Advanced Organic Chemistry: Mass spectrum of 3-methylhexane SITEMAP * HOME PAGE * SEARCH * GCSE Level Chemistry age ~14-16 * Advanced Level Chemistry age ~16-19
Interpreting the mass spectrum of 3-methylhexane Doc Brown's Chemistry Advanced Level Pre-University Chemistry Revision Study Notes for UK IB KS5 A/AS GCE advanced A level organic chemistry students US K12 grade 11 grade 12 organic chemistry courses involving molecular spectroscopy analysing mass spectra of 3-methylhexane Re-editMass spectroscopy - spectra index See also comparing the 1H NMR and 13C NMR spectra of the nine alkane structural isomers of C7H16 Mass spectra 3-methylhexane spectra note: Students and teachers please note my explanation of the mass spectrum of 3-methylhexane is designed for advanced, but pre-university, chemistry courses. If M represents the 3-methylhexane molecule, the initial ionisation to give the molecular ion is: M(g) + high KE e- ==> [M]+(g) + 2e-. Fragmentation equations assume [M]+ is the start of the processes and all species are in a gaseous state. I've not usually shown an unpaired electron on e.g. a non-ionised alkyl radical R e.g. [M]+ ==> [X]+ + R•, but you should be aware this is a more accurate depiction of some processes, but I've used simplified equations to show how some of the ions are formed in the fragmentation pattern for 3-methylhexane. Stick diagram and table of m/z ions for the mass spectrum of 3-methylhexane.
3-methylhexane C7H16
Interpreting the fragmentation pattern of the mass spectrum of 3-methylhexane [M]+ is the molecular ion peak (M) with an m/z of 100 corresponding to [C7H16]+, the original 3-methylhexane molecule minus an electron, [CH3CH2CH(CH3)CH2CH2CH3]+ The very tiny M+1 peak at m/z 105, corresponds to an ionised 3-methylhexane molecule with one 13C atom in it i.e. an ionised 3-methylhexane molecule of formula [13C12C6H16]+
The most abundant ion of the molecule under mass spectrometry investigation (3-methylhexane) is usually given an arbitrary abundance value of 100, called the base ion peak, and all other abundances ('intensities') are measured against it.
Identifying the species giving the most prominent peaks (apart from M) in the fragmentation pattern of 3-methylhexane. Unless otherwise indicated, assume the carbon atoms in heptane are the 12C isotope. Some of the possible positive ions, [molecular fragment]+, formed in the mass spectrometry of 3-methylhexane.
Identifying the species giving the most prominent peaks (apart from M) in the fragmentation pattern of 3-methylhexane.
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