This page looks at how fragmentation patterns are formed when organic molecules are fed into a mass spectrometer, and how you can get information from the mass spectrum. The Origin of Fragmentation Patterns

In mass spectrometry, fragmentation is the dissociation of energetically unstable molecular ions formed from passing the molecules mass spectrum. These reactions are well documented over the decades and fragmentation patterns are useful to determine the molar weight and structural information of unknown molecules.

2023年8月29日 · Following are examples of compounds listed by functional group, which demonstrate patterns which can be seen in mass spectra of compounds ionized by electron impact ionization. These examples do not provide information about the fragmentation mechanisms that cause these patterns.

What mass is lost from M+ to give these peaks? What ions could give these peaks? If available, use IR data to identify functionality, and consider known fragmentation patterns of these groups.

This page looks at how fragmentation patterns are formed when organic molecules are fed into a mass spectrometer, and how you can get information from the mass spectrum. When the vaporised organic sample passes into the ionisation chamber of a mass spectrometer, it is bombarded by a stream of electrons.

Mass spectroscopy, when coupled with either gas or liquid chromatography, can analyze a complex mixture that an NMR or IR could not. A MS is also the only way to determine the molecular mass of a compound.

Explore the diverse ion types and fragmentation processes in mass spectrometry, revealing valuable insights into molecular composition and structure. Learn about molecular ions, isotopic ions, fragment ions, rearrangement ions, and more.

2021年6月17日 · Here, we present molDiscovery, a mass spectral database search method that improves both efficiency and accuracy of small molecule identification by learning a probabilistic model to match small...

What fragment ions are characteristics for glucuronide conjugates? What happens with aliphatic sulfates in MS/MS? Aliphatic and aromatic sulfate conjugates behave differently in MS/MS aliphatic typically show m/z 97 (HSO4-) and m/z 80 (SO3-.) Source: Weidolf et al. Biomed. and Environ. Mass Spec. 15, 283-289, 1988. NL = neutral loss.

When molecules go through a mass spectrometer, they break into pieces in a variety of different ways. There are many ways in which the molecules might break apart, but a few of these pathways are especially useful to know. An alpha fragmentation is driven by both bond formation and cation stability.