Isotope Corrected Chiral and Achiral Nontargeted Metabolomics: An Approach for High Accuracy and Precision Metabolomics Based on Derivatization and Its Application to Cerebrospinal Fluid of Patients with Alzheimer’s Disease
Autor: | Hajime Mizuno, Toshimasa Toyo'oka, Takahiro Takayama, Koichi Inoue, Hiroyasu Akatsu, Kenichiro Todoroki |
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Rok vydání: | 2019 |
Předmět: |
Accuracy and precision
Carboxylic Acids 010402 general chemistry Mass spectrometry 01 natural sciences Analytical Chemistry chemistry.chemical_compound Metabolomics Alzheimer Disease Tandem Mass Spectrometry Humans Amines Biomarker discovery Derivatization Cerebrospinal Fluid Carbon Isotopes Chromatography Isotope 010401 analytical chemistry Ms analysis Stereoisomerism 0104 chemical sciences chemistry Isotope Labeling Multivariate Analysis Metabolome Biomarker (medicine) Biomarkers |
Zdroj: | Analytical Chemistry. 91:4396-4404 |
ISSN: | 1520-6882 0003-2700 |
DOI: | 10.1021/acs.analchem.8b04852 |
Popis: | We propose a chiral metabolomics approach based on a data-dependent MS/MS analysis (DDA) using high-resolution quadrupole-time-of-flight mass spectrometry (Q-TOFMS) and 13C-isotope coded derivatization (ICD) reagents, i.e., iDMT-(S)-A and iDMT-(S)-PO. The advantage of the method is the correction of all detected derivatives by parallel derivatization of the isotope-coded and noncoded reagents. The automatic data analysis platform using an MSDIAL and ICD discrimination program, called DINA, was also developed and used for the data analysis process. As a result, a 0.5–2.0% (d-/l-isomer) variation of the isomers was correctly recognized in the automatic data analysis step. Both the semiquantitative comparison and identification efficiency were improved as a result of the high resolution/accuracy of the MS and MS/MS spectra derived from the DDA analysis. This method was used for biomarker discovery in the cerebrospinal fluid (CSF) of patients with Alzheimer’s disease (AD). Twenty-four biomarker candidates wer... |
Databáze: | OpenAIRE |
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