A dereplication strategy for identifying triterpene acid analogues in Poria cocos by comparing predicted and acquired UPLC‐ESI‐QTOF‐MS/MS data

Introduction Triterpene acids from the dried sclerotia of Poria cocos (Schw.) Wolf (poria) were recently found to possess anti‐cancer activities. Identification of more triterpene acid analogues in poria is worthwhile for high throughput screening in anti‐cancer drug discovery. Objective To establis...

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Bibliographic Details
Published in:Phytochemical analysis 2019-05, Vol.30 (3), p.292-310
Main Authors: Zou, Ye‐Ting, Long, Fang, Wu, Cheng‐Ying, Zhou, Jing, Zhang, Wei, Xu, Jin‐Di, Zhang, Ye‐Qing, Li, Song‐Lin
Format: Article
Language:English
Subjects:
Acids
Acids - chemistry
Analogs
antineoplastic activity
antineoplastic agents
bioactive compounds
Cancer
chemical constituents of plants
Chromatography, High Pressure Liquid - methods
Data Mining
fragmentation patterns
Herbal medicine
herbal medicines
High-throughput screening
Ionization
ions
Isomers
Liquid chromatography
Mass spectrometry
Mass spectroscopy
Molecular ions
Poria
Poria cocos
predicted‐analogue database
prediction
Predictions
Quadrupoles
Reference Standards
Sclerotia
Screening
Spectrometry, Mass, Electrospray Ionization - methods
Structure-Activity Relationship
structure–retention relationship
tandem mass spectrometry
Tandem Mass Spectrometry - methods
triterpene acids
Triterpenes - analysis
Triterpenes - chemistry
Triterpenes - standards
ultra-performance liquid chromatography
UPLC‐ESI‐QTOF‐MS/MS
Wolfiporia - chemistry
Wolfiporia cocos
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