GC-EI-MS datasets of trimethylsilyl (TMS) and tert-butyl dimethyl silyl (TBDMS) derivatives for development of machine learning-based compound identification approaches

GC-EI-MS datasets of trimethylsilyl (TMS) and tert-butyl dimethyl silyl (TBDMS) derivatives for development of machine learning-based compound identification approaches

In the field of environment and health studies, recent trends have focused on the identification of contaminants of emerging concern (CEC). This is a complex, challenging task, as resources, such as compound databases (DBs) and mass spectral libraries (MSLs) concerning these compounds are very poor....

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Bibliographic Details
Main Authors: Milka Ljoncheva, Sintija Stevanoska, Tina Kosjek, Sašo Džeroski
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Data in Brief
Subjects:
Silylation
Derivative
Identification
Machine learning
GC-MS
Mass spectrometry
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340923002573

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http://www.sciencedirect.com/science/article/pii/S2352340923002573

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