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  • Electronic Resource  (300)
  • Loose Leaf
  • 1995-1999
  • 1970-1974  (300)
  • 1971  (300)
  • Analytical Chemistry and Spectroscopy  (300)
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Material
  • Electronic Resource  (300)
  • Loose Leaf
Years
  • 1995-1999
  • 1970-1974  (300)
Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Temperature dependence of the NQR frequencies and relaxation times in Menshutkin's complexes on the basis of arsenic trichloride and tribromide (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 515-526 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The temperature dependence of NQR frequencies and spin-lattice relaxation times in Menshutkin's complexes, prepared on the basis of AsCl3 and AsBr3 have been investigated.The rotational oscillation frequencies νt and the average life times τa of rotational oscillation quanta have been calculated by both the Bayer and Woessner-Gutowsky theories.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030504
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  • 2
    Electronic Resource
    Electronic Resource
    Proton magnetic resonance spectra of thenyl derivatives - IIFor Part I, see Ref. 1.. Chloromethylthiophenes and some dithienylmethanes (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 527-531 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: PMR spectra of thirty-eight chloromethylthiophene and seven dithienylmethane derivatives were observed at 60 or 40 MHz. The chemical shifts of methylene protons were 4·63 to 5·25 ppm for monosubstituted 2-chloromethylthiophenes and 4·37 to 4·56 ppm for monosubstituted 3-chloromethylthiophenes, respectively, with reference to TMS. Those for 2,2′ -dithienylmethanes, which have one substituent in each ring, were 4·12 to 4·34 ppm. These shifs are useful for determination of the positions of the methylene groups in the related compounds. The long-range coupling constants observed for methylene proton signals are also useful for the determination of the positions of substituents.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030505
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  • 3
    Electronic Resource
    Electronic Resource
    Etude RMN de l'Acetone en Solution dans une Phase Nematique (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 533-537 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The NMR spectrum of acetone oriented in the nematic phase of butyl-p-(p′-ethoxyphenyloxycarbonyl) phenyl carbonate has been studied in the 48° to 58°C temperature range. The determination of direct coupling constants allows the computation of orientation parameters; these values lead us to emphasize the intervention of polarizability in orientation phenomena.
    Notes: Le spectre RMN de l'acétone orientée dans le p-(p′ ethoxyphenyloxycarbonyl)phényl carbonate de butyle est étudié dans l' intervalle de température 48° à 58°C. La mesure des constantes de couplage direct permet de calculer les facteurs d' orientation moléculaires; ceux-ci permettent de mettre en évidence ici l' intervention de la polarisabilité dans le phénoméne d' orientation.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030506
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  • 4
    Electronic Resource
    Electronic Resource
    Nuclear magnetic resonance spectra of carbanions - VIFor Part V, see Ref. 1.. Cumyl-, α-methylbenzyl- and benzyl carbanionsFor a preliminary paper of a part of this work, see Ref. 2. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 539-543 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The proton magnetic resonance spectra of the three title carbanions have been observed in THF with potassium as a counter ion. The ortho-protons in the α-methylbenzyl carbanion are nonequivalent at room temperature. This shows that the α-carbon in this carbanion is in the near-sp2 configuration. The aromatic proton chemical shifts of the benzylpotassium obtained here are at higher shielding than those of benzyllithium reported previously by Sandel and Freedman. This seems to arise from the different ionic nature of the bonds between carbon and metal in the carbanions.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030507
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  • 5
    Electronic Resource
    Electronic Resource
    NMR-Untersuchungen bei Prolin-enthaltenden DiketopiperazinenDiese Arbeit wurde im Organisch-Chemischen Institut der TU-München druchgeführt. Für diese Möglichkeit bin ich der Alexander von Humboldt-Stiftung zu Dank verpflichtet. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 545-550 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The NMR-spectra of cis- and trans-isomers of proline-containing diketopiperazines were investigated. It was demonstrated that the differences in the spectra are connected to the different position (pseudoaxial or pseudoequatorial) of the substituent (α-hydrogen atom, α-methyl-group, α-isopropyl-group).
    Notes: Bei NMR-Untersuchungen der cis- und trans-Reihe Prolin-enthaltender Diketopiperazine konnten Unterschiede zwischen den Signalen pseudoaxialer und pseudoäquatorialer Substituenten (α-Proton, α-Methylgruppe, α-iso-Propylgruppe) festgestellt werden.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030508
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  • 6
    Electronic Resource
    Electronic Resource
    Nuclear magnetic resonance studies of internal rotation - IIIFor Part II, see Ref. 1. Rotational barriers in META- and PARA-substituted N, N-dimethylcinnamamides (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 551-556 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The rotational barriers about the C—N bond of eight m- and p-substituted N, N-dimethyl cinnamamides have been determined by the iterative total line shape NMR method. The ΔG298·2-≠ values have been correlated with the substituent constants σ, σn and σ+. By comparison of the results with literature data, some conclusions about the accuracy of the barrier determination as well as the transmittance of polar effects in conjugated amides have been drawn.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030509
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  • 7
    Electronic Resource
    Electronic Resource
    A semi-empirical MO calculation of 13C chemical shifts - I: Alkanes (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 567-573 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C shielding constants have been calculated for a series of alkanes, methane to pentane. The quantities σd and σp have been obtained, using an average excitation energy approximation and the extended Hückel MO wave functions in terms of the Pople method. The results fit the experimental data and the VB results of Grant et al. fairly well. The quantity σd varies within a wide range for carbon atoms of various degrees of substitution. Two conformations of the hydrocarbons studied have been calculated. The results show that the 13C chemical shifts may be used for conformational analysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030511
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  • 8
    Electronic Resource
    Electronic Resource
    Tris(dipivaloylmethanato)europium induced shifts of proton resonances in π-deficient nitrogen heterocycles (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 575-582 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tris(dipivaloylmethanato)europium [Eu(DPM)3]induced shifts of the proton resonances of pyridine and its 2-methyl, 3-methyl, 2,3-dimethyl and 2,5-dimethyl derivatives, pyridazine, pyrimidine, pyrazine, quinoline, isoquinoline, 1,6-, 1,7- and 1,8-naphthyridine, cinnoline, phthalazine, quinazoline, quinoxaline, 1,4,5- and 1,4,6-triazanaphthalene, pteridine, acridine, phenanthridine and 1, 10-phenanthroline, have been measured for solutions containing 0·1, 0·3 and 0·5 molar equivalents of Eu(DPM)3. Differences in the behaviour of these heterocycles are discussed in terms of the steric relationship between the heterocycle and the complex. The 3 cos2 φ term, present in the expression for calculating pseudo-contact shifts, is shown to be important. The order of basicity of these heterocycles, as measured by their pKa values, cannot be used to predict the order of Eu(DPM)3 induced chemical shifts.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030512
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  • 9
    Electronic Resource
    Electronic Resource
    Nuclear magnetic resonance studies of methyl-5, 6-dicarboxy-2-norbornene derivatives (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 557-565 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple procedure is provided for the quantitative analysis of Diels-Alder adduct prepared from commercial methylcyclopentadiene and maleic anhydride by NMR spectra without further separation of its components. The adduct is considered as a mixture of endo norbornene derivatives (Cn), (Dn), (E) and (Fn) which are obtained from 1-, 2- and 5-methylcyclopentadiene and cyclopentadiene, respectively.The quantitative analysis of the adduct can be made on a basis of the ratio of the signal intensities of the olefinic protons in the adduct. The result shows that the adduct prepared under mild conditions mainly consists of three norbornene derivatives (Cn), (Dn) and (Fn), with a negligibly small amount of (E). When the adduct prepared under mild conditions is heated, it contains the exo isomers (Cx), (Dx) and (Fx). The ratio of the endo and the exo norbornene derivatives, i.e. ((Cn) + (Dn) + (Fn)):((Cx) + (Dx) + (Fx)), may be estimated from the signal intensities of the 5- and 6-protons.As the result of the analyses of the adducts which are obtained by heating at different temperatures the adduct prepared under mild conditions, the mole fraction of 2-methyl isomers (Dn) and (Dx), which is found to be 58 % in the adduct prepared at - 15°C, keeps on increasing with rising temperature and shows almost the same value, ∼86%, when heated above 150°C. Therefore, the equilibrium between 1-methyl and 2-methyl isomers does not change above 150°C. On the other hand, the isomerization from endo to exo isomers is not found below 110°C, and then exo isomers keep on increasing above 140°C.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030510
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  • 10
    Electronic Resource
    Electronic Resource
    Proton magnetic resonance spectrum of thiophen dissolved in a nematic solvent (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 583-587 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The PMR spectrum of thiophen dissolved in a nematic phase is reported. This spectrum has been analysed iteratively. The ratios of the various inter-proton distances determined in this study are in good agreement with those previously reported.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030513
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  • 11
    Electronic Resource
    Electronic Resource
    14N chemical shifts in the enamino ketone quaternary ammonium salts (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 589-594 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 14N chemical shifts were measured for a series of quaternary ammonium salts of enamino ketones. An upfield shift of the 14N resonance signals upon quaternization has been observed. The interpretation in terms of the approximate theory of nuclear magnetic shielding is given. The calculations for some model systems result in a general agreement with the experimental data.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030514
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  • 12
    Electronic Resource
    Electronic Resource
    Pentafluorobutane; an example of long-range five bond H—F coupling (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 599-604 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The complete analysis of the spectrum of 2,2,4,4,4-pentafluoro-n-butane is reported. From the sum of the vicinal proton-fluorine coupling constants an estimate of the conformational energy has been obtained and successively the long-range coupling of the individual conformers has been calculated.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030516
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  • 13
    Electronic Resource
    Electronic Resource
    Etudes RMN en Serie Heterocyclique - VIII:Mémoire précédent de cette série: J. Elguero, A. Fruchier et R. Jacquier J. Chim. Phys. 68, 1113 (1971). Effet des Dipivalomethanates de Nickel(II), Cobalt(II), Europium(III) et Praseodyme(III) sur les Deplacements Chimiques de quelques Derives du Pyrazoles (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 595-598 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The effects produced by four shift reagents on the proton magnetic resonance spectra of 1-methylimidazole and seven pyrazole derivatives have been determined. These results are discussed in the light of their usefulness in differentiating between structural isomers.
    Notes: On a déterminé l'effet produit par quatre réactifs de déplacement sur les signaux de sept derivés du pyrazole et sur ceux du methyl- 1 imidazole. Ces effets sont discutés en fonction de leur utilité pour différencier des structures isomères.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030515
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  • 14
    Electronic Resource
    Electronic Resource
    Spectroscopic studies on N,N-dimethylamides - IIIPart II, ref. 1. Amide-rotational barriers of N,N-dimethylbenzamides and -cinnamamides. A comparison of the NMR intensity ratio- and iterative total line shape methodPart of the thesis of K. Spaargaren, Amsterdam 1970. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 605-614 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Amide-rotational barriers of a series of para-substituted N,N-dimethylbenzamides and -cinnamamides have been obtained by both the intensity ratio method, according to Rogers and Woodbrey,2 and an iterative total line shape analysis.From a comparison of the results, it is concluded that a discussion of rotational barriers obtained with the intensity ratio method should preferably be based on ΔGTC
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030517
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  • 15
    Electronic Resource
    Electronic Resource
    Spectroscopic studies on N, N-dimethylamides - IVPart III, ref. 1. An NMR total line shape study of substituent effects and medium effects on amide-rotational barriers of N,N-dimethylbenzamides and -cinnamamidesPart of the thesis of K. Spaargaren, Amsterdam 1970. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 615-625 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Amide-rotational barriers obtained with a total line shape analysis of a series of para-substituted N,N-dimethylbenzamides and -cinnamamides are correlated with the result of an H. M. O. (Ω = 1·4) calculation. There is no difference in the activation parameters at a concentration of 0·25 M and 1 M in CDCI3 as a solvent.Despite the lower solvent polarity of chloroform (ε = 4·7) compared with acetonitrile (ε = 37·5) the rotational barriers in both solvents are about equal, probably due to hydrogen bonding in chloroform.The amide rotation rate appears to be very sensitive to traces of hydrochloric acid in a non-basic solvent like chloroform.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030518
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  • 16
    Electronic Resource
    Electronic Resource
    Forthcoming Meetings (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 635-635 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030520
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  • 17
    Electronic Resource
    Electronic Resource
    Carbon-13 chemical shifts of monosubstituted cyclohexanes (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 679-687 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carbon-13 chemical shifts of monosubstituted cyclohexane derivatives are compared with those of aliphatic compounds. The polar substituents exert a similar influence on the α-, β- and γ-carbons in both series of compounds. The δ-effect is shown to be characteristic mainly to the cyclic compounds, however. The appearance of a δ-effect is discussed as a possible consequence of electron delocalization in alicyclic molecules. A correlation of these δ-effects with inductive parameters of the substituents is presented.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030606
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  • 18
    Electronic Resource
    Electronic Resource
    A new N-alkylation reaction - V:Part IV: Tetrahedron Letters 28, 2455 (1970). NMR investigations (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 689-691 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structure elucidation of some isomeric imidazo(1,2-a)pyrimidones by NMR spectroscopy is described. The tautomerism of the compounds with non-substituted nitrogen is also discussed.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030607
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  • 19
    Electronic Resource
    Electronic Resource
    Configurational and conformational insights on exo- and en do-1, 4:3, 6-dianhydroglucitol mononitrate (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 693-701 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A PMR study of the 1,4:3,6-dianhydroglucitol mononitrates allows the easy attribution of the 2-exo- or 5-endo nitrate configuration to each of the isomers. Coupling data obtained in chloroform and in pyridine provide insight into their conformations. The solvent shifts indicate a hydrogen bridged solute-solvent complex in the exo-compound, but a random solvation for the endo-nitrate.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270030608
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  • 20
    Electronic Resource
    Electronic Resource
    Dimers from α-alkoxybenzyl radicals. An NMR study (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 713-720 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: meso and dl Dimers (ArCHOR)2 where R is Me, Et, iPr, tBu, cyclohexyl and 1-adamantyl may readily be differentiated by their NMR spectra; the benzylic protons of the meso isomer always absorb at a slightly higher field than those of the dl isomer in each of the solvents used. Differences in chemical shift are discussed in terms of preferences in conformer distribution. The formation of equal amounts of both dimers from the corresponding radical ArCHOR shows that steric and polar factors are not important in influencing the dimerization. Magnetic non-equivalence due to the presence of asymmetric centres was found in some of the compounds discussed above.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030610
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  • 21
    Electronic Resource
    Electronic Resource
    The accidental equivalence of protons in 3-hydroxy-3-methylbutyrolactone: Solvent and temperature dependence (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 721-723 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The temperature or the nature of the solvent selectively affects the NMR equivalence of the protons at C-2 and C-4 in 1.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030611
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  • 22
    Electronic Resource
    Electronic Resource
    Rotational isomerism - XIIFor part XI, see Ref 1. Rotamer energies and 3JHF and 4JHH couplings in 1-chloro-2-bromo-2-fluoropropane (1) (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 725-732 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The complete analysis of the NMR spectrum of CH2Cl.CFBr.CH3 in CCl4 and acetone is given. The long range 4JHH couplings in this molecule differ considerably and surprisingly are both positive. An analysis of the solvent dependence of the couplings enables the rotamer couplings and energies to be obtained. The rotamer energies and their variation with solvent are in accord with quantitative predictions and results from similar halogenated ethanes. The values of the 4JHH couplings can be rationalised in terms of substituent electronegativity effects.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270030612
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  • 23
    Electronic Resource
    Electronic Resource
    The difference in the barrier heights for internal rotation between amides and thioamidesA comment on the paper by Moriarty et al., Org. Magn. Resonance 3, 201 (1971). (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 733-735 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Evidence is presented which shows, contrary to the opinion expressed by Moriarty et al., that for electronic reasons internal rotation is substantially more hindered in thioamides than in amides.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/mrc.1270030613
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  • 24
    Electronic Resource
    Electronic Resource
    Intensitätsformel für Hyperfeinstrukturlinien bei n aequivalenten Kernen mit beliebigem Spinmoment - I (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 325-330 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: As is well known, the relative intensities of NMR hyperfinestructure-lines (spin-spin-coupling) under the influence of n neighbouring protons (I = ½) are given by the binomial coefficients and Pascal's triangle. For n equivalent neighbouring nuclei with I 〉 ½ a simple equation for the evaluation of intensities is not known. On the other hand the determination of the high values out of the possible arrangements of the spins is very circumstantial.Arranging the values in n lines, one obtains a kind of ‘Pascal's triangles of higher order’, which show the following qualities: (a) They are symmetric, (b) The sum of the values in the nth line is always (2I + 1)n, (c) Each value in one of the triangles is calculable as the sum of r values of the preceding line. Thereby it is r = 2I + 1.For the evaluation of the vth value in the nth line of any one of the triangles a recursion-formula is given.Furthermore it is shown, that a direct evaluation, without the knowledge of the values in the preceding line, is also possible up to any high values of n and I by the equation: \documentclass{article}\pagestyle{empty}\begin{document}$$ x_r (n,\,v) = \sum\limits_{k = 0}^a {(- 1)^k} \left({\begin{array}{*{20}c} n \\ k \\\end{array}} \right)\left({\begin{array}{*{20}c} {n + r - kr - 2} \\ {n - 1} \\\end{array}} \right) $$\end{document} Thereby a is the greatest whole positive number ≦(v - 1)/r and ≦n.With the assumption, that the spin-spin-coupling J is small compared to the chemical shift Δv*, the intensity ratios of the lines can be calculated by the given equation in a simple way as is shown by some examples.
    Notes: Die relativen Intensitäten der kernmagnetischen Hyperfeinstrukturlinien sind bei n aequivalenten, benachbarten Protonen (I = ½) bekanntlich durch die Binomialkoeffizienten und das Pascalsche Dreieck gegeben. Bei n aequivalenten, benachbarten Kernen mit I 〉 ½ ist eine einfache Berechnungsformel für die relativen Intensitäten nicht bekannt, andrerseits ist die Ermittlung der sehr großen Zahlen aus den Anordnungsmöglichkeiten der Spins sehr umständlich.Ordnet man die Zahlen wiederum in n Reihen an, so erhält man ‘Pascalsche Dreiecke höherer Ordnung’. Sie sing (a) symmetrisch, (b) Die Summe der Zahlen der n-ten Reihe ist stets (2I + 1)n und (c) Es ergibt sich jede Zahl in irgendeinem der Dreiecke als Summe der r darüberstehenden Zahlen, wobei r = 2I + 1 ist.Für die Berechung der v-ten Zahl in der n-ten Reihe eines beliebigen Dreiecks höherer Ordnung wird eine Rekursionsformel angegeben.Weitergehend wird gezeigt, daß auch eine direkte Berechnung, ohne Kenntnis der Zahlen der voraufgehenden Reihe, bei beliebig hohen Werten von n und I aus der Beziehung: \documentclass{article}\pagestyle{empty}\begin{document}$$ x_r (n,\,v) = \sum\limits_{k = 0}^a {(- 1)^k} \left({\begin{array}{*{20}c} n \\ k \\\end{array}} \right)\left({\begin{array}{*{20}c} {n + r - kr - 2} \\ {n - 1} \\\end{array}} \right) $$\end{document} möglich ist. Darin ist a die größte ganze, psotive Zahl ≦(v - 1)/r und ≦n.Unter der Voraussetzung, daß die Hyperfeinstruktur-Aufspaltung J klein gegenüber der chemischen Verschiebungsdifferenz Δν* ist, lassen sich die relativen Intensitäten der Hyperfeinstrukturlinien aus der Formel in sehr einfacher Weise berechnen, wie an einigen Beispielen gezeigt wird.
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    The fluorine magnetic resonance spectrum of poly(vinyl fluoride)Contribution No. 1777 from the Central Research Department. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 373-377 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High resolution fluorine magnetic resonance spectra have been obtained for poly(vinyl fluoride) at elevated temperature. Proton noise-decoupling and time-averaging techniques have given new tacticity and sequence information.
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    URL: http://dx.doi.org/10.1002/mrc.1270030315
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    Chemical polarization of nuclei. PMR spectra of decomposition products of dimethyl peroxydiphthalate (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 379-381 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chemical polarization of protons was observed in methyl benzoate formed during the thermal decomposition of dimethyl ester of peroxydiphthalic acid. The polarization pattern of methyl benzoate aromatic protons was very different in this case from that observed during the thermal decomposition of acetyl benzoyl peroxide. The unpolarized products formed from the methoxy radical, CH2O and CH3OH, were found in the mixture of decomposition products of this peroxide and were identified by means of PMR spectroscopy.
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    Structure des Complexes de Meisenheimer Complexes de Courte Duree de Vie et Complexes Stables Formes par Action des Ions Méthoxydes sur les Dinitro-4,6 Anisoles X-2 Substitues (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 361-372 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The NMR study of the reaction of methoxide ions on several substituted 2-X-4,6-dinitroanisoles (X = F, Cl, CF3, CN) permitted the identification of various Meisenheimer complexes formed by the attack of CH3O- ions on the non-substituted 5- and 3-carbons. The shortlived 1,5- and 1,3-complexes undergo a fast conversion to the stable 1,1-complexes.The chemical shifts of anisoles and complexes are dependent on electronic and steric effects of the X-substituent. The influence of the negative charge held by the ring and the geometrical changes of the skeleton are shown by a comparison between the NMR parameters of anisoles and the corresponding complexes.When X = F, a study of the relative signs of the coupling constants shows that 3J(F—H) and 5J(F—H) are of opposite signs for the anisole and the 1,1-complex.
    Notes: L'étude RMN de l'interaction des ions CH3O- avec les dinitro-4,6 anisoles X-2 substitués (X = CN, CF3, Cl, F) a permis d'identifier divers complexes de Meisenheimer résultant de l'attaque des ions CH3O- sur les carbones -5 et -3 non substitués. Ces complexes -1,5 et -1,3, dont la durée de vie est très courte, se transforment rapidement au profit des complexes stables -1,1. Les déplacements chimiques des anisoles et des différents complexes reflètent les effets électroniques et stériques des substituants X. L'influence de la charge négative portée par le cycle et les modifications géométriques du squelette sont mises en évidence en comparant les paramètres RMN des anisoles et des complexes correspondants. Lorsque X = F, l'étude des signes des constantes de couplage montre que 3J(F—H) et 5J(F—H) sont de signes contraires dans l'anisole et dans le complexe -1,1.
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    Distortion analysis of severely flattened rings (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 389-403 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The NMR spectra of the nonaromatic protons in several benzo-substituted five- and six-membered rings have been analyzed at 60- and 90-MHz. The vicinal coupling constants from the—CH2—CH2—fragments give a quantitative assessment of the degree of ring flattening. The distortions are discussed in terms of the structural components of the molecules.
    Additional Material: 8 Ill.
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    NMR parameters of sulphur heterocycles: Solvent and concentration effects for thiophen and related systems (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 405-416 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Infinite dilution data for six sulphur heterocycles have been obtained from second order analyses of their NMR spectra in CS2, CDCl3, CD3COCD3, or C6D6. Use of LAOCOON3 leads to accurate chemical shifts, but substantial errors remain in some of the coupling constants. Evidence is presented of specific association of chloroform with the sulphur heterocycles and of the interaction of acetone with the sulphur atom. An apparently anomalous geometry for the complex of benzene with thiophen and with other solutes is discussed. Dilution effects are considered in relation to the formation of solute dimers.
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    URL: http://dx.doi.org/10.1002/mrc.1270030404
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    Conformational studies on pyranoid sugar derivatives by NMR spectroscopy. Correlations of observed proton - proton coupling constants with the generalized Karplus equationFor previous papers in this series, see refs. 1 to 5 and references cited therein. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 417-427 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton spin-spin coupling values measured for a wide range of tetrasubstituted tetrahydropyran ring-systems obtained from aldopentopyranose sugars have been correlated with values calculated from a generalized version of the Karplus equation which takes into account the electronegativities of the various atoms in the molecule and the configurations of these substituents. Minor discrepancies between observed and calculated values can be attributed to slight flattening of the tetrahydropyran ring as a result of steric interactions of the substituents. The magnitude of the geminal coupling J5e,5a of these aldopentopyranose derivatives provides a rough measure of the conformational population; when H-4 is axial [Cl(D) or 1C(L) conformation] J5e,5a is ∼10.9 Hz, and is ∼13.4 Hz when H-4 is equatorial [1C(D) or Cl(L) conformation].
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    The NMR spectra of some 1,3-oxathians and the influence of heteroatoms on the coupling constants of adjacent protons (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 37-43 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The preparation of 4-phenyl-1, 3-oxathian, 6-methyl-1, 3-oxathian, and some of their 2-substituted derivatives is described. Significant features of their NMR spectra are discussed with particular reference to the influence of the heteroatoms on the coupling constants of adjacent protons.
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    URL: http://dx.doi.org/10.1002/mrc.1270030106
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    Isomérie Polyédrique dans des Spirophosphoranes Possédant le Groupement P—H (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 45-74 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: We have studied the temperature dependence of NMR spectra of six spirophosphoranes of the general formula: Experimental data show intramolecular isomerism which was explained by pseudo-rotation mechanism (Berry, Lit. 1).In all cases except one we also observed tautomerism between spirophosphorane and phosphite forms.
    Notes: Nous avons étudié la variation, en fonction de la température, des spectres de RMN de six spirophosphoranes des types: Les résultats expérimentaux indiquent l'existence d'une isomérie intramoléculaire que nous avons interprétée en adoptant le mécanisme de pseudo-rotation proposé par Berry.1Dans tous les cas, sauf un, le déplacement de l'équilibre tautomère spirophosphorane ⇌ phosphite s'ajoute an phénomène d'isomérie observé.
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    URL: http://dx.doi.org/10.1002/mrc.1270030107
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    A systematic approach to the AA′BB′, AA′BB′MX and derived systems in nuclear magnetic resonance (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 83-99 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The AA′BB′ and AA′BB′MX nuclear magnetic resonance spin systems for I = ½ nuclei have been analysed. Expressions for the transition frequencies and intensities have been obtained which have the maximum accuracy consistent with practicable use. The analyses have been applied respectively to a hypothetical AA′BB′ nuclear spin system and to the two molecules para- fluoro-phenyldichlorophosphine and tris-para-fluorophenylphosphine. Inconsistencies in earlier treatments of the AA′BB′ system have been clarified.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/mrc.1270030109
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    Long-range proton-proton interactions through epoxidesThis paper is Part IV of the series ‘Analysis by Nuclear Magnetic Resonance’. For Part III, see ref. 1. (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 193-200 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Double and triple nuclear magnetic resonance experiments performed at 100 MHz demonstrate the existence of long range 1H - 1H couplings through epoxides. In a series of epoxycontaining sesquiterpenoids, interactions between protons separated by up to six sigma bonds were detected. These interactions may have origins similar to the well-known allylic and homoallylic couplings found in carbon-carbon double bonded compounds, although they are much smaller in the epoxy systems. We propose to name them as ‘epoallylic’ and ‘epohomoallylic’ interactions. Some couplings are observed directly, whereas in other cases only an improvement in resolution is seen during multiple irradiation experiments. Even in these latter cases the areas of the observed peak do not change upon multiple irradiation which demonstrates the absence of nuclear Overhauser effects. The stereochemistry of some asymmetric centers of the compounds studied is deduced from the spectra.
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    URL: http://dx.doi.org/10.1002/mrc.1270030205
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    Solvent effects in nuclear magnetic resonance spectra of some pyrazines, pyrimidines and their N-oxides (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 217-220 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The benzene-induced solvent effects upon the proton chemical shifts of various pyrazines, pyrimidines and their N-oxides are described. Larger chemical shift effects, implying closer benzeneheterocycle association, are noted in the N-oxides as compared to the non-oxidized heterocycles.The solvent-induced chemical shift changes can be used to establish the site of N-oxidation in those instances where different isomers can be formed.
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    URL: http://dx.doi.org/10.1002/mrc.1270030207
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    The NMR-spectrum of benzaldehyde partially oriented in the nematic phase (1971)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 3 (1971), S. 243-248 
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    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The NMR spectrum of benzaldehyde oriented in the nematic phase of a mixture of p-(p-ethoxyphenylazo)phenylheptanoate and p-(p-ethoxyphenylazo)phenylundecylenate is analysed. It is demonstrated that the data are inconsistent with models in which the aldehyde group freely rotates or has minimum energy when it is perpendicular to the ring plane. The barrier height to rotation, however, cannot be obtained, nor is it possible to discriminate between the two possible solutions in which the averaging planar forms do or do not reorient in the liquid crystal between successive internal rotations.
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    URL: http://dx.doi.org/10.1002/mrc.1270030209
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    Chemical ionization mass spectrometry of complex molecules - VI:For Part V see Ref. 1. Peptides (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 19-31 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The chemical ionization mass spectra of a series of simple peptides containing six or fewer amino acids have been studied. Using methane as the reactant gas we found cleavage of the peptide bond occurs in two ways, yielding either the acyl carbonium ion or the complementary ammonium ion. The observation of both types of fragments permits the determination of the amino acid sequence of the peptide. The ammonium ions provide an additional sequence determining route compared to that available from electron-impact spectra. ‘Sequence-determing ions,’ especially the quasimolecular ion at m/e [M+1] are usually more intense than in the electron-impact mass spectra.
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    URL: http://dx.doi.org/10.1002/oms.1210050104
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    The mass spectra of N-acyliminopyridinium and isoquinolinium betaines (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 61-71 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectral fragmentation behaviour of N-acyliminopyridinium and isoquinolinium betaines has been investigated. Major fragmentations of the pyridinium betaines can be rationalized in terms of charge localization on the pyridinium nitrogen. The most prominent process is α-cleavage followed by loss of NCO to furnish a pyridine ion. The electron-impact induced fragmentation of N-benzoyliminopyridinium betaine (I) was compared with that of thermolysis. The completely analogous behaviour has been observed in the corresponding isoquinolinium betaines.
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    A novel fragmentation of substituted 1,2-diphenyl-ethanes induced by electron bombardment (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 95-97 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050113
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    1,4 elimination of C6H6 in the mass spectral fragmentation of 1-phenyltetralin (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 99-101 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050114
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    Studies on the syntheses of azole derivatives - V:For Part IV, see Ref. 1. The mass spectra of 1,2,4-triazoles and oxadiazoles (studies on the syntheses of heterocyclic compounds - CCCLXXIVFor Part CCCLXXIII, see Ref. 2.) (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 117-122 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electron-impact induced fragmentation of twenty 3-alkyl-1-phenyl-Δ2-1,2,4-triazolin-5-ones, three 1-phenyl-1,2,4-triazolin-3,5-diones and ten 2-alkyl-4-phenyloxadiazolin-5-ones has been studied by conventional mass spectrometry. The major cleavages take place in the 1-phenyl-Δ2-1,2,4-triazolin-5-one nucleus, producing three major fragment ions. 4-Phenyloxadiazolin-5-ones exhibit a similar fragmentation pattern to 1-phenyl-Δ2-1,2,4-triazolin-5-ones. Furthermore, several additional fragmentation processes are observed in the case of specific 1,2,4-triasolines.
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    Mass spectra of some furanosesquiterpenesCommunication No. 1304 from National Chemical Laboratory, Poona-8, India. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 187-195 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some of the fragmentation modes operating in a few furanosesquiterpenes have been established from accurate mass measurements and metastable data.
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    Mass spectrometry in structural and stereochemical problems - CCFor part CXCIX, SEE G. G. Smith and C. Djerassi, Org. Mass Spectrom submitted for publication. A study of the fragmentation processes of some pyrilium salts (1971)
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    Biological Mass Spectrometry 5 (1971), S. 87-93 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The principal mode of fragmentation, at both 70 and 15 eV, of pyrilium iodides (I to V) which are substituted by at least one methyl group is the elimination of hydrogen iodide from the non-detectable molecular ion. In contrast the mass spectrum (Fig. 6) of 2,4,6-triphenyl pyrilium iodide (VI) shows its dominant fragmentation to be due to the loss of an iodine atom from the molecular ion. The mass spectra (for example Figs. 6 and 7) of 2,4,6-triphenyl pyrilium iodide, bromide and tetrafluoroborate (VI, VII and VIII) are virtually identical except for the peaks corresponding to a molecule of iodine (m/e 254), hydrogen iodide (m/e 128) and iodine (m/e 127) in the mass spectrum (Fig. 6) of the iodide. Other fragmentation routes common to these pyrilium salts are described.
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    Masthead (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050201
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    Calculation of mass spectra of some organic compounds undergoing two consecutive reactions from the molecular ions (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 135-146 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecular ions of phenyl benzoate, methyl benzoate, t-butylbenzene, phthalic anhydride, p-dimethoxybenzene, o-dimethoxybenzene and acetophenone each undergo two consecutive reactions ([M]+.→[A]+→[B]+). These unimolecular reactions are treated within the framework of the quasi-equilibrium theory (QET); a simple modification of the original equation relating the rate constant (k) with the internal energy (E) was used to calculate mass spectra of the above compounds from 12 to 20 eV. Good agreement between calculated and observed spectra is obtained.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050205
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    Alcaloïdes stëroïdiques - cxiAlcaloides steroidiques-CX, F.Khuong-Huu et D. Herlem, Tetrahedron Letters 3649 (1970) Influence D'un Groupement Hydroxyle sur la Fragmentation D'amines, Amides et Imines Stéroïdiques en Spectrométrie de Masse (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 171-186 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The presence of a hydroxyl group in steroidal amines, amides and imines, may profoundly influence their fragmentation in the mass spectrometer. This fragmentation is initiated by the rearrangement of the hydroxylic hydrogen on the nitrogen containing groups and products ions characteristic of the OH site in the molecule. Sometimes this may occur even when the two groups are situated at remote positions.
    Notes: La prtsénce d'un groupement hydroxyle dans les molécules de certaines amines, amides et imines stéroídiques joue un grand rôe dans la fragmentation de celles-ci en spectrométrie de masse. Cette fragmentation est initiée par le transfert, parfois à longue distance, de l'hydrogéne hydroxylique sur les groupements azotés et donne naissance à des ions caractéristiques de la place de l'hydroxyle.
    Additional Material: 17 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050208
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  • 47
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    Correlation of structure and fragmentation modes of costunolide and its derivativesCommunication No. 1492 from National Chemical Laboratory, Poona-8, India. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 197-202 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mass spectral studies on costunolide and lactones derived therefrom, have revealed some general fragmentation modes involving the losses of 44, 55, 57, 59, 71, 73 and 83 mass units from the molecular ion. The probable genesis of these ions is established by high resolution, metastable transitions and deuterium labelling studies. Comparison has been made with the mass spectra of some C6- desoxy esters.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050210
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  • 48
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    Plant-polyphenols and related compounds. A mass-spectrometric study of the trimethylsilyl derivatives of hydroxy- and/or methoxy-substituted cinnamic acids and of their methyl esters (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 203-219 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The low resolution 70 eV mass spectra of the TMS (Trimethylsilyl) derivatives of eight naturally occurring hydroxy- and/or methoxycinnamic acids are presented in detail. The TMS derivatives studied are I, of o-coumaric acid; II, of m-coumaric acid; III, of p-coumaric acid; IV, of isoferulic acid; V, of ferulic acid; VI, of 3,4-dimethoxycinnamic acid; VII, of sinapic acid; VIII, of caffeic acid; Ia to Va, VIIa, of the corresponding methyl esters; and VIa, methyl 3,4-dimethoxycinnamate.The derivatives studied show a high degree of stability under conditions of electron-impact. The major fragmentation processes for the free acid TMS derivatives begin with methyl radical loss from either the ester or ring TMS group. The spectra of the methyl ester TMS derivatives have enabled the site of initial methyl loss to be determined. Accurate mass measurements and analysis of the second field-free region metastable peaks provide support for suggested fragmentation schemes. The spectra are sufficiently different to permit identification except between compounds IV and V (and IVa and Va) where the major fragmentation process involves a common ion, thought to be the silicon analogue of an acetonide.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050211
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    Mass spectral fragmentation studies in monomeric and dimeric coumarinsFinancial support from the Natinal Research Council of Canada is gratefully acknowledged. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 249-263 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A study on the behavior of a large number of monomeric and dimeric coumarins in the mass spectrometer is reported and discussed. The results illustrate that the observed characteristic fragmentation patterns are of considerable utility in the application of mass spectrometry to structure elucidation in this series.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050303
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  • 50
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    The behaviour of perchloro-3,4-dimethylenecyclobutene,-pentafulvene and- pentafulv-alene under electron-impactSee Ref. 1. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 289-295 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of 1,2-dichloro-3,4-bis(dichloromethylene)cyclobutene (IV) and of hexachloropentafulvene (II) have been studied. Compound IV cannot be an intermediate in the formation of II from octachloro-1,2-dimethylenecyclobutane (III) under electron-impact, as previously suggested. In the mass spectra of II and IV the species [C6]+ and [C5]+ occur, obviously through cleavage of the semicyclic C-C bond.The mass spectrum of pentachlorofulvalene (VI) shows strikingly that successive elimination of an even number of CI atoms is preferred over that of an odd number of CI atoms; probably corresponding C-CI bonds in the two rings are broken simultaneously. Amongst the fragments, the species [C10]+ and [C7]+ and possibly also [C8]+ and [C9]+ have been observed.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050306
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  • 51
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    A study of the fragmentation of caprolactam and its methyl derivatives under electron-impact (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 651-662 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A study of the low and high-resolution mass spectra of caprolactam (I), 1-methylcaprolactam (II), 3-methylcaprolactam (III), 4-methylcaprolactam (IV), 5-methylcaprolactam (V), 6-methylcaprolactam (VI), 7-methylcaprolactam (VII) and deuterium labelled compounds has facilitated the proposal of some principal fragmentation mechanisms of ionized molecules of these compounds.The base peaks in the spectra of all compounds studied (except 3-methylcaprolactam) are the ions m/e 30 and m/e 44 respectively formed through the cleavage of the C6-C7 bond and the C2-N bond with simultaneous transfer of a hydrogen atom.It has been proved that the fragmentation of molecular ions leading to ions with the structure of cyclopentanone 2-methylcyclopentanone and 3-methylcyclopentanone respectively (according to the position of methyl group) is the general feature of the fragmentation of caprolactam and its methyl derivatives.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050604
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    Etude de steroides fluores par spectrometrie de masse - III: Spectres de masse de quelques cetones fluorees (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 713-724 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A series of 24 fluorinated steroidal ketones was studied by mass spectrometry. The different locations of the keto group or fluorine atom, permitted of fragmentation patterns to be derived.
    Notes: Une série de 24 cétones stéroïdes fluorées a été étudiée enspectrométrie de masse. Les différentes positions de la fonction cétone et de l'atome de fluor ont permis de mettre en évidence des fragmentations intéressantes.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050610
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    Mass spectrometry of pyridine compounds - II:For Part I, see Ref. 1. Hydrogen exchange in the molecular ions of isonicotinic - and nicotinic acid as a function of internal energy (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 735-742 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: From the mass spectra of site-specifically deuterated analogues of isonicotinic acid it appears that the molecular ion eliminates hydroxyl and water after an exchange between the hydroxylic and β-hydrogens. The percentage of exchange in these reactions depends on the internal energy of the molecular ion and is shown to be 53 to 57% in the ion source, 92 to 97% in the first and ∽ 100% in the second field free regions.Furthermore, the isotope effect i, operative in the loss of water, increases with decreasing internal energy of the molecular ion, being 1.6, 2.0 and 2.3 in the ion source, first- and second field free regions, respectively.In the molecular ions, losing successively hydroxyl and carbon monoxide as deduced from diffuse peaks in the first-and second field free regions, a substantially lower percentage of exchange (ca. 20%) is found, which is due to the higher internal energy of these molecular ions.In the molecular ion of nicotinic acid only one of the ortho hydrogens (α) is involved in the exchange of hydrogen. The percentage of exchange for loss of hydroxyl in the ion source is 66%. Molecular ions, which successively eliminate hydroxyl and carbon monoxide, show a 45% exchange of hydrogen as calculated from diffuse peaks in the first- and second field free regions.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050612
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    2-(1-Azulyl)ethyl tosylate methylene scrambling in the gas phase. Similarities to solution chemistryPaper III in the series Nonbenzenoid Aromatic Systems; for paper II see ref. 1. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 785-788 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The methylene groups in 2-(1-azulyl)ethyl tosylate are largely scrambled prior to formation of fragment ions in the mass spectrometer. This process also occurs in the 3-nitro analog, where it is dependent on sample residence time in the source and independent of electron energy. It could not be observed with the isomeric 6-substituted tosylates, the 1-substituted acetates or alcohols, or with 2-(p-anisyl)ethyl tosylate. Scrambling occurs in the neutral molecule prior to ionization and a mechanism involving absorption onto the metal surface and formation of a complexed ethylenazulonium ion is suggested.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050704
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    Massenspektrometrie und ihre anwendun auf strukturelle und stereochemische Probleme - CCVI:Teli CCV, G. G. Smith und C. Djerassi, Org. Mass Spectrom. 5, 487 (1971). Beobachtungen bei der Fragmentierung Olefinischer Kohlenwasserstoffe (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 817-831 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The molecular ions generated by electron-impact from olefins of the general structure I, II and III fragment mainly via the McLafferty rearrangement. Even under mild ionization conditions, however, they undergo isomerization before fragmentation takes place.The origin and mode of formation of an ion generated simultaneously by decay of the molecular ion and the McLafferty ion were investigated by means of 13C- and D-labelling.The influence of branching at the γ-, ω-, or ∊-positions of the double bond in type I-olefins was studied.
    Notes: Bei Olefinen der allgemeinen Struktur I, II und III erleidet das unter Elektronenbeschuss erzeugte Molekülion neben der als Hauptreaktion ablaufenden McLafferty-Umlagerung auch bei milden Anregungsbedingungen eine vor der Fragmentierung eintretende Isomerisierung.Es wurde versucht, Herkunft und Entstehungsweg eines sowohl beim Abbau des Molekülions als auch des McLafferty-Ions gebildeten gemeinsamen Bruchstückes mit Hilfe von 13C- und D-Markierung zu klären.Der Einfluss einer Verzweigungstelle in γ-, ω- oder ∊-Position zur Doppelbindung bei Olefinen vom Typ I auf deren Verhalten im Massenspektrometer wurde untersucht.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050707
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    Potentiel d'ionisation, courbes d'efficacite d'ionisation differentielle, localisation de la charge de 9 cyclopropanes (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 845-850 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Ionization potentials and fine structure in ionization efficiency curves have been determined for nine cyano-1 diphenyl-1,2 cyclopropanes. It is shown that derivatives which include dimethylamino group have the lowest ionization potential, the first break of the fine structure and Hammett constants. For compounds containing the nitro substituent we have a constant value of the first break after the ionization potential, which shows the primary role of the nitro group in the excited state of the molecular ions.
    Notes: Rües potentiels d'ionisation, les courbes d'efficacité d'ionisation différentielle ont été déterminées par la méthode EDDEDD: Energy Difference Distribution (voir R. E. Winters).6 pour 9 cyano-1 diphényl-l,2 cyclopropanes. II est montrk que les composés comprenant le groupement diméthylamino possedent les potentiels d'ionisation les plus bas. Pour ces cornposés, on peut établir une corrélation qualitative entre le potentiel d'ionisation, la première cassure dans la courbe d'efficacité d'ionisation différentielle et la constante de Hammett. Pour les composés comprenant le groupement nitro, la valeur constante de la première cassure au dessus du potentiel d'ionisation nous permet de penser que ce substituant a un rǒe primordial dans l'état excité des ions moléculaires.
    Additional Material: 4 Ill.
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    Pyrolysis of some perfluoroalkylene-linked aromatic imides (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 851-855 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The pyrolysis of perfluoroalkylene-linked polyimides in an inert atmosphere has been studied using a pyrolysis-gas chromatographic-mass spectrometric method. The major primary gaseous degradation products were carbon monoxide and carbon dioxide. In addition large amounts of silicon tetrafluoride were produced by secondary reactions.Results obtained with 1,3-di-(3-phthalimidophenyl)hexafluo0ropropane and bis[N-phenyl-1,3-dioxo-isoindolyl(5,5′)]hexafluoropropane suggest that the perfluoroalkylene groups have a greater influence on the electron-impact induced fragmentation of the imide ring than on its thermal breakdown.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050711
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    Collection de fragments organiques a l'aide d'un separateur d'isotopes (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 891-892 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: An isotope seperator has been modified so that work can be carried out on organic compounds. Analysis of the collector by mass spectrometry showed a weighable deposit of organic fragments.
    Notes: Après modification, nous avons pu déposer une quantité pondérable de matière organique sur le collecteur d'un séparateur d'isotopes.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050716
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    Studies in organic mass spectrometry - IV:For part III see Ref. 1. N-iminopyridinium betaines (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 935-938 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of N-iminopyridinium betaines, which have been generated within the ion source by pyrolysis of the corresponding hydrochlorides, have been compared with those of pyridine N-oxides.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050804
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    The structure of the product ion of a ‘McLafferty’ rearrangement (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 967-975 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of alkylphenylketones has been examined. Whenever the alkyl chain is three or more carbon atoms long, the well-known McLafferty rearrangement occurs with elimination of the elements of a neutral olefin. The further fragmentation of the ion formed in this rearrangement reaction has been studied using the technique of ion kinetic energy (IKE) spectroscopy. The measured release of kinetic energy has been used to show that the rearrangement ion has an enolic type structure.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050809
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    Feldionen-Massenspektren von Kohlenhydraten (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 983-991 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Mass analysis of mono- and oligosaccharides was carried out by the field ionization (FI) method. Unsubstituted monosaccharides exhibit an intense peak at [M + 1]+ in the FI spectra, but are not so suited to structural analysis because of their thermal instability. Permethylation is the most suitable method of obtaining good FI mass spectra of oligosaccharides. Permethylated disaccharides which are linked via C-1 - C-4 or C-1 - C-6, respectively, exhibited characteristic differences in the fragment ion intensities. It is not possible, however, to derive all of the different modes of linkage from the FI mass spectrum of permethylated raffinose. The field desorption method is more suitable for further studies of thermally instable compounds than the method of sample evaporation from an oven with subsequent field ionization.
    Notes: Mit Hilfe der Feldionisation wurde die Massenanalyse von Mono- und Oligosacchariden durchgeführt. Die FI-SpektrenFI wird als Abkürzung für Feldionisation und ES für Elektronenstoß-Ionisation benutzt.unsubstituierter Monosaccharide zeigtren zwar alle einen intensiven Peak auf der MZ [M + 1], eignen sich aber wegen der thermischen Labilität nur schlecht für Strukturanalysen. Im Hinblick auf Oligosaccharide ist eine Permethylierung für die Aufnahme von FI-Massenspektren vorteilhaft. Permethylierte Disaccharide, die über C-1 - C-4 bzw. über C-1 - C-6 verknüpft sind, zeigten charakteristische Unterschiede in den Fragment-Ionenintensitäten. Dagegen lassen sich aus dem FI-Spektrum der permethylierten Raffinose nicht alle Verknüpfungsarten entnehmen. Für zukünftige Untersuchungen thermisch labiler Substanzen eignet sich die Felddesorptionsmethode besser als die Methode der Probenverdampfung aus einem Ofen mit anschließender Feldionisation.
    Additional Material: 5 Ill.
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    Introduction to Molecular Spectroscopy, E. F. H. Brittain, W. O. George and C. H. J. Wells. Academic Press, London and New York, 1970, pp. 387 + ix. £6.00 (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1027-1027 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050818
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    Mass spectra of β-quinuclidones and β-benzquinuclidones (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1029-1041 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of quinuclidone-3, benzquinuclidone-3, 2-azaquinuclidone-3, 2-azabenzquinuclidone-3 and some of their functional substituted derivatives have been investigated. Fragmentation of the compounds investigated has been shown to proceed through the open form of the molecular ion with cleavage of a bridgehead bond containing the carbonyl group and subsequent elimination of carbon monoxide.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050902
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    Rearrangements in the electron-impact induced fragmentation of some β-aroyl-α-methylpropionic acids (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1081-1084 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A complex rearrangement on electron-impact for β-aroyl-α-methylpropionic acids, involving both hydrogen and hydroxy migration followed by loss of carbon monoxide and allyl radical, is described and discussed. The rearrangement process, resulting in an ion [ArCOOH2]+, is favoured by electron-withdrawing substituents in the aromatic ring.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050907
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    Preference factors and isotope effects in the loss of H. (D.) and HCN (DCN) from deuterated pyrazoles upon electron-impact (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1101-1105 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of deuterated pyrazoles show that loss of H. and of HCN from the molecular ion occurs with a very high specificity from the 3(5)-position. For the two processes isotope effects and preference factors have been determined. Metastable ion decompositions involving the loss of HCN from the [M - H] -fragment indicate that the identity of the hydrogen atoms in this fragment is lost to a large extent.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050910
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    Ring expansion reactions in aromatic systems. A study of steric strain in some n,n'-dimethyl-1,1′-binaphthyls (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1123-1125 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050914
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    Masthead (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971) 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210051001
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    Studies in mass spectrometry - XVI.For Part XV, See Ref. 1. The striking difference between the mass spectra of stereoisomeric cyclic anhydrides (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1345-1346 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Elimination of CO gives rise to prominent peaks in the mass spectra of cis-1,2,3,6-tetrahydrophthalic anhydride (Ia) and its 4,5-dimethyl analogue which are almost absent in the corresponding trans-isomers. The striking difference in the fragmentation of the isomers shows that practically no rearrangement in the molecular ion occurs prior to this fragmentation. In this case a high degree of stereospecificity is observed, although hydrogen migration is apparently not involved in the process.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210051113
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  • 69
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    The mass spectra of isomeric hydrocarbons - I: Norbornene and nortricyclene; The mechanisms and energetics of their fragmentations (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1349-1362 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of norbornene, nortricyclene and deuterium labeled derivatives thereof have been studied. The appearance potentials of the ions [C7H10]+·, [C7H9]+, [C6H7]+ and [C5H6]+· have been determined for both compounds and heats of formation of the hydrocarbons have been estimated. Detailed fragmentation schemes are proposed for the molecular ions and it is concluded that they dissociate by essentially different mechanisms which do not involve common intermediates. The structures and energy contents of the primary fragment ions are discussed in detail by comparing energetics, labeling experiments and metastable ion abundances.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210051202
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    The mass spectrum of tropylium fluoroborate (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 83-85 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectrum of tropylium fluoroborate (C7H7+BF4-) shows a base peak corresponding to the cationic portion of the salt (m/e91) and intense peaks occur at m/e 109 (C7H6F+) and m/e 110 (C7H7F+.). The latter peaks are probably of thermal origin. A similar rearrangement is observed in trityl fluoroborate (C19H15+BF4-) and may be a general feature of the mass spectra of aromatic fluoroborates.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050111
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  • 71
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    Addendum (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. i 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050116
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  • 72
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    Mass spectrometry of isoxazole derivatives - III:For PartII, see Ref. 1. Skeletal rearrangement ions in the mass spectra of isoxazoles having a heteroatom at C5 (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 123-134 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two skeletal rearrangements of the type[ABC]+.→[AC]+. + B previously found in the mass spectra of 5-alkoxyisoxazoles are also seen for 5-amino- and 5-alkylmercapto-isoxazoles. They are discussed in terms of formation of an azirine ion and its ring expansion to an odd electron ion having a five-membered ring by means of bond formation involving nitrogen or sulphur. Fragmentation via an oxazole radical ion, which has a photochemical analogy, is also discussed.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050204
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  • 73
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    Electron-impact promoted fragmentation of alkyl-N-(1-phenylethyl)-carbamates of primary, secondary and tertiary alcohols (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 157-169 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of twenty N-alkyl-(1-phenylethyl)-carbamates derived from primary, secondary and tertiary alcohols have been investigated using deuterium labeling and high resolution mass spectrometry. These derivatives are suitable for the determination of the isotopic purity of primary and secondary, but not of tertiary alcohols. Several of the primary and secondary alcohol derivatives yield an ion formally equivalent to the product ion of a McLafferty rearrangement. Deuterium labeling established, however, that the usual site specificity associated with the McLafferty rearrangement process was lacking in these carbamate derivatives. In addition a double hydrogen rearrangement process was observed in the mass spectra of several of the carbamates derived from tertiary alcohols.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050207
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  • 74
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    The elucidation of the primary structure of the hypothalamic thyroid stimulating hormone releasing factor of ovine origin by means of mass spectrometry (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 221-228 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper illustrates the role that mass spectrometry played in the first elucidation of the primary structure of a hypothalamic releasing factor. It has been demonstrated that ovine TRF has the structure 2-pyrrolidone-5-carboxylyl-histidyl-proline amide.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050212
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  • 75
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    Masthead (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971) 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050301
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  • 76
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    Studies on the mass spectra of 6-methylthiopurine and its C-and N-methyl derivatives (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 279-287 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 6-Methylthiopurines which bear a 9-NH- or a 9-NCH3-group (class A) form an [M - 1]-ion with much higher abundance than do the 1-, 3-, or 7-methyl derivatives (class B). The higher stability of the [M - 1]-ion in class A may be explained by ring closure to N-7.Methyl radicals are cleaved from N-, but not from S- or C-methyl groups, with the exception of the 7-methyl derivative, in which the S-CH3-group can also split off a methyl radical. The methylthio group may lose all of the following fragments: S, SH, SCH, SCH2 and SCH3. In the remaining purine skeleton, in general first the pyrimidine and subsequently the imidazole ring breaks down with elimination of HCN.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050305
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  • 77
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    ‘Doubly charged ion’ mass spectra of some simple aromatic compounds (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 303-310 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Benzene, toluene, phenol, diphenyl ether and the three isomeric dihydroxy-benzenes have been examined using an MS-9 mass spectrometer under conditions that allowed only ions having twice the normal amount of kinetic energy to be detected. These ions are, in fact, singly charged ions arising from charge exchange reactions of doubly charged ions of the same mass, occuring in the first field free region of the Spectrometer. It is argued that the spectra obtained yield essentially the distribution of doubly charged ions in the source region. These ‘doubly charged ion’ mass spectra are compared with the normal singly charged ion spectra of the compounds and the implications of the significant differences that are found, are discussed.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050308
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  • 78
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    Spectres de masse de phosphonates diméthyliques dérivés du norbornane, du norbornéne et du nortricyclaneBicyclo[2.2.1]heptylphosphonates diméthyliques - IV. Pour la partie III voir réf. 9. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 343-351 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The mass spectra of dimethyl phosphonates (I to X) derived from norbornane, norbornene and nortricyclene have been studied. The fragmentation of endo and exo isomers is quite similar (only the peak intensities vary a little) except for the saturated compounds I and II where the orientation of the P(O)(OCH3)2 group seems to exert an influence. The spectra of the norbornene derivatives III and IV and of the isomeric nortricyclic compound IX are quite different. The fragmentation pattern of all phosphonates I to X is dominated by the localisation of the charge on the phosphorus moiety.
    Notes: Les spectres de rnasse de phosphonates diméthyliques (I à X) dérivés du norbornane, du norbornène et du nortricyclane ont été étudiés. La fragmentation des isoméres endo et exo est trés comparable (seules les intensités des pics varient légèrement) sauf pour les dérivés saturés I et II où l'orientation du groupe P(O)(OCH3)2 inhence les coupures. Les spectres des dérivés du norbornène III et IV et du composé nortricyclique isomère IX sont très différents. La fragmentation des phosphonates I à X est dominée par la localisation de la charge sur le fragment phosphoré.
    Additional Material: 3 Ill.
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    Forthcoming events (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 363-364 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050317
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  • 80
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    Electron-impact induced hydrogen scrambling in cyclohexanol and methylcyclohexanols (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 383-388 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Exact mass measurements and the mass spectral behavior of O-deuterated cyclohexanols, coupled with a re-evaluation of previously published data1,2, show that the hydrogen attached to oxygen undergoes partial scrambling with the 2, 3, 5 and 6 position ring hydrogens prior to or during the formation of the major primary fragment ions.
    Additional Material: 3 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050404
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  • 81
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    Nitrogen elimination in the mass spectra of diphenyl and triphenyl-v-triazoles (1971)
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    Biological Mass Spectrometry 5 (1971), S. 427-436 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of seven v-triazoles (I to VII), having two or three phenyl substituents in 1, 4 and 5 positions, are described. Differences in the rate of nitrogen elimination from themolecular ions of I to III and IV to V are explained by the statement that this reaction requires a higher energy of activation for the transition state in IV to V than in I to III. At high electron voltages the relative intensities of fragment ions and metastable ions are very similar in the mass spectra of 1,4,5 triphenyl-v-triazole (I) and the ketenimine (VIII). Differences in the low electron voltage spectra of I and VIII, and energy measurements, however, show that probably an azirine ion IX is involved in the formation of the [M-N2]+ ion from I. It is shown that production of the rearrangement ion m/e 165 (C13H9) isa high energy process.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/oms.1210050408
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    Mass spectrometric behavior of trimethylsilyl derivatives of isomeric diamino-, dihydroxy- and aminohydroxynaphthalenes (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 473-480 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectrometric behavior of the di-TMSi derivatives of diamino-,dihydroxy-and aminohydroxynaphthalenes is described. The presence or lack of doubly-charged ions in the mass spectra is correlated with substituent position. Comparison is made with the spectra of the disubstituted benzenes. Other fragmentations are discussed with supporting data from TMSi-d9 derivatized compounds.
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    Mass spectrometry in structural and stereochemical problems - CCV:For preceding paper see R. A. Corral, O. O. Orazi A. M. Duffield and C. Derasso, Org. Mass Spectrom. submitted for publication. The mass spectra of trimethylsilyl ethers of phenols and the importance of neighboring group participation in fragmentation (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 487-489 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/oms.1210050416
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    Forthcoming events (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 491-492 
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    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050417
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    Acetylenic derivatives of metal carbonyls of the triad Fe, Ru, Os - XIPart X, E. Sappa, G. Cetini, O. Gambino and M. Valle, J. Organometal. Chem. 20, 201 (1969). Mass spectra of some binuclear complexes (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 493-503 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of the following acetylenic derivatives of iron, ruthenium and osmium carbonyls are reported: the iron compounds Fe2(CO)6[C2(C6H5)s2]2, Fe2(CO)6[C2(CH3)2]2 and Fe2(CO)6[C2(C2H5)2]2, the ruthenium compounds Ru2(CO)6[C2(C6H5)2]2, and Ru2(CO)6[C2(CH3)2]2 and the osmium compounds Os2(CO)6[C2(C6H5)2]2, Os2(CO)6[C2HC6H5]2 and Os2(CO)6[C2(CH3)2]2. Iron compounds exhibit breakdown schemes where binuclear, mononuclear and hydrocarbon ions are present. On the other hand, ruthenium and osmium compounds fragment in a similar way and give rise to singly and doubly charged binuclear ions. Phenylic derivatives of ruthenium and osmium also give weak triply charged ions. The results are discussed in terms of relative strengths of the metal-metal and metal-carbon bonds.
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    Mass spectrometry in structural and stereochemical problems - CCIV.For part CCIII, see ref. la. Spectra of hydantoins II.For part I, see ref. 1b. Electron impact induced fragmentation of some substituted hydantoins (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 551-563 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectral decomposition modes of hydantoin and derivatives containing alkyl and phenyl substituents have been investigated using isotopic labeling techniques. The loss of carbon monoxide from the molecular ions of these compounds was shown to preferentially involve the C-4 carbonyl group. Other fragmentation processes characteristic of the hydantoin ring system and the effect on this of alkyl and phenyl substitution are described.
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    The mass spectrum of 1:12, 2:3, 4:5, 6:7, 8:9, 10:11-hexabenzocoronene (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 619-621 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass-spectra of 1:12, 2:3, 4:5, 6:7, 8:9, 10:11-hexabenzocoronene and the isomer 1:2, 3:4, 5:6, 7:8, 9:10, 11:12-hexabenzocoronene have been examined. The former is typically that of an aromatic conjugated hydrocarbon and is sparse, the latter is more intense. It is conjectured that the former may be found in interstellar space.
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    The characteristics of oxime ethers upon electron-impact (1971)
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    Biological Mass Spectrometry 5 (1971), S. 687-696 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The O-methyl ethers of aromatic and aliphatic aldoximes and ketoximes are characterized by hydrogen and skeletal rearrangements involving four-membered cyclic transition states. In the aliphatic compounds, four-centered rearrangement sometimes yields the species with the higher ionization potential, in contradiction of Audier's rule. The n-propyl oxime ethers show a novel skeletal rearrangement involving CH2O elimination. The [M - H]+ process in the aromatic aldoxime ethers and an [M - Cl]+ process in an o-chloro derivative involve atom elimination by intramolecular aromatic substitution. Aromatic aldoxime ethers and the isomeric nitrones behave completely differently upon electron-impact.
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    Evidence for one bromine participation in the expulsion of the other from 1,2-dibrominated compounds (1971)
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    Biological Mass Spectrometry 5 (1971), S. 705-711 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Analysing the stereoisomeric effect on mass spectra for three pairs of geometric isomers (meso and racemic 2,3 dibromobutanes, cis and trans 1,2 dibromocyclohexanes and cis and trans dibromocyclopentanes) it is suggested that the [M - Br] ion formation is facilitated by participation of the other bromine, this participation being maximum when the two halogens are trans or diaxial. The particular bromine character and the analogy with solution chemistry are emphasized.
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    URL: http://dx.doi.org/10.1002/oms.1210050609
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    A mass spectrometric study of 4-hydroxy-6-methyl-2-pyridone and its derivatives (1971)
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    Biological Mass Spectrometry 5 (1971), S. 743-750 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of 4-hydroxy-6-methyl-2-pyridone, its N-methyl and N-phenyl derivatives, and also their 4-O-acetyl and 3-C-acyl derivatives have been studied. The proposed fragmentation pathways were supported by comparison of the mass spectra and in some cases by the spectra of deutero analogues. A strong N-phenyl group effect has been found, which in the case of N-phenyl-4-hydroxy- and N-phenyl-4-acetoxy-6-methyl-2-pyridones promotes the formation of the stable [M - H]+ and [M - CH3CO]+ ions respectively. These ions are not characteristic of the N - H and N - Me analogues.
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    URL: http://dx.doi.org/10.1002/oms.1210050613
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    The fragmentation of aliphatic ketones in the mass spectrometer: A detailed study of nonan-4-one using ion kinetic energy spectroscopyThis work constitutes paper CCI in the Standford Series ‘Mass Spectrometry in Structural and Stereochemical Problems.’ For preceding paper, see A. M. Duffield, C. Djerassi, and A. T. Balaban, Org. Mass Spectrom. 5, 87 (1971). (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 917-933 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ion kinetic energy (IKE) spectra of nonan-4-one, 7,7-d2-nonan-4-one and 1,1,1-d3-nonan-4-one have been recorded and interpreted. The various fragmentations observed in the IKE spectra have been confirmed and some new fragmentations found by carrying out high voltage scans with the magnetic field set successively to collect ions at each mass to charge ratio throughout the mass spectrum. Several new fragmentation modes have been discovered, and their significance is discussed.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050803
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  • 92
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    Negative ion mass spectra of various fluorine containing molecules (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 953-957 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Negative ion mass spectra are reported for the compounds (CF3CO)2O, (C2F5CO)2O, (C3F7CO)2O, C3F7C(F)(CF3)2, n-C6F14, CF3COCL, (CF3)2CO, BF3, N2F4 and SiF4.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050807
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  • 93
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    Spectrometrie de masse de biphenyles 0,0'-pontes - II (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1015-1017 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The mass spectrometric study of three types of bridged biphenyls shows that these substances follow similar fragmentations in their electron-impact induced cracking patterns. Nevertheless, intensity variations suggest that the bridge elements influence the kinetics of some step by step mechanisms.
    Notes: L'étude par spectrométrie de masse de trois types de biphényles montre que ces produits se dégradent de façon similaire. Néanmoins, des variations d'intensité suggèrent que la nature du pont influence les cinétiques de plusieurs mécanismes en cascade.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050814
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  • 94
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    Mass spectral fragmentation patterns of isomeric s-Triazolo[4,3-a]pyridines and s-triazolo[1,5-a]pyridinesSee Ref. 1. (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 1-13 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The major decomposition pathway involved in the fragmentation of derivatives of the title ring systems was the loss of RCN from the five-membered ring, except when this ring had a 3-amino,3-hydroxyl or 3-mercapto substituent. In these cases, the exocyclic substituent and at least one nitrogen atom from the five-membered ring were lost.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050102
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  • 95
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    Studies in mass spectrometry - XV:For Part XIV, see Ref. 1. Retro-diels-alder fragmentation and double hydrogen migration in some polycyclic diketones (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 53-59 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In contrast to adducts I of bi-1-cycloalken-1-yls and p-benzoquinone, their reduction products II do not exhibit a double hydrogen migration from δ positions accompanying a ‘retro-Diels-Alder’ type fragmentation. An ordinary retro-Diels-Alder fragmentation was found to take place, with charge retention in the diene portion of the molecule. A double hydrogen migration has been detected in II leading to m/e 112 ion c2, which differed, however, from that in I in charge retention and in the origin of the migrating hydrogen atoms. Adducts III of di-1-cycloalken-1-yls and naphthoquinone behave similarly to II. They exhibit relatively low abundance ions a, however, due to a double hydrogen migration from δ positions, similarly to I. The origin of the migrating hydrogen atoms have been determined by deuterium labelling. Mechanistic suggestions are presented to explain the observed facts.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050107
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  • 96
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    A new mass spectrometric classification of alkylbenzenes (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 79-81 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A classification of alkylbenzenes is proposed based on the relative intensities of pairs of ions, of which one is formed from the other by loss of a hydrogen molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050110
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  • 97
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    Forthcoming events (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 103-104 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050115
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  • 98
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    The mass spectra of eleven derivatives of cyanocyclopropane (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 105-115 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Studies of the mass spectrum of 1,2-diphenyl 1-cyclopropane show that a large number of fragmentations and rearrangements take place during the electron-impact of this compound. The mechanisms involved were identical to those found in the studies previously made on the cyclopropanes. Other patterns of fragmentations and rearrangements will also be shown, resulting from the presence of the cyano and substituted diphenyl groups linked on the propanic ring. The nature of the para substituent is fundamental to the aspect of the mass spectra.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050202
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  • 99
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    The mass spectra of 2-aryl-4-arylidene-oxazol-5-ones, and the related thiazol-5-ones and imidazol-5-ones (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 615-618 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Examination of the mass spectra of a series of substituted oxazol-5-ones and other related heterocycles showed no evidence of electron-impact induced isomerism. The electron-impact fragmentations of these compounds were characterized by a single dominant fragmentation process.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050512
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  • 100
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    Mass spectral rearrangements in benzylidene hippuric esters (1971)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1971), S. 625-632 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of a series of hippuric esters have been determined. A variety of novel rearrangements induced by the presence of a formed benzyl carbonium ion has been rationalized with the aid of high resolution measurements and isotopic and substituent labeling. An eight centered rearrangement is proposed for the observed transfer of oxygen from a nitro group to a double bond.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210050602
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