Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics
Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) based lipidomics has become the most versatile analytical tool to discover and detect lipids using a non-targeted approach. A way to improve the ionization performance of specific lipid classes in electrospray sources is to modify the...
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| Format: | Article |
| Language: | English |
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Elsevier
2021-11-01
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| Series: | Journal of Chromatography Open |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772391721000189 |
| _version_ | 1818362743752753152 |
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| author | Carolina Gonzalez-Riano Ana Gradillas Coral Barbas |
| author_facet | Carolina Gonzalez-Riano Ana Gradillas Coral Barbas |
| author_sort | Carolina Gonzalez-Riano |
| collection | DOAJ |
| description | Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) based lipidomics has become the most versatile analytical tool to discover and detect lipids using a non-targeted approach. A way to improve the ionization performance of specific lipid classes in electrospray sources is to modify their electrostatic interactions with both mobile and stationary phases. So far, studies on mobile phases additives, in particular ammonium fluoride, have focused on increasing ionization efficiency and reproducibility of the conditions. However, little attention has been paid to the different rules that apply in adducts formation: type of adducts, their relative intensities, and how this affects the annotation/identification process. In this study, we evaluated the performance of ammonium fluoride as an additive salt in a non-targeted MS-based lipidomic study under both the positive and negative electrospray ionization modes. The new molecular ion adducts observed can lead to wrong identifications if they are not known or considered, while the disappearance of other adducts such as those with sodium can change the traditional identification rules. |
| first_indexed | 2024-12-13T21:37:26Z |
| format | Article |
| id | doaj.art-565b007f7d4a4c1182360c5a1c65e030 |
| institution | Directory Open Access Journal |
| issn | 2772-3917 |
| language | English |
| last_indexed | 2024-12-13T21:37:26Z |
| publishDate | 2021-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Chromatography Open |
| spelling | doaj.art-565b007f7d4a4c1182360c5a1c65e0302022-12-21T23:30:39ZengElsevierJournal of Chromatography Open2772-39172021-11-011100018Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomicsCarolina Gonzalez-Riano0Ana Gradillas1Coral Barbas2Centre for Metabolomics and Bioanalysis (CEMBIO), Department of Chemistry and Biochemistry, Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte, Madrid. SpainCentre for Metabolomics and Bioanalysis (CEMBIO), Department of Chemistry and Biochemistry, Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte, Madrid. SpainCorresponding author.; Centre for Metabolomics and Bioanalysis (CEMBIO), Department of Chemistry and Biochemistry, Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte, Madrid. SpainLiquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) based lipidomics has become the most versatile analytical tool to discover and detect lipids using a non-targeted approach. A way to improve the ionization performance of specific lipid classes in electrospray sources is to modify their electrostatic interactions with both mobile and stationary phases. So far, studies on mobile phases additives, in particular ammonium fluoride, have focused on increasing ionization efficiency and reproducibility of the conditions. However, little attention has been paid to the different rules that apply in adducts formation: type of adducts, their relative intensities, and how this affects the annotation/identification process. In this study, we evaluated the performance of ammonium fluoride as an additive salt in a non-targeted MS-based lipidomic study under both the positive and negative electrospray ionization modes. The new molecular ion adducts observed can lead to wrong identifications if they are not known or considered, while the disappearance of other adducts such as those with sodium can change the traditional identification rules.http://www.sciencedirect.com/science/article/pii/S2772391721000189AdductsAmmonium fluorideAnnotationLipidomicsAcetamidine adductsElectrospray ionization |
| spellingShingle | Carolina Gonzalez-Riano Ana Gradillas Coral Barbas Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics Journal of Chromatography Open Adducts Ammonium fluoride Annotation Lipidomics Acetamidine adducts Electrospray ionization |
| title | Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics |
| title_full | Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics |
| title_fullStr | Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics |
| title_full_unstemmed | Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics |
| title_short | Exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography-high resolution mass spectrometry based lipidomics |
| title_sort | exploiting the formation of adducts in mobile phases with ammonium fluoride for the enhancement of annotation in liquid chromatography high resolution mass spectrometry based lipidomics |
| topic | Adducts Ammonium fluoride Annotation Lipidomics Acetamidine adducts Electrospray ionization |
| url | http://www.sciencedirect.com/science/article/pii/S2772391721000189 |
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