueiroz dos Santos, Glaucia Miranda Barcelos, MarcelaCassago Nascimento, Márcia HelenaBatista de Oliveira Filpo, Rita Carolina Roella Garcia , Robson de Lima Silva, William CezarPaula Pinheiro, Marcos AndréRomão, Wanderson2024-03-25T14:39:22Zoai::article/2227Revistahttps://ojs.ifes.edu.br/index.php/indexPUBhttps://ojs.ifes.edu.br/index.php/index/oairevistadect@gmail.com||sidneiquezada@gmail.com2236-21502179-6955opendoar:2024-03-25T14:39:22Revista Eletrônica Debates em Educação Científica e Tecnológica - Instituto Federal de Educação, Ciência e Tecnologia do Espírito Santo (IFES)false |
dc.title.none.fl_str_mv |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE PERFIL ESPECTRAL DE FÁRMACOS E DROGAS DE ABUSO OBTIDOS POR DIFERENTES ANALISADORES DE MASSAS (FT-ICR E LTQ): UMA ABORDAGEM DA FONTE DE IONIZAÇÃO ELECTROSPRAY |
title |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
spellingShingle |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE Araujo dos Santos, Nayara espectrometria de massas ESI( ) FT-ICR MS LTQ MS |
title_short |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
title_full |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
title_fullStr |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
title_full_unstemmed |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
title_sort |
SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE |
author |
Araujo dos Santos, Nayara |
author_facet |
Araujo dos Santos, Nayara Vieira Lyrio, Marcos Valério Mendes, Campili Queiroz dos Santos, Glaucia Miranda Barcelos, Marcela Cassago Nascimento, Márcia Helena Batista de Oliveira Filpo, Rita Carolina Roella Garcia , Robson de Lima Silva, William Cezar Paula Pinheiro, Marcos André Romão, Wanderson |
author_role |
author |
author2 |
Vieira Lyrio, Marcos Valério Mendes, Campili Queiroz dos Santos, Glaucia Miranda Barcelos, Marcela Cassago Nascimento, Márcia Helena Batista de Oliveira Filpo, Rita Carolina Roella Garcia , Robson de Lima Silva, William Cezar Paula Pinheiro, Marcos André Romão, Wanderson |
author2_role |
author author author author author author author author author author |
dc.contributor.author.fl_str_mv |
Araujo dos Santos, Nayara Vieira Lyrio, Marcos Valério Mendes, Campili Queiroz dos Santos, Glaucia Miranda Barcelos, Marcela Cassago Nascimento, Márcia Helena Batista de Oliveira Filpo, Rita Carolina Roella Garcia , Robson de Lima Silva, William Cezar Paula Pinheiro, Marcos André Romão, Wanderson |
dc.subject.por.fl_str_mv |
espectrometria de massas ESI( ) FT-ICR MS LTQ MS |
topic |
espectrometria de massas ESI( ) FT-ICR MS LTQ MS |
description |
Mass spectrometry is a technique that can detect, count, and characterize molecules of different compositions. Among the main components of the spectrometers are the ionization sources and mass analyzers, which have specificities of their respective manufacturers. In this sense, this work sought to analyze the spectral profile, based on analyses of pharmaceuticals for human and veterinary use, and drugs of abuse, using the same type of ionization source; electrospray ionization (ESI), positive ionization mode, coupled with Fourier transform ion cyclotron resonance (FT-ICR) and linear ion trap (LTQ) mass analyzers. Eight standards were analyzed: abamectin (C48H72O14); ceftiofur (C19H17N5O7S3); diclofenac potassium (C14H10Cl2NO2K); ivermectin (C48H74O14); lincomycin (C18H34N2O6S); moxidectin (C37H53NO8); progesterone (C21H30O2); estradiol valerate (C23H32O3); and two drug of abuse samples: cocaine (C17H21NO4) and blotter paper (containing 25I-NBOMe (C18H22INO3) and 25C-NBOMe (C18H22ClNO3)). By the data acquired, in most cases, spectra were observed with signs indicating the formation of adducts, [M + Na]+, [M + K]+, protonated molecules [M + H]+ or even dimmers, [2M+H]+, [2M + Na]+, and [2M + K]+. Thus, although the analysis with the ESI(+)FT-ICR MS equipment presents very high resolution and mass precision, the analysis by the ESI(+)LTQ MS equipment provides a fast and efficient analysis of MS/MS experiments, which contributes to confirming the structure of the detected molecule. |
publishDate |
2023 |
dc.date.none.fl_str_mv |
2023-10-28 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://ojs.ifes.edu.br/index.php/ric/article/view/2227 10.36524/ric.v9i3.2227 |
url |
https://ojs.ifes.edu.br/index.php/ric/article/view/2227 |
identifier_str_mv |
10.36524/ric.v9i3.2227 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
https://ojs.ifes.edu.br/index.php/ric/article/view/2227/1101 |
dc.rights.driver.fl_str_mv |
Copyright (c) 2023 Revista Ifes Ciência https://creativecommons.org/licenses/by-nc-nd/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
Copyright (c) 2023 Revista Ifes Ciência https://creativecommons.org/licenses/by-nc-nd/4.0 |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Instituto Federal do Espírito Santo |
publisher.none.fl_str_mv |
Instituto Federal do Espírito Santo |
dc.source.none.fl_str_mv |
Revista Ifes Ciência ; v. 9 n. 3 (2023): Edição Especial: Ciências Forenses ; 01-23 2359-4799 10.36524/ric.v9i3 reponame:Revista Eletrônica Debates em Educação Científica e Tecnológica instname:Instituto Federal de Educação, Ciência e Tecnologia do Espírito Santo (IFES) instacron:IFES |
instname_str |
Instituto Federal de Educação, Ciência e Tecnologia do Espírito Santo (IFES) |
instacron_str |
IFES |
institution |
IFES |
reponame_str |
Revista Eletrônica Debates em Educação Científica e Tecnológica |
collection |
Revista Eletrônica Debates em Educação Científica e Tecnológica |
repository.name.fl_str_mv |
Revista Eletrônica Debates em Educação Científica e Tecnológica - Instituto Federal de Educação, Ciência e Tecnologia do Espírito Santo (IFES) |
repository.mail.fl_str_mv |
revistadect@gmail.com||sidneiquezada@gmail.com |
_version_ |
1798948024251056128 |