AIMC Topic: Isotopes

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Predicting the Presence of Uncommon Elements in Unknown Biomolecules from Isotope Patterns.

Analytical chemistry Jul 22, 2016
The determination of the molecular formula is one of the earliest and most important steps when investigating the chemical nature of an unknown compound. Common approaches use the isotopic pattern of a compound measured using mass spectrometry. Compu...
Machine Learning Algorithms Mass Spectrometry Isotopes Molecular Weight Datasets as Topic Chemical Phenomena Elements
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Predicting equilibrium vapour pressure isotope effects by using artificial neural networks or multi-linear regression - A quantitative structure property relationship approach.

Chemosphere Jan 3, 2015
We aim at predicting the effect of structure and isotopic substitutions on the equilibrium vapour pressure isotope effect of various organic compounds (alcohols, acids, alkanes, alkenes and aromatics) at intermediate temperatures. We attempt to explo...
Neural Networks, Computer Environmental Monitoring Isotopes Linear Models Quantitative Structure-Activity Relationship Vapor Pressure
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[Determination of 32 polychlorinated biphenyls in aquatic products by gas chromatography-high-resolution mass spectrometry with accelerated solvent extraction-purification simultaneously coupled to isotope internal standard method].

Se pu = Chinese journal of chromatography Jul 8, 2020
Gas chromatography (GC)-high-resolution mass spectrometry (HRMS) with accelerated solvent extraction (ASE)-purification simultaneously coupled to the isotope internal standard method is proposed for the determination of 32 polychlorinated biphenyls (...
Reproducibility of Results Food Contamination Food Analysis Gas Chromatography-Mass Spectrometry Isotopes Polychlorinated Biphenyls Seafood Solvents
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