[HTML][HTML] Software tools and approaches for compound identification of LC-MS/MS data in metabolomics

I Blaženović, T Kind, J Ji, O Fiehn - Metabolites, 2018 - mdpi.com
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …

[HTML][HTML] Advances in structure elucidation of small molecules using mass spectrometry

T Kind, O Fiehn - Bioanalytical reviews, 2010 - Springer
The structural elucidation of small molecules using mass spectrometry plays an important
role in modern life sciences and bioanalytical approaches. This review covers different soft …

[图书][B] Масс-спектрометрия в органической химии

А Лебедев - 2022 - books.google.com
В учебном пособии рассматриваются основы современной масс-спектрометрии
органических соединений: методы ионизации и разделения ионов, физико-химические …

Quantum chemistry calculations for metabolomics: Focus review

RM Borges, SM Colby, S Das, AS Edison… - Chemical …, 2021 - ACS Publications
A primary goal of metabolomics studies is to fully characterize the small-molecule
composition of complex biological and environmental samples. However, despite advances …

A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

T De Vijlder, D Valkenborg, F Lemière… - Mass spectrometry …, 2018 - Wiley Online Library
The identification of unknown molecules has been one of the cornerstone applications of
mass spectrometry for decades. This tutorial reviews the basics of the interpretation of …

Review of sialic acid's biochemistry, sources, extraction and functions with special reference to edible bird's nest

AJW Ling, LS Chang, AS Babji, J Latip, M Koketsu… - Food Chemistry, 2022 - Elsevier
Sialic acids are a group of nine-carbon α-keto acids. Sialic acid exists in more than 50 forms,
with the natural types discovered as N-acetylneuraminic acid (Neu5Ac), deaminoneuraminic …

From sample treatment to biomarker discovery: A tutorial for untargeted metabolomics based on GC-(EI)-Q-MS

A Mastrangelo, A Ferrarini, F Rey-Stolle, A Garcia… - Analytica chimica …, 2015 - Elsevier
This tutorial provides a comprehensive description of the GC-MS-based untargeted
metabolomics workflow including: ethical approval requirement, sample collection and …

Derivatization of carbohydrates for analysis by chromatography; electrophoresis and mass spectrometry

DJ Harvey - Journal of Chromatography B, 2011 - Elsevier
Carbohydrates display a large diversity of structures and their analysis presents many
obstacles as the result of properties such as isomeric diversity, existence of branched …

[图书][B] Massenspektrometrie: Eine Einführung

H Budzikiewicz, M Schäfer - 2012 - books.google.com
Die Massenspektrometrie, besonders in Kombination mit anderen Verfahren hat sich
mittlerweile zu einer der wichtigsten Analysemethoden entwickelt, und zwar nicht nur in der …

Data analysis tool for comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

S Castillo, I Mattila, J Miettinen, M Oresic… - Analytical …, 2011 - ACS Publications
Data processing and identification of unknown compounds in comprehensive two-
dimensional gas chromatography combined with time-of-flight mass spectrometry (GC× …