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      Hemostatic chemical constituents from natural medicine Toddalia asiatica root bark by LC-ESI Q-TOF MS E


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          Toddalia asiatica root bark as an effective hemostatic natural medicine or Chinese materia medica was applied in China for long history, its complex drug action mechanisms and unclear substance basis have been constraining the development of this drug.


          An intelligentized strategy by LC-ESI Q-TOF MS E was presented in this study for rapid identification of hemostatic chemical constituents from this natural medicine. Chromatographic separation was performed on a C18 column (150 mm × 2.1 mm, 1.8 μm), the MS E data in both negative and positive ion modes were acquired to record the high-accuracy MS and MS/MS data of all precursor ions. To reduce the false positive identifications, structural confirmation was conducted by comparison with the isolated reference standards (t R and MS, MS/MS data) or matching with natural product databases. Bioassay-guided fractionation of the extract of T. asiatica root bark was also carried out.


          As a consequence, 31 natural compounds in T. asiatica root bark got putatively characterized. There were four main coumarins, isopimpinellin (Cp.23), pimpinellin (Cp.24), coumurrayin (Cp.30) and phellopterin (Cp.34) isolated and identified from T. asiatica root bark. The present study provided candidate strategy that helps to effectively identify the primary natural compounds of TCM or other complex natural medicines, and then promote development and application of natural medicines and their medicinal resources.

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          UPLC/MS(E); a new approach for generating molecular fragment information for biomarker structure elucidation.

          A new approach to obtain fragmentation information in liquid chromatography/mass spectrometry (LC/MS) studies of small molecules in complex mixtures is presented using simultaneous acquisition of exact mass at high and low collision energy, MS(E). LC/MS-TOF and LC/MS/MS-TOF are powerful tools for the analysis of complex mixtures, especially those for biological fluids allowing the elucidation of elemental composition and fragmentation information. In this example the composition of rat urine was studied using this new approach, allowing the structures of several endogenous components to be confirmed in one analytical run by the simultaneous acquisition of exact mass precursor and fragment ion data. The spectral data obtained using this new approach are comparable to those obtained by conventional LC/MS/MS as exemplified by the identification of endogenous metabolites present in rat urine. Copyright (c) 2006 John Wiley & Sons, Ltd.
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            UPLC-UV-MS(E) analysis for quantification and identification of major carotenoid and chlorophyll species in algae.

            A fast method for quantification and identification of carotenoid and chlorophyll species utilizing liquid chromatography coupled with UV detection and mass spectrometry has been demonstrated and validated for the analysis of algae samples. This method allows quantification of targeted pigments and identification of unexpected compounds, providing isomers separation, UV detection, accurate mass measurements, and study of fragment ions for structural elucidation in a single run. This is possible using parallel alternating low- and high-energy collision spectral acquisition modes, which provide accurate mass full scan chromatograms and accurate mass high-energy chromatograms. Here, it is shown how this approach can be used to confirm carotenoid and chlorophyll species by identification of key diagnostic fragmentations during high-energy mode. The developed method was successfully applied for the analysis of Dunaliella salina samples during defined red LED lighting growth conditions, identifying 37 pigments including 19 carotenoid species and 18 chlorophyll species, and providing quantification of 7 targeted compounds. Limit of detections for targeted pigments ranged from 0.01 ng/mL for lutein to 0.24 ng/mL for chlorophyll a. Inter-run precision ranged for of 3 to 24 (RSD%) while inter-run inaccuracy ranged from -17 to 11.
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              UHPLC-MS for the analytical characterization of traditional Chinese medicines


                Author and article information

                +86 0851-88416166 , drwzhou@126.com
                +86 0 13308500332 , tlei1974@hotmail.com
                Chem Cent J
                Chem Cent J
                Chemistry Central Journal
                Springer International Publishing (Cham )
                15 June 2017
                15 June 2017
                : 11
                : 55
                [1 ]ISNI 0000 0000 9330 9891, GRID grid.413458.f, School of Basic Medical Sciences, School of Pharmacy, , Guizhou Medical University, ; Guiyang, 550025 China
                [2 ]Department of Resources Development, Shanghai Standard Biotech Co., Ltd., Shanghai, 201203 China
                © The Author(s) 2017

                Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License ( http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver ( http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

                : 14 March 2017
                : 5 June 2017
                Funded by: National Natural Science Foundation of China
                Award ID: 81360681
                Award Recipient :
                Short Report
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                © The Author(s) 2017

                q-tof,mse,toddalia asiatica root bark,qualitative analysis,chemical database
                q-tof, mse, toddalia asiatica root bark, qualitative analysis, chemical database


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