Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation

2014 ◽  
Vol 28 (10) ◽  
pp. 1127-1143 ◽  
Author(s):  
Patricia Wright ◽  
Alexander Alex ◽  
Frank Pullen
Keyword(s):  
Collision Induced Dissociation ◽  
Mass Spectral ◽  
Spectral Interpretation ◽  
Semi Empirical

Differentiation of the Isomeric o-(m- and p-) Nitro-(Chloro- and Bromo-)Benzyl-2,4-(and 2,1-) Disubstituted 2-Thiocytosinium Halides by Electron Impact Ionisation and Fast Atom Bombardment Mass Spectrometry

2009 ◽  
Vol 15 (4) ◽  
pp. 497-506 ◽  
Author(s):  
Tomasz Pospieszny ◽  
Elżbieta Wyrzykiewicz
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectra ◽  
Fast Atom Bombardment ◽  
Collision Induced Dissociation ◽  
Mass Measurements ◽  
Fragmentation Pathways ◽  
Mass Spectral ◽  
Fragment Ions ◽  
Accurate Mass Measurements ◽  
Impact Ionisation

Electron ionisation (EI) and fast atom bombardment (FAB) mass spectral fragmentations of nine 2,4-(and 2,1-) disubstituted o-( m- and p-)nitro-(chloro- and bromo-)-2-thiocytosinium halides are investigated. Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions [EI-mass spectrometry (MS)], as well as FAB/collision-induced dissociation (CID) mass spectra measurements are discussed. The correlations between the abundances of the (C11H10N4SO2)+1–3; (C11H10N3SCl)+4–6 and (C11H10N3SBr)+7–9 ions and the selected fragment ions (EI-MS), as well as (C18H16N5SO4)+1–3; (C18H16N3SCl2)+4–6 and (C18H16N3SBr2) + 7–9 ions and the selected ions (C7H6NO2)+1–3; (C7H6Cl)+ 4–6; (C7H6Br)+ 7–9 (FAB-MS) are discussed. The data obtained can be used for distinguishing isomers.

scholarly journals SHRIMP PASTE “TERASI” VOLATILE COMPOUNDS FROM NORTHERN COAST OF CENTRAL JAVA

2016 ◽  
Vol 78 (4-2) ◽  
Author(s):  
Retno Murwani ◽  
Hera Surya Adhi Putra ◽  
Henggar Widiyanto ◽  
Agus Trianto ◽  
Ambariyanto Ambariyanto
Keyword(s):  
Volatile Compounds ◽  
Northern Coast ◽  
Mass Spectral ◽  
Central Java ◽  
Spectral Interpretation

A study was conducted to identify the composition of volatile compounds from traditional fermented shrimp called ‘terasi’. Terasi samples were collected from six regions of northern coast of Central Java, Indonesia namely Pekalongan, Batang, Kendal, Demak, Jepara, and Pati. Mass spectral interpretation showed that terasi from these regions could be identified to contain a total of 102 volatile compounds. Terasi from Pekalongan, Batang, Kendal, Demak, Jepara, and Pati, each contained nine, 21, 10, 29, 12, and 21 volatile compounds respectively. There were four similar volatile compounds from Demak, Jepara, and Pati samples, and two distinctive off odor in all six regions. 

TEAM-BASED LEARNING STRATEGY TO IMPROVE MASS SPECTRAL INTERPRETATION ON POST-GRADUATE STUDENTS

2020 ◽  
Author(s):  
Ane Arrizabalaga-Larrañaga ◽  
Guillem Campmajó ◽  
Juan Francisco Ayala-Cabrera ◽  
Raquel Seró ◽  
Francisco Javier Santos ◽  
...  
Keyword(s):  
Graduate Students ◽  
Learning Strategy ◽  
Post Graduate ◽  
Mass Spectral ◽  
Spectral Interpretation ◽  
Team Based Learning

Electron impact mass spectral interpretation for some thiophosphoryl-p-acetylaminobenzenesulfonamides

2001 ◽  
Vol 15 (9) ◽  
pp. 721-729 ◽  
Author(s):  
I. Fenesan ◽  
Rodica Popescu ◽  
C.T. Supuran ◽  
Simona Nicoara ◽  
Monica Culea ◽  
...  
Keyword(s):  
Electron Impact ◽  
Mass Spectral ◽  
Spectral Interpretation ◽  
Electron Impact Mass ◽  
Impact Mass
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