LC–MS-based metabonomics analysis

Lü, Xin; Zhao, Xinjie; Bai, Changmin; Zhao, Chunxia; Guo, Lingling; Xu, Guowang

doi:10.1016/j.jchromb.2007.10.022

Cited by 179 publications

(117 citation statements)

References 97 publications

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“…5 From our literature research the average mass error produced by ToF around 5 ppm but can be better than this. The…”

Section: Introductionmentioning

confidence: 88%

“…Thus LC-MS or GC-MS are more suitable for qualitative and quantitative measurement of individual metabolites [4][5][6] and have been widely used in metabolite profiling studies of human urine for biomarker discovery. [7][8][9][10][11][12] Pasikanti et al 13 reported a method for GC-MS profiling of human urine where 150 putative metabolites were detected and 144 of them were assigned a name by using retention indices and mass spectral matching scores with the NIST library.…”

Section: Introductionmentioning

confidence: 99%

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Evaluation of Coupling Reversed Phase, Aqueous Normal Phase, and Hydrophilic Interaction Liquid Chromatography with Orbitrap Mass Spectrometry for Metabolomic Studies of Human Urine

et al. 2012

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In this study, we assessed three liquid chromatographic platforms: reversed phase (RP), aqueous normal phase (ANP) and hydrophilic interaction (HILIC) for the analysis of polar metabolite standard mixtures and for their coverage of urinary metabolites. The two zwitterionic HILIC columns showed high-quality chromatographic performance for metabolite standards, improved separation for isomers and the greatest coverage of polar metabolites in urine. In contrast, on the reversed phase column most metabolites eluted very rapidly with little or no separation. Using an Exactive Orbitrap mass spectrometer with a HILIC liquid chromatographic platform approximately 800 metabolites with repeatable peak areas (RSD ≤ 25%) could be putatively identified in human urine, by elemental composition assignment within a 3 ppm mass error.The ability of the methodology for the verification of non-molecular ions, which arise from adduct formation, and the possibility of distinguishing isomers could also be demonstrated. Careful examination of the raw data and the use of masses for predicted metabolites produced an extension of the metabolite list for human urine.

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“…5 From our literature research the average mass error produced by ToF around 5 ppm but can be better than this. The…”

Section: Introductionmentioning

confidence: 88%

Section: Introductionmentioning

confidence: 99%

Evaluation of Coupling Reversed Phase, Aqueous Normal Phase, and Hydrophilic Interaction Liquid Chromatography with Orbitrap Mass Spectrometry for Metabolomic Studies of Human Urine

et al. 2012

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“…Liquid chromatography-mass spectrometry (LC-MS)-based metabolite profiling is valuable for analysis of compounds over a wide range of polarity and molecular weight [26]. Beneficial secondary compounds in plants, such as flavonoids, phenolic compounds, and terpenoids have been identified [27,28], and plant bioactivities, including antioxidant activity [29], antimicrobial activity, and tyrosinase inhibition activity [30] have been reported.…”

Section: Introductionmentioning

confidence: 99%

Chemotaxonomic Metabolite Profiling of 62 Indigenous Plant Species and Its Correlation with Bioactivities

Lee

et al. 2015

Molecules

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Chemotaxonomic metabolite profiling of 62 indigenous Korean plant species was performed by ultrahigh performance liquid chromatography (UHPLC)-linear trap quadrupole-ion trap (LTQ-IT) mass spectrometry/mass spectrometry (MS/MS) combined with multivariate statistical analysis. In partial least squares discriminant analysis (PLS-DA), the 62 species clustered depending on their phylogenetic family, in particular, Aceraceae, Betulaceae, and Fagaceae were distinguished from Rosaceae, Fabaceae, and Asteraceae. Quinic acid, gallic acid, quercetin, quercetin derivatives, kaempferol, and kaempferol derivatives were identified as family-specific metabolites, and were found in relatively high concentrations in Aceraceae, Betulaceae, and Fagaceae. Fagaceae and Asteraceae were selected based on results of PLS-DA and bioactivities to determine the correlation between metabolic differences among plant families and bioactivities. Quinic acid, quercetin, kaempferol, quercetin derivatives, and kaempferol derivatives were found in higher concentrations in Fagaceae than in Asteraceae, and were positively correlated with antioxidant and tyrosinase inhibition activities. These results suggest that metabolite profiling was a useful tool for finding the different metabolic states of each plant family and understanding the correlation between metabolites and bioactivities in accordance with plant family.

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“…LC, especially reversed-phase LC, is a classical tool for the separation of metabolites that provides high-performance, high-throughput analysis and repeatable results [21]. However, some hydrophilic metabolites are not well retained by traditional reversed phase liquid chromatography (RPLC).…”

Section: Methodsmentioning

confidence: 99%

Metabolomics for tumor marker discovery and identification based on chromatography–mass spectrometry

Yin

2013

Expert Review of Molecular Diagnostics

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Early detection is the most effective way to improve the clinical outcome of malignancies. Although some tumor markers are now widely used in the clinic, their sensitivity and specificity are still not satisfactory. Thus, there is an urgent requirement for the discovery of new tumor markers. By measuring holistic endogenous metabolites, metabolomics can be used for delineating metabolic networks and discovering metabolic markers. Chromatography-mass spectrometry is the most widely used tool for metabolomics and has shown great potential for biomarker screening. In this review, the authors summarize: recent advances in the protocols and methodologies of chromatography-mass spectrometry-based metabolomics in the discovery of tumor markers; recently identified tumor metabolic markers for primary liver cancer, gynecologic cancer and genitourinary cancer and their applications; and commonly encountered problems in the translational research of metabolic markers.

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LC–MS-based metabonomics analysis

Cited by 179 publications

References 97 publications

Evaluation of Coupling Reversed Phase, Aqueous Normal Phase, and Hydrophilic Interaction Liquid Chromatography with Orbitrap Mass Spectrometry for Metabolomic Studies of Human Urine

Evaluation of Coupling Reversed Phase, Aqueous Normal Phase, and Hydrophilic Interaction Liquid Chromatography with Orbitrap Mass Spectrometry for Metabolomic Studies of Human Urine

Chemotaxonomic Metabolite Profiling of 62 Indigenous Plant Species and Its Correlation with Bioactivities

Metabolomics for tumor marker discovery and identification based on chromatography–mass spectrometry

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