SPECTRAL PROFILE OF DRUGS AND DRUGS OF ABUSE OBTAINED BY DIFFERENT MASS ANALYZERS (FT-ICR AND LTQ): AN APPROACH TO THE ELECTROSPRAY IONIZATION SOURCE

Detalhes bibliográficos
Autor(a) principal: Araujo dos Santos, Nayara
Data de Publicação: 2023
Outros Autores: 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
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.
id IFES-1_b4f86d62705c4652ff1fd424de2ddf95
oai_identifier_str oai::article/2227
network_acronym_str IFES-1
network_name_str Revista Eletrônica Debates em Educação Científica e Tecnológica
repository_id_str
spelling 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