Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion fragmentation/neutral loss acquisition

Li, Hua; Qian, Qing; Shi, Xianzhe; He, Jun; Xu, Guowang

doi:10.1016/j.chroma.2018.11.014

Cited by 41 publications

(38 citation statements)

References 26 publications

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“…30,41 Conjugation with glucuronic acid, referred to as phase II metabolism, increases water solubility of various xenobiotics, drugs and metabolites facilitating their transport within the body and excretion in urine; in our study the second metabolite most important in variable projection was indole-3-acetic-acid-Oglucuronide (VIP 1.86, fold change 3.67 at p 0.047, Table 3 and Figure 2). Using similar LC-MS-based identification strategy as in this work, 3IAA-G was identified in human urine by Li et al 42 In the cited study, increased abundance of 3IAA-G was found in Figure 2. Box and whiskers plots generated via MetaboScape V R for six identified metabolites in MetS patient (gray boxes) and in control group (white boxes).…”

Section: Discussionmentioning

confidence: 65%

“…42 In the cited study, increased abundance of 3IAA-G was found in cancer patients as compared to the control group and this compound was proposed as potential biomarker of breast cancer. 42 In another work, carried out on urines of Italian older adults, 3IAA-G was proposed as a marker of tryptophan metabolism related to nut consumption. 43…”

Section: Discussionmentioning

confidence: 96%

“…cancer patients as compared to the control group and this compound was proposed as potential biomarker of breast cancer. 42 In another work, carried out on urines of Italian older adults, 3IAA-G was proposed as a marker of tryptophan metabolism related to nut consumption. 43 In addition to glucuronidation, sulfation is another conjugation option and it is generally accepted that indoles are converted in liver to 3-indoxyl sulfate, which is considered a cardio-and urine toxin.…”

Section: Discussionmentioning

confidence: 99%

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Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Esperanza

Wróbel

Ojeda

et al. 2020

Eur J Mass Spectrom (Chichester)

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Metabolic syndrome (MetS) is a multifactor condition predisposing for diabetes, cardiovascular diseases and other degenerative disorders. Although several diagnostic criteria have been established, none of them is specific and there is a call for better pathophysiological explanation of MetS and for the discovery of molecular biomarkers. Phenotype characterization at metabolome level might be useful for both purposes. To this end, our aim was to perform comparative untargeted metabolomics of urines from MetS patients and from the control group. The study participants included 52 diagnosticated and 50 healthy individuals from Leon city in central Mexico; 23 anthropometric and clinical parameters were measured and submitted to Principal Component Analysis (PCA). The obtained PCA model allowed us for selection of 11 MetS patients and 13 control subjects, correspondingly representative for each of the two groups (clearly separated in PCA). The first morning urines from these subjects were ambulatory collected and, after methanol extraction and acidification, were submitted to capillary liquid chromatography-high resolution mass spectrometry (LC-HRMS). The obtained data were analyzed on MetaboScape® platform (Bruker Daltonics). Specifically, t-test applied to LC-HRMS data revealed several ions presenting at least 3-fold higher intensities in MetS with respect to the control samples (p < 0.05). Data analysis and complementary experiments yielded the identification of the following metabolites: indole-3-acetic acid, indole-3-acetic acid-O-glucuronide, N-(indol-3-ylacetyl) glutamine, indole-3-carbaldehyde and hydroxyhexanoycarnitine. Additionally, indole-3-carboxylic acid was annotated with 2.13-fold higher abundance in MetS patients. To assess the contribution of individual metabolites in the difference between two groups of subjects, partial least square discriminant analysis was performed for LC-HRMS data and the obtained values of variable importance in projection (VIP), confirmed the association of six above mentioned compounds with MetS. Overall, this study provides direct evidence on the disturbed catabolism of tryptophan in metabolic syndrome.

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Section: Discussionmentioning

confidence: 65%

Section: Discussionmentioning

confidence: 96%

Section: Discussionmentioning

confidence: 99%

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Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Esperanza

Wróbel

Ojeda

et al. 2020

Eur J Mass Spectrom (Chichester)

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“…Furthermore, studies by Thomale et al (18) and Liebich et al (19) found signi cant increases in modi ed nucleosides (including ac4C) in the urine of tumor mice and cancer patients. Besides, increased levels of ac4C in urine were observed in colorectal cancer (20), urogenital cancer (21), ovarian epithelial cancer (22), and breast cancer (23). These ndings suggest that ac4C is a potential biomarker for cancer.…”

Section: Introductionmentioning

confidence: 82%

“…NAT10 was the rst acetylation regulator to be proved to maintain effective translation and stabilize mRNA by forming ac4C on mRNA (17). Although studies of NAT10 have been limited, increased levels of ac4C in urine are known to be correlated with four types of cancer (20)(21)(22)(23). In addition, several studies have shown that overexpression of NAT10 could promote tumor progression in cancers including colorectal cancer, epithelial ovarian cancer, and melanoma (25,26,29).…”

Section: Discussionmentioning

confidence: 99%

Prognostic and Immunological Role of mRNA ac4C Regulator NAT10 in Pan-Cancer: New Territory for Cancer Research?

Yang

Zhang

et al. 2020

Preprint

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BackgroundNAT10 (also known as human N-acetyltransferase-like protein) is a critical gene that regulates N4-acetylcytidine formation in RNA, similar to the multiple regulators of N6-methyladenosine. However, the underlying functions and mechanisms of NAT10 in tumor progression and immunology are unclear.MethodsIn this study, we systematically analyzed the pan-cancer expression and correlations of NAT10, using databases including Oncomine, PrognoScan, GEPIA, and Kaplan-Meier Plotter. The potential correlations of NAT10 with immune infiltration stages and gene marker sets were analyzed using the Tumor Immune Estimation Resource and GEPIA.ResultsCompared with normal tissues, NAT10 showed higher expression in 26 of 27 cancers based on combined data from TCGA and GTEx. In different datasets, high NAT10 expression was significantly correlated with poor prognosis in adrenocortical carcinoma, head and neck squamous cell carcinoma, liver hepatocellular carcinoma, kidney renal papillary cell carcinoma, and pheochromocytoma and paraganglioma. Moreover, there were significant positive correlations between NAT10 expression and immune infiltrates, including B cells, CD8+ T cells, CD4+ T cells, neutrophils, macrophages, dendritic cells, endothelial cells, and fibroblasts in LIHC. NAT10 expression showed strong correlations with diverse immune marker gene sets in LIHC.ConclusionNAT10 expression affects the prognosis of pan-cancer patients and is significantly correlated with tumor immune infiltration. Furthermore, it represents a potential target for cancer therapy.

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Non‐targeted screening of pyranosides in Rhodiola crenulata using an all ion fragmentation‐exact neutral loss strategy combined with liquid chromatography‐quadrupole time‐of‐flight mass spectrometry

Tian

Zhou

et al. 2021

Phytochemical Analysis

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Introduction Pyranosides as one kind of natural glycosides contain a pyran ring linked to an aglycone in the structure. They occur widely in plants and possess diverse biological activities. The discovery of new pyranosides not only contributes to research on natural products but also may promote pharmaceutical development. Objectives A non‐targeted liquid chromatography‐quadrupole time‐of‐flight mass spectrometry method coupled with an all ion fragmentation‐exact neutral loss (AIF‐ENL) strategy was developed for the screening of pyranosides in plants. Methods Pyranosides in various types were collected as a model. The AIF‐ENL strategy comprised three steps: AIF spectrum acquisition and generation, ENL‐based searching and identification, and confirmation of structural type using target second‐stage mass spectrometry (MS/MS). The strategy was systematically evaluated based on the matrix effects, fragmentation stability, scan rate and screening efficiency and finally applied to Rhodiola crenulata (Hook. f. et Thoms) H. Ohba. Results The method was proved to be an efficient tool for the screening of pyranosides. When it was applied to R. crenulata, a total of 24 pyranoside candidates were detected. Among them, six were tentatively identified on the basis of the agreement of their elemental composition with the reported. The other 18 were detected in R. crenulata for the first time. Conclusion The method offers a new platform for discovering pyranosides. In addition, the developed non‐targeted strategy can also be used for other natural products, such as flavonoids and coumarins, as long as there is a common fragmentation behaviour in their MS/MS to generate characteristic neutral losses or fragments.

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Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion fragmentation/neutral loss acquisition

Cited by 41 publications

References 26 publications

Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Prognostic and Immunological Role of mRNA ac4C Regulator NAT10 in Pan-Cancer: New Territory for Cancer Research?

Non‐targeted screening of pyranosides in Rhodiola crenulata using an all ion fragmentation‐exact neutral loss strategy combined with liquid chromatography‐quadrupole time‐of‐flight mass spectrometry

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Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion fragmentation/neutral loss acquisition

Cited by 41 publications

References 26 publications

Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Liquid chromatography-mass spectrometry untargeted metabolomics reveals increased levels of tryptophan indole metabolites in urine of metabolic syndrome patients

Prognostic and Immunological Role of mRNA ac4C Regulator NAT10 in Pan-Cancer: New Territory&nbsp;for Cancer Research?

Non‐targeted screening of pyranosides in Rhodiola crenulata using an all ion fragmentation‐exact neutral loss strategy combined with liquid chromatography‐quadrupole time‐of‐flight mass spectrometry

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Prognostic and Immunological Role of mRNA ac4C Regulator NAT10 in Pan-Cancer: New Territory for Cancer Research?