regioselectivity of protonation
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Positive desorption chemical ionization/tandem mass spectrometry of natural isomeric morphinans: Regioselectivity of protonation, positional and stereochemical effects upon decomposition

Organic Mass Spectrometry ◽

10.1002/oms.1210240702 ◽

1989 ◽

Vol 24 (7) ◽

pp. 445-454 ◽

Cited By ~ 6

Author(s):

Brigitte Charles ◽

Richard B. Cole ◽

Jean Bruneton ◽

Jean-Claude Tabet

Keyword(s):

Mass Spectrometry ◽

Tandem Mass Spectrometry ◽

Chemical Ionization ◽

Tandem Mass ◽

Desorption Chemical Ionization ◽

Regioselectivity Of Protonation ◽

Ionization Tandem Mass Spectrometry

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Quantum-chemical MO study of protonation of 1-methyl-1,4-dihydronicotinamide

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19823044 ◽

1982 ◽

Vol 47 (11) ◽

pp. 3044-3054

Author(s):

Jiří Krechl ◽

Stanislav Böhm ◽

Josef Kuthan

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Acid Media ◽

Regioselectivity Of Protonation

The methods EHT, CNDO/2, MNDO and ab initio STO-3G have been used to study regioselectivity of protonation of 1-methyl-1,4-dihydronicotinamide (I, R = CH3). The results obtained are discussed in relation to lability of the NAD(P)H coenzymes in acid media and agree well with experimantal findings.