How to Identify the Name of a Compound/Substance by Analyzing a Mass Spectrum
A mass spectrum is a graphical representation where the x-axis represents the mass-to-charge ratio (m/z) and the y-axis represents relative abundance. Each peak represents an ion, with its position indicating the ion's m/z value and its height indicating the ion's relative abundance.
1. Identifying the Molecular Ion Peak
The molecular ion peak (M+ peak) is typically the highest peak in the mass spectrum, representing the intact molecular ion. This peak provides information about the compound's molecular mass.
2. Analyzing Fragment Ion Peaks
Apart from the molecular ion peak, other peaks in the mass spectrum represent fragment ions formed after the molecular ion undergoes fragmentation. Analyzing these fragment ion peaks helps deduce the possible structure of the compound.
3. Considering Isotope Peaks
If the compound contains isotopic elements, such as chlorine or bromine, characteristic isotope peaks will appear in the mass spectrum. These peaks provide information about the compound's elemental composition.
4. Consulting Databases
Many databases, such as the NIST (National Institute of Standards and Technology) Mass Spectral Database, contain a wealth of mass spectra. Comparing the spectrum with those in the database can assist in determining the compound's name.
MtoZ Biolabs, an integrated chromatography and mass spectrometry (MS) services provider.
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