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  • 1
    Electronic Resource
    Electronic Resource
    New methods for computational ion structure evaluation by means of tandem mass spectrometry (1993)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 7 (1993), S. 99-105 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: New methods are presented for the evaluation of ion structures and fragmentation pathways using tandem mass spectrometry (MS/MS) with low energy collision-induced dissociation. As an aid for mass spectroscopists, they incorporate a PC software package (named PDNL, written in Turbo-PASCAL 5.5 (Borland), running under DOS (Microsoft) with mouse-control). A database of almost 300 low energy MS/MS spetra is available for library searches. It utilizes a new, intensity-based matching algorithm fitting to the demand of MS/MS data. Computational methods have been developed for (i) the separation of the spectra of unresolved isobaric ions and evaluation of the ratio of the ion abundances, (ii) the evaluation of single-collision spectra using the multi-collisional data map, and (iii) the elucidation of collision-induced dissociation fragmentation pathways. Principal component analyses of sets of at least eight MS/MS spectra were used for a quick comparison of these spectra and for a summary of inter-ion relationships.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290070121
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  • 2
    Electronic Resource
    Electronic Resource
    Über neue Säuren im ostindischen Sandelholzöl (1990)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1990 (1990), S. 119-121 
    Details
    ISSN: 0170-2041
    Keywords: Sandalwood oil, East Indian ; Terpenoic acids ; Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: New Acids in the East Indian Sandalwood OilThree new terpenoic acids, dihydro-α-norcurcumenic acid (2), α-bergamotenic acid (3), and dihydro-α-santalic acid (4), could be identified by means of GC-MS and GC-FTIR techniques as genuine constituents of the East Indian sandalwood oil. The former postulated γ-santalic acid (1) could not be detected. Also a series of pyrolytic experiments did not lead to its formation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jlac.199019900121
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  • 3
    Electronic Resource
    Electronic Resource
    Electron impact ionization mass spectrometry and tandem mass spectrometry of phenylalkylpyridazinesPyridazines, Part 56; for Part 55, sec Ref. 1. (1991)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 26 (1991), S. 595-600 
    Details
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectrometric fragmentation behaviour of pyridazine and four monosubstituted derivatives containing a pbenylalkyl side-chain (3- and 4-benizylpyridazine, 3- and 4-(2-pbenylethyl)pyridazine) was investigated. In the electron impact ionization mess spectra of the 3-substituted compounds abundant [M - H]+ peaks are observed. This allows a clear distinction between 3- and 4-substituted pyridazines, as the spectra of the latter isomers show only very weak [M - H]+ signals. The stability of [M - H]+ ions derived from 3-alkylpyridazines (deduced from only the very low abundance of further fragment ions) gives strong evidence for a cyclic structure of these ions. One fragmentation pathway typical of the parent pyridazine, the [M - N2] fragmentation, was not detectable with any of the phenylalkylpyridazines investigated. Instead, loss of HCN, H3CN+ and N2H+ was observed. An interesting fragmentation, observed with 3-(2-phenylethyl)pyridazine, is the loss of +CH3 from the molecular ion and also from the [M - H]+ ion.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/oms.1210260611
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  • 4
    Electronic Resource
    Electronic Resource
    Structural characterization of the cyanelle peptidoglycan of Cyanophora paradoxa by 252Cf plasma desorption mass spectrometry and fast atom bombardment/tandem mass spectrometryDedicated to Professor Peter Krenmayr on the occasion of his retirement from the Technical University of Vienna. (1993)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 22 (1993), S. 524-536 
    Details
    ISSN: 1052-9306
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A strategy for the structural characterization of the four major NaBH4-reduced peptidoglycan monomers derived from muramidase-digested peptidoglycan from the cyanelles of the flagellate Cyanophora paradoxa Korschikoff is described. Initial molecular weight determination of these glycopeptides was performed by positive and negative ion plasma desorption mass spectrometry. Due to the presence of two pairs of disaccharide tripeptide and disaccharide tetrapeptide monomers differing in mass by 112 units, respectively, an as yet unknown peptidoglycan modification either at the carbohydrate or at the peptide moiety was assumed. β-Elimination of the disaccharide unit from the unreduced peptidoglycan monomers yielded the corresponding (modified) N1-lactyltripeptides and -tetrapeptides, respectively. These peptides, N-terminally blocked with lactic acid, unambiguously showed the modification to be located on the peptide moiety. By positive ion fast atom bombardment/hybrid tandemmass spectrometry of the reduced peptidoglycan monomers as well as of the corresponding deglycosylated monomers (= N1-lactylpeptides) the modification was determined to be linked to the glutamic acid moiety. Based on combined data from plasma desorption mass spectrometry, tandem mass spectrometry, accurate mass measurement and amino acid analysis of the acid hydrolysate after derivatization with o-phthaldialdehyde by high-performance liquid chromatography we could establish the structure of the modification as N-acetylputrescine. Finally, the confirmation of the linkage of the glutamic acid to diaminopimelic acid via the γ-COOH was based on the presence of a-type peptide backbone fragment ions in the positive ion plasma desorption mass spectra of the modified N1-lactylpeptides.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200220906
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