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(Mass Spectrometric) Non Target Screening–Techniques and Strategies
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(Mass spectrometric) non-target screening is a preferably comprehensive and untargeted (predominantly organic molecules detecting) approach combining (robust) analytical measurements with adapted data evaluation concepts, systematic compound identification workflows, and statistical data interpretation. It is well suitable for the identification of new, unexpected and/or unknown organic compounds as well as monitoring ‘molecular fingerprints’ and profiling ‘process-relevant’ molecules via statistical methods. In recent years, 14 articles in various disciplines were published and presented in this Special Issue, whereby it contains 4 peer-reviewed review articles and 10 peer-reviewed research articles dealing with non-target screening strategies and solutions.
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Keywords
- 2-methylfuran
- 2DGC
- amino acids
- Analytical
- azoxystrobin
- cheminformatics
- collision cross section
- computational mass spectrometry
- corticosteroids
- data analysis
- Database
- Decision making
- developmental stages
- Emerging contaminants
- equation
- furan
- Ganoderma lingzhi
- gas chromatography ion mobility spectroscopy (GC-IMS)
- GC/MS
- GC–APCI
- GC–API
- GC–APLI
- GC–APPI
- GC–MS
- Glutathione
- glutathione conjugate
- glycomics
- glycoproteomics
- Glycosylation
- high-resolution mass spectrometry
- higher-energy collisional dissociation
- HPLC
- in silico docking
- ion mobility spectrometry
- ionization
- LC/IT-TOF-MS
- lipidomics
- Machine learning
- marker compounds
- Mass Spectrometry
- metabolomics
- micropollutant fingerprint
- MS subtraction
- MS/MS
- network pharmacology
- Non-Small Cell Lung Cancer
- non-target screening
- non-targeted screening
- non-targeted screening (NTS) using machine learning
- nontargeted screening
- NSAIDs
- NTS strategies
- NTS techniques (separation, ionization, and detection)
- nucleosides
- open access software
- organic micropollutants
- persistent organic pollutants
- pharmaceutical and personal care products
- plant-derived food
- Proteomics
- quantification
- review
- small molecule fragmentation
- Software
- solid phase extraction
- spectral deconvolution
- statistical analysis
- target gas
- Tea
- triple quadrupole
- ultraviolet photodissociation
- untargeted analysis
- untargeted metabolomics
- UPLC-qToF
- urban waters
- urinary metabolites
- volatile organic compounds (VOCs)
- volatilomics
- Water quality
- α-glucosidase inhibitory activity
Links
DOI: 10.3390/books978-3-0365-6640-5Editions