(Mass Spectrometric) Non Target Screening-Techniques and Strategies

• Other Authors: Letzel, Thomas (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Subjects: Ganoderma lingzhi; developmental stages; untargeted metabolomics; GC/MS; LC/IT-TOF-MS; α-glucosidase inhibitory activity; azoxystrobin; glutathione; glutathione conjugate; tea; metabolomics; software; database; MS subtraction; spectral deconvolution; 2DGC; volatilomics; amino acids; equation; HPLC; MS/MS; NTS techniques (separation, ionization, and detection); nucleosides; open access software; target gas; triple quadrupole; mass spectrometry; non-target screening; ultraviolet photodissociation; higher-energy collisional dissociation; organic micropollutants; water quality; small molecule fragmentation; cheminformatics; data analysis; furan; 2-methylfuran; UPLC-qToF; untargeted analysis; urinary metabolites; Ionization; quantification; decision making; NTS strategies; gas chromatography ion mobility spectroscopy (GC-IMS); volatile organic compounds (VOCs); non-targeted screening (NTS) using machine learning; GC-API; GC-APCI; GC-APLI; GC-APPI; GC-MS; persistent organic pollutants; nontargeted screening; computational mass spectrometry; emerging contaminants; high-resolution mass spectrometry; micropollutant fingerprint; solid phase extraction; statistical analysis; urban waters; glycomics; glycoproteomics; glycosylation; proteomics; in silico docking; network pharmacology; non-small cell lung cancer; marker compounds; non-targeted screening; pharmaceutical and personal care products; plant-derived food; collision cross section; ion mobility spectrometry; machine learning; lipidomics; review; analytical; corticosteroids; NSAIDs
• Online Access: DOAB: download the publication; DOAB: description of the publication

(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.