Mass spectral fragmentation pathways in some dinitroaromatic compounds studied by collision-induced dissociation and tandem mass spectrometry

✍ Scribed by Jehuda Yinon

• Publisher: John Wiley and Sons
• Year: 1992
• Tongue: English
• Weight: 394 KB
• Volume: 27
• Category: Article
• ISSN: 1076-5174
• DOI: 10.1002/oms.1210270608

✦ Synopsis

A collipiobiaduced dissociation study of a series of dinitrmromatic compounds was carried out using a tandem BB mpss spectrometer. Fra.gmentation pathways were determid in the electron impact mode. Loss of NO,' from the molecular ion was observed in most of tbe investigated compouods. In some compaunds loss of NO,' occurred only after loss of OH. In 0 t h compounds it was not observed at all hecause of competitive proasses, such as loss of . Loss of N O was a major decomposition pathway, forming 'dished peaks' in some of the compounds having a nitro group ortho to a pbenyl group, indicating a release of kinetic energy associated with the decomposition. Loss of O H due to an 'ortho e&t' occurred in cornpour& where a nitro group was ortho to a group coatainiq a labile hydrogen, but was not observed when competitive processes such as loss of N O , NO,' or H,O occurred. 'Nitro to nitrite' isomerhtioa was suggested to explain the decarboxylation process in 54a d 2,%linitrobenzoic acid a d the loss of COH, in 2,4dinitrwnisole. 'The abundances of the fragment ions are listed in parentheses alongside their m/z values.