Identification of small molecules using accurate mass MS/MS search

T Kind, H Tsugawa, T Cajka, Y Ma, Z Lai… - Mass spectrometry …, 2018 - Wiley Online Library
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS
spectra from screening small molecules in fields such as environmental analysis, drug …

Recent advances and trends in the liquid-chromatography–mass spectrometry analysis of flavonoids

A de Villiers, P Venter, H Pasch - Journal of Chromatography A, 2016 - Elsevier
Flavonoids have elicited significant attention as a result of their importance in plants, their
influence on the properties of natural-product derived commodities and especially as a …

Avoiding misannotation of in-source fragmentation products as cellular metabolites in liquid chromatography–mass spectrometry-based metabolomics

YF Xu, W Lu, JD Rabinowitz - Analytical chemistry, 2015 - ACS Publications
Liquid chromatography–mass spectrometry (LC-MS) technology allows for rapid quantitation
of cellular metabolites, with metabolites identified by mass spectrometry and …

Evaluation of a multiresidue capillary electrophoresis-quadrupole-time-of-flight mass spectrometry method for the determination of antibiotics in milk samples

D Moreno-González, AM Hamed… - … of Chromatography A, 2017 - Elsevier
A selective and rapid method has been developed to determine 15 antibiotic residues (eight
tetracyclines and seven quinolones) in milk samples by capillary zone electrophoresis …

Comprehensive characterization of C‐glycosyl flavones in wheat (Triticum aestivum L.) germ using UPLC‐PDA‐ESI/HRMSn and mass defect filtering

P Geng, J Sun, M Zhang, X Li… - Journal of Mass …, 2016 - Wiley Online Library
A comprehensive characterization of C‐glycosyl flavones in wheat germ has been
conducted using multi‐stage high resolution mass spectrometry (HRMSn) in combination …

Structural analysis of flavonoids and related compounds-a review of spectroscopic applications

PF Pinheiro, GC Justino - … —A Global Perspective of Their Role in …, 2012 - books.google.com
In 1936 St. Rusznyák and A. Szent-Györgyi described, in a paper in Nature (Rusznyàk &
Szent-György, 1936), the relief of certain pathological conditions, characterized by an …

Optimization of electrospray ionization source parameters for lipidomics to reduce misannotation of in-source fragments as precursor ions

RM Gathungu, P Larrea, MJ Sniatynski… - Analytical …, 2018 - ACS Publications
Lipidomics requires the accurate annotation of lipids in complex samples to enable
determination of their biological relevance. We demonstrate that unintentional in-source …

Enhanced in-source fragmentation annotation enables novel data independent acquisition and autonomous METLIN molecular identification

J Xue, X Domingo-Almenara, C Guijas… - Analytical …, 2020 - ACS Publications
Electrospray ionization (ESI) in-source fragmentation (ISF) has traditionally been minimized
to promote precursor molecular ion formation, and therefore its value in molecular …

Structural characterization of flavonoid glycosides from leaves of wheat (Triticum aestivum L.) using LC/MS/MS profiling of the target compounds

A Wojakowska, J Perkowski, T Góral… - Journal of Mass …, 2013 - Wiley Online Library
The aim of this study was to present integrated mass spectrometric methods for the structural
characterization and identification of flavonoid glycoconjugates. During the liquid …

Structural analysis and profiling of phenolic secondary metabolites of Mexican lupine species using LC–MS techniques

A Wojakowska, A Piasecka, PM García-López… - Phytochemistry, 2013 - Elsevier
Flavonoid glycoconjugates from roots and leaves of eight North America lupine species
(Lupinus elegans, Lupinus exaltatus, Lupinus hintonii, Lupinus mexicanus, Lupinus …