Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography−mass spectrometry

Mass-Spectrometry-Based Identification of Synthetic Drug Isomers Using Infrared Ion Spectroscopy

(2020) Ruben F. Kranenburg et al.   ANALYTICAL CHEMISTRY

Rapid identification and isolation of neuraminidase inhibitors from mockstrawberry (Duchesnea indica Andr.) based on ligand fishing combined with HR-ESI-Q-TOF-MS

(2020) Sifan Luo et al.   Acta Pharmaceutica Sinica B

Analysis on herbal medicines utilized for treatment of COVID-19

(2020) Lu Luo et al.   Acta Pharmaceutica Sinica B

Integration of multicomponent characterization, untargeted metabolomics and mass spectrometry imaging to unveil the holistic chemical transformations and key markers associated with wine steaming of Ligustri Lucidi Fructus

(2020) Mengrong Li et al.   JOURNAL OF CHROMATOGRAPHY A

An integrated data filtering and identification strategy for rapid profiling of chemical constituents, with Arnebiae Radix as an example

(2020) Junjie Feng et al.   JOURNAL OF CHROMATOGRAPHY A

Identifying potential anti-COVID-19 pharmacological components of traditional Chinese medicine Lianhuaqingwen capsule based on human exposure and ACE2 biochromatography screening

(2020) Xiaofei Chen et al.   Acta Pharmaceutica Sinica B

Data-Independent Acquisition for the Quantification and Identification of Metabolites in Plasma

(2020) Tom van der Laan et al.   Metabolites

A comprehensive quality evaluation of Fuzi and its processed product through integration of UPLC-QTOF/MS combined MS/MS-based mass spectral molecular networking with multivariate statistical analysis and HPLC-MS/MS

(2020) Huibo Lei et al.   JOURNAL OF ETHNOPHARMACOLOGY

Integrating Molecular Networking and 1H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi

(2019) Xue-Mei Hou et al.   JOURNAL OF ORGANIC CHEMISTRY

Application of multiple chemical and biological approaches for quality assessment of Carthamus tinctorius L. (safflower) by determining both the primary and secondary metabolites

(2019) Lu Jia-Xi et al.   PHYTOMEDICINE

Application of metabolomics and molecular networking in investigating the chemical profile and antitrypanosomal activity of British bluebells (Hyacinthoides non-scripta)

(2019) Dotsha J. Raheem et al.   Scientific Reports

Molecular Networking-Based Analysis of Cytotoxic Saponins from Sea Cucumber Holothuria atra

(2019) Laura Grauso et al.   Marine Drugs

Characterization of the multiple chemical components of Glechomae Herba using ultra high performance liquid chromatography coupled to quadrupole-time-of-flight tandem mass spectrometry with diagnostic ion filtering strategy

(2019) Junmao Li et al.   JOURNAL OF SEPARATION SCIENCE

Precursor ion scan enhanced rapid identification of the chemical constituents of Danhong injection by liquid chromatography–tandem mass spectrometry: An integrated strategy

(2019) Chang Li et al.   JOURNAL OF CHROMATOGRAPHY A

A strategy for identification and structural characterization of oplopane- and bisabolane-type sesquiterpenoids from Tussilago farfara L. by multiple scan modes of mass spectrometry

(2019) Kwangho Song et al.   JOURNAL OF CHROMATOGRAPHY A

Comprehensive chemical profiling of Yindan Xinnaotong soft capsule and its neuroprotective activity evaluation in vitro

(2019) Han-Qing Pang et al.   JOURNAL OF CHROMATOGRAPHY A

A four‐step filtering strategy based on ultra‐high‐performance liquid chromatography coupled to quadrupole‐time‐of‐flight tandem mass spectrometry for comprehensive profiling the major chemical constituents of Akebiae Fructus

(2019) Baolian Ma et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Rapid quantitation and identification of the chemical constituents in Danhong Injection by liquid chromatography coupled with orbitrap mass spectrometry

(2019) Lu-lu Xu et al.   JOURNAL OF CHROMATOGRAPHY A

A high-efficiency strategy integrating offline two-dimensional separation and data post-processing with dereplication: Characterization of bufadienolides in Venenum Bufonis as a case study

(2019) Wenlong Wei et al.   JOURNAL OF CHROMATOGRAPHY A

Rapid screening and characterization of triterpene saponins in Acanthopanax senticosus leaves via untargeted MSAll and SWATH techniques on a quadrupole time of flight mass spectrometry

(2019) Yong-Gang Xia et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

A classification of liquid chromatography mass spectrometry techniques for evaluation of chemical composition and quality control of traditional medicines

(2019) Andrey Stavrianidi   JOURNAL OF CHROMATOGRAPHY A

A Novel Method for Identification and Quantification of Sulfated Flavonoids in Plants by Neutral Loss Scan Mass Spectrometry

(2019) Niklas Kleinenkuhnen et al.   Frontiers in Plant Science

In-depth profiling, characterization, and comparison of the ginsenosides among three different parts (the root, stem leaf, and flower bud) of Panax quinquefolius L. by ultra-high performance liquid chromatography/quadrupole-Orbitrap mass spectrometry

(2019) Hongda Wang et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Retention Time and Optimal Collision Energy Advance Structural Annotation Relied on LC–MS/MS: An Application in Metabolite Identification of an Antidementia Agent Namely Echinacoside

(2019) Qingqing Song et al.   ANALYTICAL CHEMISTRY

Profiling and isomer recognition of phenylethanoid glycosides from Magnolia officinalis based on diagnostic/holistic fragment ions analysis coupled with chemometrics

(2019) Zhenzhen Xue et al.   JOURNAL OF CHROMATOGRAPHY A

An integrated approach for global profiling of multi-type constituents: Comprehensive chemical characterization of Lonicerae Japonicae Flos as a case study

(2019) Huiqin Pan et al.   JOURNAL OF CHROMATOGRAPHY A

Application of two‐dimensional liquid chromatography in the separation of traditional Chinese medicine

(2019) Weijia Zhou et al.   JOURNAL OF SEPARATION SCIENCE

Infrared ion spectroscopy: New opportunities for small-molecule identification in mass spectrometry - A tutorial perspective

(2019) Jonathan Martens et al.   ANALYTICA CHIMICA ACTA

A novel neutral loss/product ion scan-incorporated integral approach for the untargeted characterization and comparison of the carboxyl-free ginsenosides from Panax ginseng, Panax quinquefolius, and Panax notoginseng

(2019) Wen-zhi Yang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

A targeted strategy for analyzing untargeted mass spectral data to identify lanostane–type triterpene acids in Poria cocos by integrating a scientific information system and liquid chromatography–tandem mass spectrometry combined with ion mobility spectrometry

(2018) Gui–Fang Feng et al.   ANALYTICA CHIMICA ACTA

A Survey of Orbitrap All Ion Fragmentation Analysis Assessed by an R MetaboList Package to Study Small-Molecule Metabolites

(2018) Enrique Sentandreu et al.   CHROMATOGRAPHIA

A strategy to improve the identification reliability of the chemical constituents by high-resolution mass spectrometry-based isomer structure prediction combined with a quantitative structure retention relationship analysis: Phthalide compounds in Chuanxiong as a test case

(2018) Qingqing Zhang et al.   JOURNAL OF CHROMATOGRAPHY A

Integrated strategy for identifying minor components in complex samples combining mass defect, diagnostic ions and neutral loss information based on ultra-performance liquid chromatography-high resolution mass spectrometry platform: Folium Artemisiae Argyi as a case study

(2018) Dabing Ren et al.   JOURNAL OF CHROMATOGRAPHY A

An enhanced strategy integrating offline two-dimensional separation and step-wise precursor ion list-based raster-mass defect filter: Characterization of indole alkaloids in five botanical origins of Uncariae Ramulus Cum Unicis as an exemplary application

(2018) Huiqin Pan et al.   JOURNAL OF CHROMATOGRAPHY A

Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax notoginseng as a case study

(2018) Chang-liang Yao et al.   JOURNAL OF CHROMATOGRAPHY A

Systematic profiling and comparison of the lipidomes from Panax ginseng , P. quinquefolius , and P. notoginseng by ultrahigh performance supercritical fluid chromatography/high-resolution mass spectrometry and ion mobility-derived collision cross section measurement

(2018) Xiaojian Shi et al.   JOURNAL OF CHROMATOGRAPHY A

Acetylcholinesterase-inhibitory activity of Iranian plants: Combined HPLC/bioassay-guided fractionation, molecular networking and docking strategies for the dereplication of active compounds

(2018) Mahdi Abbas-Mohammadi et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Recent advances on HPLC/MS in medicinal plant analysis—An update covering 2011–2016

(2018) Markus Ganzera et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching

(2018) Yao Shen et al.   JOURNAL OF SEPARATION SCIENCE

Rapid characterization of chlorogenic acids in Duhaldea nervosa based on ultra-high-performance liquid chromatography-linear trap quadropole-Orbitrap-mass spectrometry and mass spectral trees similarity filter technique

(2018) Lianghong Liu et al.   JOURNAL OF SEPARATION SCIENCE

Targeted profiling and relative quantification of benzoyl diterpene alkaloids in Aconitum roots by using LC-MS/MS with precursor ion scan

(2018) Wen Gao et al.   JOURNAL OF SEPARATION SCIENCE

Integration of Biochemometrics and Molecular Networking to Identify Antimicrobials in Angelica keiskei

(2018) Lindsay Caesar et al.   PLANTA MEDICA

A comparison of three liquid chromatography (LC) retention time prediction models

(2018) Andrew D. McEachran et al.   TALANTA

Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines

(2018) F. Olivon et al.   Organic Chemistry Frontiers

The Tripod for Bacterial Natural Product Discovery: Genome Mining, Silent Pathway Induction, and Mass Spectrometry-Based Molecular Networking

(2018) Daniela B. B. Trivella et al.   mSystems

Direct screening of malonylginsenosides from nine Ginseng extracts by an untargeted profiling strategy incorporating in-source collision-induced dissociation, mass tag, and neutral loss scan on a hybrid linear ion-trap/Orbitrap mass spectrometer coupled to ultra-high performance liquid chromatography

(2018) Xiaojian Shi et al.   JOURNAL OF CHROMATOGRAPHY A

Molecular networking prospection and characterization of terpenoids and C15-acetogenins in Brazilian seaweed extracts

(2018) Ana Cláudia Philippus et al.   RSC Advances

Development of a sensitive untargeted liquid chromatography-high resolution mass spectrometry screening devoted to hair analysis through a shared MS2 spectra database: A step toward early detection of new psychoactive substances

(2018) Nicolas Fabresse et al.   Drug Testing and Analysis

Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-Orbitrap mass spectrometry

(2018) Ling-ling Fu et al.   JOURNAL OF CHROMATOGRAPHY A

A multidimensional analytical approach based on time-decoupled online comprehensive two-dimensional liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry for the analysis of ginsenosides from white and red ginsengs

(2018) Hong Zhang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

MS/MS-Based Molecular Networking Approach for the Detection of Aplysiatoxin-Related Compounds in Environmental Marine Cyanobacteria

(2018) Chi Ding et al.   Marine Drugs

Discovery and characterisation of lycorine‐type alkaloids in Lycoris spp. (Amaryllidaceae) using UHPLC‐QTOS‐MS

(2018) Aiqian Li et al.   PHYTOCHEMICAL ANALYSIS

MS/MS similarity networking accelerated target profiling of triterpene saponins in Eleutherococcus senticosus leaves

(2017) Yue-Wei Ge et al.   FOOD CHEMISTRY

Chemicalome and metabolome profiling of polymethoxylated flavonoids in Citri Reticulatae Pericarpium based on an integrated strategy combining background subtraction and modified mass defect filter in a Microsoft Excel Platform

(2017) Su-Ling Zeng et al.   JOURNAL OF CHROMATOGRAPHY A

Mass defect filtering-oriented classification and precursor ions list-triggered high-resolution mass spectrometry analysis for the discovery of indole alkaloids from Uncaria sinensis

(2017) Huiqin Pan et al.   JOURNAL OF CHROMATOGRAPHY A

An enhanced targeted identification strategy for the selective identification of flavonoid O -glycosides from Carthamus tinctorius by integrating offline two-dimensional liquid chromatography/linear ion-trap-Orbitrap mass spectrometry, high-resolution diagnostic product ions/neutral loss filtering and liquid chromatography-solid phase extraction-nuclear magnetic resonance

(2017) Chang-liang Yao et al.   JOURNAL OF CHROMATOGRAPHY A

The strategy for establishment of the multiple reaction monitoring based characteristic chemical profile of triterpenes in Alismatis rhizoma using two combined tandem mass spectrometers

(2017) Sen Li et al.   JOURNAL OF CHROMATOGRAPHY A

A multiple-dimension liquid chromatography coupled with mass spectrometry data strategy for the rapid discovery and identification of unknown compounds from a Chinese herbal formula (Er-xian decoction)

(2017) Caihong Wang et al.   JOURNAL OF CHROMATOGRAPHY A

UPLC-QTOF-MSE -based diagnostic product ion filtering to unveil unstable C6 -C2 glucoside conjugates in Forsythia suspensa

(2017) Yong-Gang Xia et al.   JOURNAL OF MASS SPECTROMETRY

Comprehensive identification and structural characterization of target components from Gelsemium elegans by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry based on accurate mass databases combined with MS/M

(2017) Yan-Chun Liu et al.   JOURNAL OF MASS SPECTROMETRY

Structural characterization and discrimination of the Paris polyphylla var. yunnanensis and Paris vietnamensis based on metabolite profiling analysis

(2017) Li-ping Kang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

An integrated strategy for establishment of curcuminoid profile in turmeric using two LC–MS/MS platforms

(2017) Shuna Jin et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Adduct ion-targeted qualitative and quantitative analysis of polyoxypregnanes by ultra-high pressure liquid chromatography coupled with triple quadrupole mass spectrometry

(2017) Xu Wu et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Lipid profiling of complex biological mixtures by liquid chromatography/mass spectrometry using a novel scanning quadrupole data-independent acquisition strategy

(2017) Lee A. Gethings et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Practical application of in silico fragmentation based residue screening with ion mobility high-resolution mass spectrometry

(2017) Anton Kaufmann et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Development of data-independent acquisition workflows for metabolomic analysis on a quadrupole-orbitrap platform

(2017) Juntuo Zhou et al.   TALANTA

Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy

(2017) Robert A. Quinn et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Diagnostic filtering to screen polycyclic polyprenylated acylphloroglucinols from Garcinia oblongifolia by ultrahigh performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry

(2016) Hong Zhang et al.   ANALYTICA CHIMICA ACTA

Kernel-Based, Partial Least Squares Quantitative Structure-Retention Relationship Model for UPLC Retention Time Prediction: A Useful Tool for Metabolite Identification

(2016) Federico Falchi et al.   ANALYTICAL CHEMISTRY

Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication

(2016) Pierre-Marie Allard et al.   ANALYTICAL CHEMISTRY

PlantMAT: A Metabolomics Tool for Predicting the Specialized Metabolic Potential of a System and for Large-Scale Metabolite Identifications

(2016) Feng Qiu et al.   ANALYTICAL CHEMISTRY

Global metabolite profiling and diagnostic ion filtering strategy by LC–QTOF MS for rapid identification of raw and processed pieces of Rheum palmatum L.

(2016) Ying Liu et al.   FOOD CHEMISTRY

A targeted strategy to analyze untargeted mass spectral data: Rapid chemical profiling of Scutellaria baicalensis using ultra-high performance liquid chromatography coupled with hybrid quadrupole orbitrap mass spectrometry and key ion filtering

(2016) Xue Qiao et al.   JOURNAL OF CHROMATOGRAPHY A

An integrated strategy to quantitatively differentiate chemome between Cistanche deserticola and C. tubulosa using high performance liquid chromatography–hybrid triple quadrupole-linear ion trap mass spectrometry

(2016) Yuelin Song et al.   JOURNAL OF CHROMATOGRAPHY A

Nontargeted metabolomic analysis and “commercial-homophyletic” comparison-induced biomarkers verification for the systematic chemical differentiation of five different parts of Panax ginseng

(2016) Shi Qiu et al.   JOURNAL OF CHROMATOGRAPHY A

Identification of chemical ingredients of peanut stems and leaves extracts using UPLC-QTOF-MS coupled with novel informatics UNIFI platform

(2016) Lei Deng et al.   JOURNAL OF MASS SPECTROMETRY

Prioritizing Natural Product Diversity in a Collection of 146 Bacterial Strains Based on Growth and Extraction Protocols

(2016) Max Crüsemann et al.   JOURNAL OF NATURAL PRODUCTS

Recent development in liquid chromatography stationary phases for separation of Traditional Chinese Medicine components

(2016) Hongli Jin et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Rapid characterization of Ziziphi Spinosae Semen by UPLC/Qtof MS with novel informatics platform and its application in evaluation of two seeds from Ziziphus species

(2016) Feng-xiang Zhang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Current LC–MS methods and procedures applied to the identification of new steroid metabolites

(2016) Josep Marcos et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

A Strategy Combining Higher Energy C-Trap Dissociation with Neutral Loss- and Product Ion-Based MSn Acquisition for Global Profiling and Structure Annotation of Fatty Acids Conjugates

(2016) Qi-rui Bi et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Identification of Oxygenated Fatty Acid as a Side Chain of Lipo-Alkaloids in Aconitum carmichaelii by UHPLC-Q-TOF-MS and a Database

(2016) Ying Liang et al.   MOLECULES

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

Infrared ion spectroscopy in a modified quadrupole ion trap mass spectrometer at the FELIX free electron laser laboratory

(2016) Jonathan Martens et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

A strategy for comprehensive identification of sequential constituents using ultra-high-performance liquid chromatography coupled with linear ion trap–Orbitrap mass spectrometer, application study on chlorogenic acids in Flos Lonicerae Japonicae

(2016) Jia-yu Zhang et al.   TALANTA

An Integrated Strategy for Global Qualitative and Quantitative Profiling of Traditional Chinese Medicine Formulas: Baoyuan Decoction as a Case

(2016) Xiaoli Ma et al.   Scientific Reports

A green protocol for efficient discovery of novel natural compounds: Characterization of new ginsenosides from the stems and leaves of Panax ginseng as a case study

(2015) Shi Qiu et al.   ANALYTICA CHIMICA ACTA

A strategy for fast screening and identification of sulfur derivatives in medicinal Pueraria species based on the fine isotopic pattern filtering method using ultra-high-resolution mass spectrometry

(2015) Min Yang et al.   ANALYTICA CHIMICA ACTA

An integrated strategy for the systematic characterization and discovery of new indole alkaloids from Uncaria rhynchophylla by UHPLC/DAD/LTQ-Orbitrap-MS

(2015) Huiqin Pan et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Global Profiling and Novel Structure Discovery Using Multiple Neutral Loss/Precursor Ion Scanning Combined with Substructure Recognition and Statistical Analysis (MNPSS): Characterization of Terpene-Conjugated Curcuminoids in Curcuma longa as a Case Study

(2015) Xue Qiao et al.   ANALYTICAL CHEMISTRY

FlavonQ: An Automated Data Processing Tool for Profiling Flavone and Flavonol Glycosides with Ultra-High-Performance Liquid Chromatography–Diode Array Detection–High Resolution Accurate Mass–Mass Spectrometry

(2015) Mengliang Zhang et al.   ANALYTICAL CHEMISTRY

Precursor ion scan driven fast untargeted screening and semi-determination of caffeoylquinic acid derivatives in Cynara scolymus L.

(2015) Qing Shen et al.   FOOD CHEMISTRY

Mass spectral similarity for untargeted metabolomics data analysis of complex mixtures

(2015) Neha Garg et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Systematic identification of shikonins and shikonofurans in medicinal Zicao species using ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry combined with a data mining strategy

(2015) Mei Liao et al.   JOURNAL OF CHROMATOGRAPHY A

Artificial neural network modelling of pharmaceutical residue retention times in wastewater extracts using gradient liquid chromatography-high resolution mass spectrometry data

(2015) Kelly Munro et al.   JOURNAL OF CHROMATOGRAPHY A

Homolog-focused profiling of ginsenosides based on the integration of step-wise formate anion-to-deprotonated ion transition screening and scheduled multiple reaction monitoring

(2015) Yuelin Song et al.   JOURNAL OF CHROMATOGRAPHY A

Large-scale qualitative and quantitative characterization of components in Shenfu injection by integrating hydrophilic interaction chromatography, reversed phase liquid chromatography, and tandem mass spectrometry

(2015) Yuelin Song et al.   JOURNAL OF CHROMATOGRAPHY A

Chiral differentiation of the noscapine and hydrastine stereoisomers by electrospray ionization tandem mass spectrometry

(2015) Tibor Nagy et al.   JOURNAL OF MASS SPECTROMETRY

An integrated high resolution mass spectrometric data acquisition method for rapid screening of saponins in Panax notoginseng (Sanqi)

(2015) Chang-Jiang-Sheng Lai et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Integrated evaluation of malonyl ginsenosides, amino acids and polysaccharides in fresh and processed ginseng

(2015) Jin-Yi Wan et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Identification of the chemical constituents of Chinese medicine Yi-Xin-Shu capsule by molecular feature orientated precursor ion selection and tandem mass spectrometry structure elucidation

(2015) Hong-ping Wang et al.   JOURNAL OF SEPARATION SCIENCE

Systematic screening and characterization of glycosides in tobacco leaves by liquid chromatography with atmospheric pressure chemical ionization tandem mass spectrometry using neutral loss scan and product ion scan

(2015) Li Ding et al.   JOURNAL OF SEPARATION SCIENCE

Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates

(2015) Min Yang et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

A novel four-step approach for systematic identification of naphthoquinones inJuglans cathayensisdode using various scan functions of liquid chromatography-tandem mass spectrometry along with data mining strategies

(2015) Yuan Gan et al.   PHYTOCHEMICAL ANALYSIS

Critical evaluation of a simple retention time predictor based on LogKow as a complementary tool in the identification of emerging contaminants in water

(2015) Richard Bade et al.   TALANTA

LTQ-Orbitrap-based strategy for traditional Chinese medicine targeted class discovery, identification and herbomics research: a case study on phenylethanoid glycosides in three different species of Herba Cistanches

(2015) Jiayu Zhang et al.   RSC Advances

Potential of hyphenated ultra-high performance liquid chromatography-scheduled multiple reaction monitoring algorithm for large-scale quantitative analysis of traditional Chinese medicines

(2015) Qingqing Song et al.   RSC Advances

Triterpenoid saponins profiling by adducts-targeted neutral loss triggered enhanced resolution and product ion scanning using triple quadrupole linear ion trap mass spectrometry

(2014) Zhixiang Yan et al.   ANALYTICA CHIMICA ACTA

Nontargeted Modification-Specific Metabolomics Study Based on Liquid Chromatography–High-Resolution Mass Spectrometry

(2014) Weidong Dai et al.   ANALYTICAL CHEMISTRY

Rapid discovery and identification of 68 compounds in the active fraction from Xiao–Xu–Ming decoction (XXMD) by HPLC–HRMS and MTSF technique

(2014) Cai-Hong Wang et al.   CHINESE CHEMICAL LETTERS

The rapid discovery and identification of physalins in the calyx of Physalis alkekengi L.var.franchetii (Mast.) Makino using ultra-high performance liquid chromatography–quadrupole time of flight tandem mass spectrometry together with a novel three-step data mining strategy

(2014) Cai Huang et al.   JOURNAL OF CHROMATOGRAPHY A

Liquid chromatography with mass spectrometry method based two-step precursor ion scanning for the structural elucidation of flavonoids

(2014) Yong Li et al.   JOURNAL OF SEPARATION SCIENCE

A Generic Multiple Reaction Monitoring Based Approach for Plant Flavonoids Profiling Using a Triple Quadrupole Linear Ion Trap Mass Spectrometry

(2014) Zhixiang Yan et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Rapid Identification of Polymethoxylated Flavonoids in Traditional Chinese Medicines with a Practical Strategy of Stepwise Mass Defect Filtering Coupled to Diagnostic Product Ions Analysis based on a Hybrid LTQ-Orbitrap Mass Spectrometer

(2014) Jia-Yu Zhang et al.   PHYTOCHEMICAL ANALYSIS

Post-acquisition analysis of untargeted accurate mass quadrupole time-of-flight MSEdata for multiple collision-induced neutral losses and fragment ions of glutathione conjugates

(2014) Andreas Brink et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Identification of the chemical components ofSaussurea involucrataby high-resolution mass spectrometry and the mass spectral trees similarity filter technique

(2014) Zhixin Jia et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

An integrated strategy for in vivo metabolite profiling using high-resolution mass spectrometry based data processing techniques

(2013) Jian Guo et al.   ANALYTICA CHIMICA ACTA

A new strategy for the discovery of epimedium metabolites using high-performance liquid chromatography with high resolution mass spectrometry

(2013) Ying Jin et al.   ANALYTICA CHIMICA ACTA

Comparison of Information-Dependent Acquisition, SWATH, and MSAll Techniques in Metabolite Identification Study Employing Ultrahigh-Performance Liquid Chromatography–Quadrupole Time-of-Flight Mass Spectrometry

(2013) Xiaochun Zhu et al.   ANALYTICAL CHEMISTRY

Sensitive and reliable multianalyte quantitation of herbal medicine in rat plasma using dynamic triggered multiple reaction monitoring

(2013) Zhixiang Yan et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Structure-oriented UHPLC-LTQ Orbitrap-based approach as a dereplication strategy for the identification of isoflavonoids fromAmphimas pterocarpoidescrude extract

(2013) Job Tchoumtchoua et al.   JOURNAL OF MASS SPECTROMETRY

Molecular Networking as a Dereplication Strategy

(2013) Jane Y. Yang et al.   JOURNAL OF NATURAL PRODUCTS

Systematic identification and quantification of tetracyclic monoterpenoid oxindole alkaloids in Uncaria rhynchophylla and their fragmentations in Q-TOF-MS spectra

(2013) Shuanglu Xie et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

New triterpene saponins from the roots of Glycyrrhiza yunnanensis and their rapid screening by LC/MS/MS

(2013) Shuai Ji et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Strategies for ascertaining the interference of phase II metabolites co-eluting with parent compounds using LC-MS/MS

(2013) Caiming Tang et al.   JOURNAL OF SEPARATION SCIENCE

Characterisation and Identification of Dihydroindole-type Alkaloids From Processed Semen Strychni by High-Performance Liquid Chromatography Coupled with Electrospray Ionisation Ion Trap Time-of-Flight Mass Spectrometry

(2013) Ji-Xin Tian et al.   PHYTOCHEMICAL ANALYSIS

Rapid screening and identification of target constituents using full scan-parent ions list-dynamic exclusion acquisition coupled to diagnostic product ions analysis on a hybrid LTQ-Orbitrap mass spectrometer

(2013) Jia-Yu Zhang et al.   TALANTA

Data acquisition and data mining techniques for metabolite identification using LC coupled to high-resolution MS

(2013) Shuguang Ma et al.   Bioanalysis

Prediction of liquid chromatographic retention for differentiation of structural isomers

(2012) Elli Tyrkkö et al.   ANALYTICA CHIMICA ACTA

Rapid identification of ophiopogonins and ophiopogonones in Ophiopogon japonicus extract with a practical technique of mass defect filtering based on high resolution mass spectrometry

(2012) Tong Xie et al.   JOURNAL OF CHROMATOGRAPHY A

Recent developments in liquid chromatography–mass spectrometry and related techniques

(2012) Michal Holčapek et al.   JOURNAL OF CHROMATOGRAPHY A

Diagnostic ion filtering to characterize ginseng saponins by rapid liquid chromatography with time-of-flight mass spectrometry

(2012) Lian-Wen Qi et al.   JOURNAL OF CHROMATOGRAPHY A

In-silico studies in Chinese herbal medicines’ research: Evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date

(2012) D.J. Barlow et al.   JOURNAL OF ETHNOPHARMACOLOGY

The use of mass defect in modern mass spectrometry

(2012) Lekha Sleno   JOURNAL OF MASS SPECTROMETRY

Recent developments in qualitative and quantitative analysis of phytochemical constituents and their metabolites using liquid chromatography–mass spectrometry

(2012) Haifeng Wu et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Automated Precursor Ion Exclusion During LC-MS/MS Data Acquisition for Optimal Ion Identification

(2012) Zhongqi Zhang   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Neutral Fragment Filtering for Rapid Identification of New Diester-Diterpenoid Alkaloids in Roots of Aconitum carmichaeli by Ultra-High-Pressure Liquid Chromatography Coupled with Linear Ion Trap-Orbitrap Mass Spectrometry

(2012) Jing Zhang et al.   PLoS One

Mass spectral molecular networking of living microbial colonies

(2012) J. Watrous et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High-resolution mass spectrometry for integrated qualitative and quantitative analysis of pharmaceuticals in biological matrices

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Efficient Use of Retention Time for the Analysis of 302 Drugs in Equine Plasma by Liquid Chromatography-MS/MS with Scheduled Multiple Reaction Monitoring and Instant Library Searching for Doping Control

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Ultrasonic/microwave assisted extraction and diagnostic ion filtering strategy by liquid chromatography–quadrupole time-of-flight mass spectrometry for rapid characterization of flavonoids in Spatholobus suberectus

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Rapid Analysis of 27 Components of Isodon serra by LC–ESI-MS–MS

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A practical strategy for the characterization of coumarins in Radix Glehniae by liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry

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MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Rapid and global detection and characterization of aconitum alkaloids in Yin Chen Si Ni Tang, a traditional Chinese medical formula, by ultra performance liquid chromatography–high resolution mass spectrometry and automated data analysis

(2010) Guangli Yan et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Recent advances on HPLC/MS in medicinal plant analysis

(2010) Dirk Steinmann et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Pseudo-neutral-loss scan for selective detection of phosphopeptides and N-glycopeptides using liquid chromatography coupled with a hybrid linear ion-trap/orbitrap mass spectrometer

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An Accurate-Mass-Based Spectral-Averaging Isotope-Pattern-Filtering Algorithm for Extraction of Drug Metabolites Possessing a Distinct Isotope Pattern from LC-MS Data

(2009) Peijuan Zhu et al.   ANALYTICAL CHEMISTRY

Molecular networks for the study of TCM Pharmacology

(2009) J. Zhao et al.   BRIEFINGS IN BIOINFORMATICS

Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry

(2009) Haiying Zhang et al.   JOURNAL OF MASS SPECTROMETRY

Generic dealkylation: a tool for increasing the hit-rate of metabolite rationalization, and automatic customization of mass defect filters

(2009) Russell J. Mortishire-Smith et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Interferences and contaminants encountered in modern mass spectrometry

(2008) Bernd O. Keller et al.   ANALYTICA CHIMICA ACTA

Unbiased High-Throughput Screening of Reactive Metabolites on the Linear Ion Trap Mass Spectrometer Using Polarity Switch and Mass Tag Triggered Data-Dependent Acquisition

(2008) Zhengyin Yan et al.   ANALYTICAL CHEMISTRY

Natural products in drug discovery

(2008) A HARVEY   DRUG DISCOVERY TODAY

Phytochemical analysis of traditional Chinese medicine using liquid chromatography coupled with mass spectrometry

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Rapid screening and characterization of drug metabolites using a multiple ion monitoring-dependent MS/MS acquisition method on a hybrid triple quadrupole-linear ion trap mass spectrometer

(2008) Ming Yao et al.   JOURNAL OF MASS SPECTROMETRY

Diagnostic fragment-ion-based extension strategy for rapid screening and identification of serial components of homologous families contained in traditional Chinese medicine prescription using high-resolution LC-ESI- IT-TOF/MS:Shengmai injectionas an example

(2008) Chaonan Zheng et al.   JOURNAL OF MASS SPECTROMETRY

Systematic screening and characterization of flavonoid glycosides in Carthamus tinctorius L. by liquid chromatography/UV diode-array detection/electrospray ionization tandem mass spectrometry

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