Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry

Analytical techniques with high sensitivity and selectivity are essential to the quantitative analysis of clinical samples. Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is the gold standard in clinical chemistry. However, tandem mass spectrometers come at high capital expen...

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Autores: Bernardo Bermejo, Samuel|||0000-0001-9126-7453, Xue, Jingchuan, Hoang, Linh, Billings, Elizabeth, Webb, Bill, Honders, M. Willy, Venneker, Sanne, Heijs, Bram, Castro Puyana, María|||0000-0003-1412-4103, Marina Alegre, María Luisa|||0000-0002-5583-1624, Van Den Akker, Erik B., Griffioen, Marieke, Siuzdak, Gary, Giera, Martin, Sánchez López, Elena
Tipo de recurso: artículo
Fecha de publicación:2023
País:España
Institución:Universidad de Alcalá (UAH)
Repositorio:e_Buah Biblioteca Digital Universidad de Alcalá
Idioma:inglés
OAI Identifier:oai:ebuah.uah.es:10017/64453
Acceso en línea:http://hdl.handle.net/10017/64453
https://dx.doi.org/10.1038/s41596-023-00803-0
Access Level:acceso abierto
Palabra clave:Liquid chromatography
Mass spectrometry
Química
Chemistry
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spelling Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometryBernardo Bermejo, Samuel|||0000-0001-9126-7453Xue, JingchuanHoang, LinhBillings, ElizabethWebb, BillHonders, M. WillyVenneker, SanneHeijs, BramCastro Puyana, María|||0000-0003-1412-4103Marina Alegre, María Luisa|||0000-0002-5583-1624Van Den Akker, Erik B.Griffioen, MariekeSiuzdak, GaryGiera, MartinSánchez López, ElenaLiquid chromatographyMass spectrometryQuímicaChemistryAnalytical techniques with high sensitivity and selectivity are essential to the quantitative analysis of clinical samples. Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is the gold standard in clinical chemistry. However, tandem mass spectrometers come at high capital expenditure and maintenance costs. We recently showed that it is possible to generate very similar results using a much simpler single MS detector by performing enhanced in-source fragmentation/annotation (EISA) combined with correlated ion monitoring. Here we provide a step-by-step protocol for optimizing the analytical conditions for EISA, so anyone properly trained in LC-MS can follow and apply this technique for any given analyte. We exemplify the approach by using 2-hydroxyglutarate (2-HG) which is a clinically relevant metabolite whose D-enantiomer is considered an ?oncometabolite?, characteristic to cancers associated with mutated isocitrate dehydrogenases 1 or 2 (IDH1/2). We include procedures for determining quantitative robustness, and show results of these relating to the analysis of DL-2-HG in cells, as well as in serum samples from acute myeloid leukemia patients that contain the IDH1/2 mutation. This EISA-MS protocol is a broadly applicable and low-cost approach for the quantification of small molecules that has been developed to work well for both single quadrupole and time-of-flight mass analyzers.Agencia Estatal de InvestigaciónSpringer Nature20232023-04-01journal articlehttp://purl.org/coar/resource_type/c_6501NAhttp://purl.org/coar/version/c_be7fb7dd8ff6fe43info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10017/64453https://dx.doi.org/10.1038/s41596-023-00803-0reponame:e_Buah Biblioteca Digital Universidad de Alcaláinstname:Universidad de Alcalá (UAH)InglésengAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-104913GB-I00 ESTRATEGIAS QUIRALES Y METABOLOMICAS NO DIRIGIDAS INNOVADORAS BASADAS EN TECNICAS MICRO-SEPARATIVASopen accesshttp://purl.org/coar/access_right/c_abf2Attribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:ebuah.uah.es:10017/644532026-06-18T11:13:07Z
dc.title.none.fl_str_mv Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
title Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
spellingShingle Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
Bernardo Bermejo, Samuel|||0000-0001-9126-7453
Liquid chromatography
Mass spectrometry
Química
Chemistry
title_short Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
title_full Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
title_fullStr Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
title_full_unstemmed Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
title_sort Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry
dc.creator.none.fl_str_mv Bernardo Bermejo, Samuel|||0000-0001-9126-7453
Xue, Jingchuan
Hoang, Linh
Billings, Elizabeth
Webb, Bill
Honders, M. Willy
Venneker, Sanne
Heijs, Bram
Castro Puyana, María|||0000-0003-1412-4103
Marina Alegre, María Luisa|||0000-0002-5583-1624
Van Den Akker, Erik B.
Griffioen, Marieke
Siuzdak, Gary
Giera, Martin
Sánchez López, Elena
author Bernardo Bermejo, Samuel|||0000-0001-9126-7453
author_facet Bernardo Bermejo, Samuel|||0000-0001-9126-7453
Xue, Jingchuan
Hoang, Linh
Billings, Elizabeth
Webb, Bill
Honders, M. Willy
Venneker, Sanne
Heijs, Bram
Castro Puyana, María|||0000-0003-1412-4103
Marina Alegre, María Luisa|||0000-0002-5583-1624
Van Den Akker, Erik B.
Griffioen, Marieke
Siuzdak, Gary
Giera, Martin
Sánchez López, Elena
author_role author
author2 Xue, Jingchuan
Hoang, Linh
Billings, Elizabeth
Webb, Bill
Honders, M. Willy
Venneker, Sanne
Heijs, Bram
Castro Puyana, María|||0000-0003-1412-4103
Marina Alegre, María Luisa|||0000-0002-5583-1624
Van Den Akker, Erik B.
Griffioen, Marieke
Siuzdak, Gary
Giera, Martin
Sánchez López, Elena
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Liquid chromatography
Mass spectrometry
Química
Chemistry
topic Liquid chromatography
Mass spectrometry
Química
Chemistry
description Analytical techniques with high sensitivity and selectivity are essential to the quantitative analysis of clinical samples. Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is the gold standard in clinical chemistry. However, tandem mass spectrometers come at high capital expenditure and maintenance costs. We recently showed that it is possible to generate very similar results using a much simpler single MS detector by performing enhanced in-source fragmentation/annotation (EISA) combined with correlated ion monitoring. Here we provide a step-by-step protocol for optimizing the analytical conditions for EISA, so anyone properly trained in LC-MS can follow and apply this technique for any given analyte. We exemplify the approach by using 2-hydroxyglutarate (2-HG) which is a clinically relevant metabolite whose D-enantiomer is considered an ?oncometabolite?, characteristic to cancers associated with mutated isocitrate dehydrogenases 1 or 2 (IDH1/2). We include procedures for determining quantitative robustness, and show results of these relating to the analysis of DL-2-HG in cells, as well as in serum samples from acute myeloid leukemia patients that contain the IDH1/2 mutation. This EISA-MS protocol is a broadly applicable and low-cost approach for the quantification of small molecules that has been developed to work well for both single quadrupole and time-of-flight mass analyzers.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-04-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
NA
http://purl.org/coar/version/c_be7fb7dd8ff6fe43
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10017/64453
https://dx.doi.org/10.1038/s41596-023-00803-0
url http://hdl.handle.net/10017/64453
https://dx.doi.org/10.1038/s41596-023-00803-0
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2019-104913GB-I00 ESTRATEGIAS QUIRALES Y METABOLOMICAS NO DIRIGIDAS INNOVADORAS BASADAS EN TECNICAS MICRO-SEPARATIVAS
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivatives 4.0 International
http://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 Springer Nature
publisher.none.fl_str_mv Springer Nature
dc.source.none.fl_str_mv reponame:e_Buah Biblioteca Digital Universidad de Alcalá
instname:Universidad de Alcalá (UAH)
instname_str Universidad de Alcalá (UAH)
reponame_str e_Buah Biblioteca Digital Universidad de Alcalá
collection e_Buah Biblioteca Digital Universidad de Alcalá
repository.name.fl_str_mv
repository.mail.fl_str_mv
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