1 / 22

Reference Materials

McLafferty & Turacek, “Interpretation of Mass Spectra”, 4 th Ed. (University Science Books) NIST: http://webbook.nist.gov/chemistry (online spectra) University of Sheffield: http://www.shef.ac.uk/~chem/chemputer (Isotope envelope calculator). Reference Materials.

venus-pugh
Download Presentation

Reference Materials

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript


  1. McLafferty & Turacek, “Interpretation of Mass Spectra”, 4th Ed. (University Science Books) NIST: http://webbook.nist.gov/chemistry (online spectra) University of Sheffield: http://www.shef.ac.uk/~chem/chemputer (Isotope envelope calculator) Reference Materials

  2. A generic mass spectrometer

  3. Magnetic Mass Filtration m/z = 4.82 x 10-5 B2r2/V m Ion mass z Ion charge B Magnetic field strength (Gauss) r Radius of ion path (cm) V Ion accelerating voltage (volts)

  4. A typical spectrum

  5. Isotopic Abundances for Important Elements C: 12C 100 13C 1.1 14C <0.1 N: 14N 100 15N 0.37 H: 1H 100 2H 0.015 3H <0.001 Cl 35Cl 100 37Cl 32.5 Br: 79Br 100 81Br 98 O: 16O 100 17O 0.04 18O 0.20 Si: 28Si 100 29Si 5.1 30Si 3.4 S: 32S 100 33S 0.8 34S 4.4

  6. Classification of elements A A+1 A+2 H C O F (19F) N Si P (31P) S I (127I) Cl Br

  7. Contribution to (M+1) vs. Number of Carbons

  8. Halogen Patterns

  9. Example 1 12,42 13,17 14,17 15,1 26,168 27,999 28,17 29,1

  10. Example 2 12,5 13,9 14,21 15,466 16,6 46,14 47,25 48,11 79,63 80,16 81,63 82,16 91,68 92,40 93,209 94,999 95,149 96,942 97,11

  11. Calculating unsaturations (R + D) = x – ½ y + ½ z + 1 for CxHyNzOn Cl, Br, F =H S = O P = N Si = C

  12. Diethyl Ether

  13. Triethylamine

  14. Decane

  15. 2,7-Dimethyloctane

  16. Hexylbenzene

  17. Generation of the m/z = 91 peak

  18. Ephedrine

  19. Methamphetamine

  20. Phentermine

  21. THC (Tetrahydrocannabinol)

  22. MDMA (Ecstasy)

More Related