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A mass spectrum is a histogram plot of intensity vs. mass-to-charge ratio (m/z) in a chemical sample, [1] usually acquired using an instrument called a mass spectrometer. Not all mass spectra of a given substance are the same; for example, some mass spectrometers break the analyte molecules into fragments ; others observe the intact molecular ...
Mass spectral interpretation is the method employed to identify the chemical formula, characteristic fragment patterns and possible fragment ions from the mass spectra. [1] [2] Mass spectra is a plot of relative abundance against mass-to-charge ratio. It is commonly used for the identification of organic compounds from electron ionization mass ...
Molecular structure databases are orders of magnitude larger than reference spectra libraries (PubChem containing ~111 million compounds in 2021 [11] compared to NIST Tandem Mass Spectral Library containing ~50.000 compounds in 2023 [12]).
Ion mobility spectrometry-mass spectrometry (IMS/MS or IMMS) is a technique where ions are first separated by drift time through some neutral gas under an applied electrical potential gradient before being introduced into a mass spectrometer. [43] Drift time is a measure of the collisional cross section relative to the charge of the ion.
In mass spectrometry the mass defect is defined as the difference between the exact mass and the nearest integer mass. [21] [22] The Kendrick mass defect is the exact Kendrick mass subtracted from the nearest integer Kendrick mass. [23] Mass defect filtering can be used to selectively detect compounds with a mass spectrometer based on their ...
Zearalenone is a white crystalline solid, with molecular formula C 18 H 22 O 5 and 318.364 g/mol molecular weight. It is a resorcyclic acid lactone.It exhibits blue-green fluorescence when excited by long wavelength ultraviolet (UV) light (360 nm) and a more intense green fluorescence when excited with short wavelength UV light (260 nm). [4]
spectra CAS ionization energy mass spectrum, InChI C+CAS "NIST Webbook". NMRShiftDB University of Cologne: organic nuclear magnetic resonance spectra "NMRShiftDB". 43,581 NORMAN SLE NORMAN Suspect List Exchange environmental monitoring "NORMAN SLE". 110,000 OMG Open Macromolecular Genome Jackson group at University of Illinois at Urbana-Champaign
A mass chromatogram is a representation of mass spectrometry data as a chromatogram, where the x-axis represents time and the y-axis represents signal intensity. [1] The source data contains mass information; however, it is not graphically represented in a mass chromatogram in favor of visualizing signal intensity versus time.