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Bibliographic Details
Main Authors: Craig, Alexander J, Ganiyu, Mustapha A, Moodie, Lindon W K, Tshepelevitsh, Sofja, Herodes, Koit, Simon, Heike, Dittmar, Thorsten, Hawkes, Jeffrey A
Format: Artículo científico
Language:en
Published: Analytical chemistry 2025
Online Access:https://pubmed.ncbi.nlm.nih.gov/40843622/
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author Craig, Alexander J
Ganiyu, Mustapha A
Moodie, Lindon W K
Tshepelevitsh, Sofja
Herodes, Koit
Simon, Heike
Dittmar, Thorsten
Hawkes, Jeffrey A
author_facet Craig, Alexander J
Ganiyu, Mustapha A
Moodie, Lindon W K
Tshepelevitsh, Sofja
Herodes, Koit
Simon, Heike
Dittmar, Thorsten
Hawkes, Jeffrey A
Craig, Alexander J
Ganiyu, Mustapha A
Moodie, Lindon W K
Tshepelevitsh, Sofja
Herodes, Koit
Simon, Heike
Dittmar, Thorsten
Hawkes, Jeffrey A
collection PubMed - marine biology
contents Improvement of Electrospray Ionization Response Linearity and Quantification in Dissolved Organic Matter Using Synthetic Deuterated Internal Standards. Craig, Alexander J Ganiyu, Mustapha A Moodie, Lindon W K Tshepelevitsh, Sofja Herodes, Koit Simon, Heike Dittmar, Thorsten Hawkes, Jeffrey A Aquatic dissolved organic matter (DOM) is an ultracomplex mixture of compounds covering a wide range of masses and with an unknown extent of isomeric complexity, making its structural elucidation and quantification highly challenging. Electrospray ionization high-resolution mass spectrometry (ESI-HRMS) has advanced DOM analysis, but accurate concentration determination remains limited by the lack of a response factor correction. Here, we address this limitation by introducing novel deuterated compounds as internal standards that mimic DOM structures. Using a -labeled compound free of isobaric interferences in DOM, we assessed ionization suppression in various aquatic sample extracts and improved concentration-based linearity in a coastal DOM reference material. Our results show that deuterated carboxylic acid-rich standards enable "pseudoquantification" by correcting for ionization suppression and instrument drift. Applying this approach, we estimate that DOM consists of 20-30% acids in river, coastal, and deep-ocean reference samples using an Orbitrap system. The same samples were estimated to contain 11-24% acids using 15T FT-ICR-MS, highlighting platform differences. Additionally, we establish a ∼1 ng L feature detection limit for DOM compounds in seawater via a standard LC-MS gradient method. These findings demonstrate that deuterated standards provide a simple, practical way to improve DOM pseudoquantification, enhancing our understanding of its chemical composition in environmental studies.
format Artículo científico
id pubmed_40843622
institution PubMed
language en
publishDate 2025
publisher Analytical chemistry
record_format pubmed
spellingShingle Improvement of Electrospray Ionization Response Linearity and Quantification in Dissolved Organic Matter Using Synthetic Deuterated Internal Standards.
Craig, Alexander J
Ganiyu, Mustapha A
Moodie, Lindon W K
Tshepelevitsh, Sofja
Herodes, Koit
Simon, Heike
Dittmar, Thorsten
Hawkes, Jeffrey A
Improvement of Electrospray Ionization Response Linearity and Quantification in Dissolved Organic Matter Using Synthetic Deuterated Internal Standards. Craig, Alexander J Ganiyu, Mustapha A Moodie, Lindon W K Tshepelevitsh, Sofja Herodes, Koit Simon, Heike Dittmar, Thorsten Hawkes, Jeffrey A Aquatic dissolved organic matter (DOM) is an ultracomplex mixture of compounds covering a wide range of masses and with an unknown extent of isomeric complexity, making its structural elucidation and quantification highly challenging. Electrospray ionization high-resolution mass spectrometry (ESI-HRMS) has advanced DOM analysis, but accurate concentration determination remains limited by the lack of a response factor correction. Here, we address this limitation by introducing novel deuterated compounds as internal standards that mimic DOM structures. Using a -labeled compound free of isobaric interferences in DOM, we assessed ionization suppression in various aquatic sample extracts and improved concentration-based linearity in a coastal DOM reference material. Our results show that deuterated carboxylic acid-rich standards enable "pseudoquantification" by correcting for ionization suppression and instrument drift. Applying this approach, we estimate that DOM consists of 20-30% acids in river, coastal, and deep-ocean reference samples using an Orbitrap system. The same samples were estimated to contain 11-24% acids using 15T FT-ICR-MS, highlighting platform differences. Additionally, we establish a ∼1 ng L feature detection limit for DOM compounds in seawater via a standard LC-MS gradient method. These findings demonstrate that deuterated standards provide a simple, practical way to improve DOM pseudoquantification, enhancing our understanding of its chemical composition in environmental studies.
title Improvement of Electrospray Ionization Response Linearity and Quantification in Dissolved Organic Matter Using Synthetic Deuterated Internal Standards.
url https://pubmed.ncbi.nlm.nih.gov/40843622/