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Journal articles on the topic 'Mass-spectral fragmentation'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Barker, James, Michael Jones, and Melvyn Kilner. "Amidine mass spectral fragmentation patterns." Organic Mass Spectrometry 20, no. 10 (1985): 619–23. http://dx.doi.org/10.1002/oms.1210201006.

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2

Raczy?ska, E. D., P. C. Maria, J. F. Gal, and M. Decouzon. "Mass spectral fragmentation of simple benzamidines." Journal of Mass Spectrometry 35, no. 10 (2000): 1222–25. http://dx.doi.org/10.1002/1096-9888(200010)35:10<1222::aid-jms49>3.0.co;2-q.

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3

Knerr, Gary, John I. Mckenna, David A. Quincy, and N. R. Natale. "The mass spectral fragmentation of isoxazolyldihydropyridines." Journal of Heterocyclic Chemistry 24, no. 5 (1987): 1429–33. http://dx.doi.org/10.1002/jhet.5570240541.

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4

Lai, Zijuan, and Oliver Fiehn. "Mass spectral fragmentation of trimethylsilylated small molecules." Mass Spectrometry Reviews 37, no. 3 (2016): 245–57. http://dx.doi.org/10.1002/mas.21518.

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5

Dyall, Leonard K. "Mass spectral fragmentation of benzofurazan-1-oxide." Organic Mass Spectrometry 22, no. 8 (1987): 519–22. http://dx.doi.org/10.1002/oms.1210220808.

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6

Zheng, Weiyi, Evan Rogers, Michael Coburn, Jimmie Oxley, and James Smith. "Mass Spectral Fragmentation Pathways in 1,3,3-Trinitroazetidine." Journal of Mass Spectrometry 32, no. 5 (1997): 525–32. http://dx.doi.org/10.1002/(sici)1096-9888(199705)32:5<525::aid-jms505>3.0.co;2-7.

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7

Raczyńska, Ewa D., and Zongling Che. "Mass spectral fragmentation of tautomerizingN,N′-diarylbenzamidines." Journal of Mass Spectrometry 34, no. 9 (1999): 978–81. http://dx.doi.org/10.1002/(sici)1096-9888(199909)34:9<978::aid-jms857>3.0.co;2-b.

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8

Silberstein, J., and R. D. Levine. "A quantitative theory of mass spectral fragmentation patterns." Journal of the American Chemical Society 107, no. 26 (1985): 8283–84. http://dx.doi.org/10.1021/ja00312a090.

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9

Shanmugasundaram, K., and K. Rajendra Prasad. "Mass spectral fragmentation pattern of oxygen heterocyclic guanidines." European Journal of Mass Spectrometry 3, no. 1 (1997): 225. http://dx.doi.org/10.1255/ejms.15.

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10

Erra-Balsells, R. "Mass spectral fragmentation patterns of 2,3-poly-methylenenitroindoles." Organic Mass Spectrometry 24, no. 10 (1989): 956–58. http://dx.doi.org/10.1002/oms.1210241019.

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11

Decouzon, M., J. F. Gal, P. C. Maria, and E. D. Raczyńska. "Mass spectral fragmentation ofN1,N1-dimethyl-n2 - alkylformamidines." Organic Mass Spectrometry 26, no. 12 (1991): 1127–30. http://dx.doi.org/10.1002/oms.1210261220.

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12

RACZYŃSKA, E. D., M. DECOUZON, J. F. GAL, P. C. MARIA, and R. W. TAFT. "Mass spectral fragmentation ofN1,N1-dimethyl-N2-azinylformamidines." Journal of Mass Spectrometry 33, no. 10 (1998): 1029–31. http://dx.doi.org/10.1002/(sici)1096-9888(1998100)33:10<1029::aid-jms729>3.0.co;2-w.

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13

Hutchins, Paul D., Jason D. Russell, and Joshua J. Coon. "Mapping Lipid Fragmentation for Tailored Mass Spectral Libraries." Journal of The American Society for Mass Spectrometry 30, no. 4 (2019): 659–68. http://dx.doi.org/10.1007/s13361-018-02125-y.

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14

A., NAGARAJAN, and KRISHNA PILLAY M. "Electron-impact Mass Spectral Fragmentation Patterns of lsoxazolines." Journal of Indian Chemical Society Vol. 70, Feb 1993 (1993): 134–37. https://doi.org/10.5281/zenodo.5910713.

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Department of Chemistry, Bharathidasan University, Tiruchirapalli-620 024 <em>Manuscript received 12 February 1992, revised 30 October 1992, accepted 2 December 1992</em> Electron-impact mass spectra of 32 isoxazolines, viz. monocyclic, bicyclic and tricyclic isoxazolines are reported. The major fragmmtation pattern for the isoxazolines with alkyl, aryl, methoxycarbonyl, (methylthio)methyl substituents at C·5 is \(\alpha\)-cleavage while there is a competition between the groups at C-5 for elimination in the case of 5,5-disubstituted isoxazolines. Bicyclic and tricyclic isoxazolines und

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15

Labaziewicz, Henryk, Kenryk Labaziewicz, Robert E. Kohrman, and Bob A. Howell. "Mass Spectral Fragmentation Patterns of 3,6-Dihydro-1,2-oxazines." HETEROCYCLES 31, no. 6 (1990): 1021. http://dx.doi.org/10.3987/com-89-5278.

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16

Ho, Tse-Lok. "Conformational Dependence of Mass Spectral Fragmentation of Pinane Derivatives." Bulletin of the Chemical Society of Japan 61, no. 11 (1988): 4127–31. http://dx.doi.org/10.1246/bcsj.61.4127.

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17

Yinon, Jehuda, Daniel Fraisse, Ian J. Dagley, and Chava Lifshitz. "Mass spectral fragmentation patterns of deuterated hexanitrobibenzyl and hexanitrostilbene." Rapid Communications in Mass Spectrometry 5, no. 4 (1991): 164–68. http://dx.doi.org/10.1002/rcm.1290050406.

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18

Cortés, Eduardo, Benjamín Ortiz, Rubén Sánchez-Obregón, Fernando Walls, and Francisco Yuste. "The Mass Spectral Fragmentation of Perezone and Related Compounds." Rapid Communications in Mass Spectrometry 11, no. 8 (1997): 904–6. http://dx.doi.org/10.1002/(sici)1097-0231(199705)11:8<904::aid-rcm930>3.0.co;2-2.

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19

Mahajan, R. K., Neelam Gupta, and Satinder K. Uppal. "Mass spectral studies of aromatic aza analogues of juvabione." Collection of Czechoslovak Chemical Communications 51, no. 12 (1986): 2879–83. http://dx.doi.org/10.1135/cccc19862879.

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20

Ashish, Kumar Tewari, Mishra Anil, and S. Bhakuni D. "Mass spectral studies of 6-substituted-2-methylthio-9-tetrahydrofuranylpurine nucleoside analogues." Journal of Indian Chemical Society Vol. 76, Apr 1999 (1999): 222–24. https://doi.org/10.5281/zenodo.5848512.

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Department of Chemistry, Lucknow University, Lucknow-226 007, India Medicinal Chemistry Division, Central Drug Research Institute, Lucknow-226 001, India <em>Manuscript received 5 August 1998, accepted 18 November 1998</em> The mass fragmentation studies of eight compounds of the series 6-substituted-2-methylthio-9-tetrahydrofuranylpurine (1-8) have been carried out. Two types of fragmentation pattern is observed depending on the amino function. The details are reported as model of purine deoxy nucleosides.

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21

Palit, Meehir, Ritesh Mathur, and Syed K. Raza. "Isotope Dilution Mass Spectral Studies on Capsaicin Analogues." European Journal of Mass Spectrometry 8, no. 4 (2002): 323–28. http://dx.doi.org/10.1255/ejms.506.

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A series of capsaicin analogues have been synthesised as probable tear gas compounds. These compounds were subjected to mass spectral studies under electron ionization (EI) for their total identification. The fragmentation patterns observed in ortho- and para-substituted compounds have been substantiated by performing isotope dilution experiments and daughter-ion scans using tandem mass spectrometry.

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22

Palouš, Jan, Richard Wünsch, and Soňa Ehlerová. "Mass Spectrum of a Starburst." Symposium - International Astronomical Union 217 (2004): 318–23. http://dx.doi.org/10.1017/s0074180900197839.

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The fragmentation of supershells and filaments driven by a superwind in a starburst region produces clumps with a mass spectrum approximated by a power law. Its spectral index is close to −2.3. We present results of computer simulations using the thin shell approximation, which are compared to 3D hydrodynamical simulations with self-gravity using the ZEUS computer code. In a low density medium the fragmentation time-scale is comparable to the collisional time-scale, and consequently collisions change the mass spectra of fragments to less steep values. In high density environments collisional t

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23

Tada, Ipputa, Hiroshi Tsugawa, Isabel Meister, et al. "Creating a Reliable Mass Spectral–Retention Time Library for All Ion Fragmentation-Based Metabolomics." Metabolites 9, no. 11 (2019): 251. http://dx.doi.org/10.3390/metabo9110251.

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Accurate metabolite identification remains one of the primary challenges in a metabolomics study. A reliable chemical spectral library increases the confidence in annotation, and the availability of raw and annotated data in public databases facilitates the transfer of Liquid chromatography coupled to mass spectrometry (LC–MS) methods across laboratories. Here, we illustrate how the combination of MS2 spectra, accurate mass, and retention time can improve the confidence of annotation and provide techniques to create a reliable library for all ion fragmentation (AIF) data with a focus on the ch

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24

Jasiewicz, Beata, and Elżbieta Wyrzykiewicz. "Mass Spectrometry of Bis-Quinolizidine Alkaloids: FAB-MS of Oxo-Substituted Sparteines." International Journal of Analytical Chemistry 2011 (2011): 1–5. http://dx.doi.org/10.1155/2011/652589.

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The unpublished in the literature FAB mass spectral fragmentation of seven oxosparteines (i.e., 2-oxosparteine, 15-oxosparteine, 17-oxosparteine, 2,17-dioxosparteine, 2,13-dioxosparteine, 2-oxo-13-hydroxysparteine, and 2-oxo-17-hydroxysparteine) is investigated. Fragmentation pathways, elucidation of which was assisted by FAB/collision-induced dissociation (CID) mass spectra measurements, are discussed. The data obtained create the basis for distinguishing positional isomers.

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25

Aplin, Robin T., and Henri Doucet. "Stereoselectivity in the mass-spectral fragmentation of palladium phosphinamine complexes." Chemical Communications, no. 21 (1997): 2097–98. http://dx.doi.org/10.1039/a705803i.

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26

Zhang, Jun, Jimmie Oxley, James Smith, Clifford Bedford, and Robert Chapman. "Mass spectral fragmentation pathways in cyclic difluoramino and nitro compounds." Journal of Mass Spectrometry 35, no. 7 (2000): 841–52. http://dx.doi.org/10.1002/1096-9888(200007)35:7<841::aid-jms8>3.0.co;2-0.

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27

Rontani, J. F., A. Rabourdin, and C. Aubert. "Electron ionization mass spectral fragmentation of some isoprenoid glycidic ethers." Rapid Communications in Mass Spectrometry 15, no. 22 (2001): 2091–95. http://dx.doi.org/10.1002/rcm.484.

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28

Rodrigues-Fo, Edson, C. J. Mirocha, Weiping Xie, Thomas P. Krick, and J. A. Martinelli. "Electron ionization mass spectral fragmentation of deoxynivalenol and related tricothecenes." Rapid Communications in Mass Spectrometry 16, no. 19 (2002): 1827–35. http://dx.doi.org/10.1002/rcm.796.

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29

Kalyanam, Nagabhushanam, and Swaminathan Sivaram. "A study of the mass spectral fragmentation ofN-t-alkylamides." Organic Mass Spectrometry 22, no. 1 (1987): 43–44. http://dx.doi.org/10.1002/oms.1210220111.

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30

Burinsky, David J., and Scott L. Sides. "Mass spectral fragmentation reactions of angiotensin-converting enzyme (ACE) inhibitors." Journal of the American Society for Mass Spectrometry 15, no. 9 (2004): 1300–1314. http://dx.doi.org/10.1016/j.jasms.2004.05.010.

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31

Yin, Peng, Hongping Chen, Xin Liu, Qinghua Wang, Ying Jiang, and Rong Pan. "Mass Spectral Fragmentation Pathways of Phthalate Esters by Gas Chromatography–Tandem Mass Spectrometry." Analytical Letters 47, no. 9 (2014): 1579–88. http://dx.doi.org/10.1080/00032719.2013.879658.

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32

Bartkowiak, G., E. Wyrzykiewicz, and G. Schroeder. "Gas Chromatography Electron Ionization Mass Spectral Analysis of Thio Analogues of Pyrimidine Bases: 5-Bromo-2,4-di-o-(m- and p-) chloro- (bromo-)benzylthiouracils and 6-methyluracils." International Journal of Spectroscopy 2012 (January 17, 2012): 1–8. http://dx.doi.org/10.1155/2012/847676.

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Electron ionization (EI) mass spectral fragmentation routes of twelve 5-bromo-2,4-di-o-(m- and p-) chloro- (bromo-)benzyl-thiouracils and 6-methyluracils are investigated. The compounds studied are analyzed using gas chromatography/mass spectrometry (GC/MS). Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions, are discussed. Correlation between the abundances of the selected fragment ions of the compounds investigated is discussed. The data obtained make grounds for distinction of structural isomers.

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33

Jasiewicz, Beata, та Elżbieta Wyrzykiewicz. "Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes". European Journal of Mass Spectrometry 15, № 4 (2009): 487–95. http://dx.doi.org/10.1255/ejms.1003.

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The electron ionization (EI) and fast atom bombardment (FAB) mass spectral fragmentations of ten copper(II) dichloride (dibromide, diformate, diacetate and dithiocyanate) complexes of (–)-sparteine and (–)-α-isosparteine were investigated. Fragmentation pathways, elucidation of which was assisted by accurate mass measurements and metastable transitions (EI-MS), as well as FAB/collision-induced dissociation (CID) mass spectral measurements are discussed. The data obtained create the basis for the differentiation of the ligand (sparteine or α-isosparteine) in the investigated complexes. The comp

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34

Yinon, Jehuda. "Mass spectral fragmentation pathways in aminonitrobenzenes. A mass spectrometry/mass spectrometry collision-induced dissociation study." Organic Mass Spectrometry 25, no. 11 (1990): 599–604. http://dx.doi.org/10.1002/oms.1210251107.

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35

Waddell, Walter H., Kimberly A. Benzing, Larry R. Evans, et al. "Laser Mass Spectral Investigations of Rubber Compound Surface Species." Rubber Chemistry and Technology 64, no. 4 (1991): 622–34. http://dx.doi.org/10.5254/1.3538577.

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Abstract Laser desorption mass spectrometry has proven a uniquely useful technique for the direct characterization of rubber-compound surface species. Mass spectra were obtained for intact molecular ions (M+) of organic chemical rubber additives such as the aromatic processing oil, and the aromatic antiozonant and antioxidants incorporated to protect the rubber. Molecular-weight information from the molecular ions and structural information from the fragmentation ions could be obtained without interference from the fragmentation peaks of the rubber backbone. Rubber compounding ingredients were

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36

Beuther, H., J. C. Mottram, A. Ahmadi, et al. "Fragmentation and disk formation during high-mass star formation." Astronomy & Astrophysics 617 (September 2018): A100. http://dx.doi.org/10.1051/0004-6361/201833021.

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Context. High-mass stars form in clusters, but neither the early fragmentation processes nor the detailed physical processes leading to the most massive stars are well understood. Aims. We aim to understand the fragmentation, as well as the disk formation, outflow generation, and chemical processes during high-mass star formation on spatial scales of individual cores. Methods. Using the IRAM Northern Extended Millimeter Array (NOEMA) in combination with the 30 m telescope, we have observed in the IRAM large program CORE the 1.37 mm continuum and spectral line emission at high angular resolutio

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37

Pospieszny, Tomasz, and Elżbieta Wyrzykiewicz. "Differentiation of the Isomeric o-(m- and p-) Nitro-(Chloro- and Bromo-)Benzyl-2,4-(and 2,1-) Disubstituted 2-Thiocytosinium Halides by Electron Impact Ionisation and Fast Atom Bombardment Mass Spectrometry." European Journal of Mass Spectrometry 15, no. 4 (2009): 497–506. http://dx.doi.org/10.1255/ejms.996.

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

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38

R., N. PRASAD, JINDAL MITHLESH, and JAIN MAMTA. "Mass Spectral Studies of Mixed Ligand Complexes of Magnesium(II)." Journal of Indian Chemical Society Vol. 67, Nov 1990 (1990): 874–75. https://doi.org/10.5281/zenodo.6244317.

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Department of Chemistry, University of Rajasthan, Jaipur-302 004 <em>Manuscript received 30 October 1988, revised 16 July 1990, accepted 22  August 1990</em> Mass spectral studies of the mixed ligand complexes of magnesium(II) of the type MgLL (where HL=salicylaldehyde and HL' = 2-hydroxyacetophenone or pentane 2,4 dione) have been carried out and the fragmentation schemes have been suggested.

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39

ISHIMARU, Hirohisa, Yasushi IKARASHI, Yuji MARUYAMA, and Susan T. WEINTRAUB. "Continuous-Flow Fast Atom Bombardment Mass Spectrometry of Acetylcholine: Interpretation of Mass Spectral Fragmentation." Journal of the Mass Spectrometry Society of Japan 43, no. 1 (1995): 19–26. http://dx.doi.org/10.5702/massspec.43.19.

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40

Zhou, Jiarui, Ralf J. M. Weber, J. William Allwood, et al. "HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries." Bioinformatics 30, no. 4 (2013): 581–83. http://dx.doi.org/10.1093/bioinformatics/btt711.

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41

Yinon, J., and S. Bulusu. "Mass spectral fragmentation pathways in nitroadamantanes. A tandem mass spectrometric collisionally induced dissociation study." Organic Mass Spectrometry 21, no. 9 (1986): 529–33. http://dx.doi.org/10.1002/oms.1210210902.

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42

Nair, T. D. Radhakrishnan. "Thermal and mass spectral fragmentation studies of some acid phthalic esters." Thermochimica Acta 182, no. 2 (1991): 337–40. http://dx.doi.org/10.1016/0040-6031(91)80017-d.

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43

Hamdi, Suhaila T. "The mass spectral fragmentation of copper(II) complexes of cyclic ?-diketones." Monatshefte f�r Chemie Chemical Monthly 123, no. 12 (1992): 1081–87. http://dx.doi.org/10.1007/bf00808270.

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44

Rontani, J. F., and C. Aubert. "Electron ionization mass spectral fragmentation of derivatized 4,5- and 5,6-epoxysterols." Rapid Communications in Mass Spectrometry 18, no. 9 (2004): 955–59. http://dx.doi.org/10.1002/rcm.1433.

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45

Alvarez, R. Martínez, A. Herrera Fernández, and T. Morales Abajo. "Mass Spectral Fragmentation Patterns ofN,N′-Alkylidene andN,N′-Arylidene Bisamides." Rapid Communications in Mass Spectrometry 11, no. 1 (1997): 85–88. http://dx.doi.org/10.1002/(sici)1097-0231(19970115)11:1<85::aid-rcm805>3.0.co;2-e.

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46

Yinon, Jehuda, William C. Brumley, George M. Brilis, and Suryanarayana Bulusu. "Mass spectral fragmentation pathways in nitramines. A collision-induced dissociation study." Organic Mass Spectrometry 25, no. 1 (1990): 14–20. http://dx.doi.org/10.1002/oms.1210250105.

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47

B., SHIVARAMA HOLLA, K. SHIVANANDA M., and AKBERALI P.M. "Mass Spectral Fragmentation Patterns of Some Substituted 1,2,4-Triazoles and 1,2,4-Triazolo[3,4-b] 1 ,3,4-thiadiazoles." Journal of Indian Chemical Society Vol. 75, Sep 1998 (1998): 532–33. https://doi.org/10.5281/zenodo.5925904.

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Department of Chemistry, Mangalore University, Mangalagangothri-574 199 Plama Laboratories Ltd., 120 A/B Industrial Area, Baikampady, New Mangalore-575 011 <em>Manuscript received 6 February 1997, revised 12 February 1998, accepted 27 April 1998</em> Several substituted 1,2,4-triazoles (I) have been synthesized and converted into 1,2,4-triazolo[3,4-b]1,3,4-thiadiazoles (3). They have been characterized by ir, nmr and mass spectral studies. The mass spectral fragmentation patterns of the compounds are described.

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48

M., A. QURAISHI, та N. DHAWAN S. "Synthesis and Mass Spectral Studies of Ketimines. Part-I. Fragmentation of some New α-( 1 ,3-Dioxoindan2-yl)ethylidene/ arylideneanilines under Electron Impact". Journal of Indian Chemical Society Vol. 66, June 1989 (1989): 387–89. https://doi.org/10.5281/zenodo.5959588.

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Department of Chemistry, Institute of Technology, Banaras Hindu University, Varanasi-221 005 Department of Chemistry, University of Kurukshetra, Kurukshetra-132 119 <em>Manuscript received 26 October 1988, revised 27 January 1989, accepted 31 March 1989</em> Condensation of 2-acylindan-1,3-diones (1) with anilines afforded the corresponding anils (2a-j) which <em>were </em>characterised by elemental analyses and ir and pmr spectral data. Electron impact mass fragmentation of these anils is <em>reported.</em>

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49

(Miss), ASHA MASOHAN, та KUMAR BHATIA VIRENDRA. "α,β-Cyclopent-[1- amino]-4,5-eno- β-thio(3′-ethyl-4′-propyl-11′, 11′, 12′-trimethyl)tridecanopyrrol. Tentatively identified in Darius Crude". Journal of Indian Chemical Society Vol. 62, Oct 1985 (1985): 763–67. https://doi.org/10.5281/zenodo.6324531.

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Indian Institute of Petroleum, Debra Dun-248 005 <em>Manuscript received 1 August 1983, revised 19 June 1984, accepted 19 September 1985</em> A substituted pyrrole alkyl sulphide has been isolated from the heavy end (300-470°) of Darius crude. The structure of the compound was elucidated, principally, from the mass spectral fragmentation pattern, supplemented by the ir and nmr spectral data.

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50

Panse, Christian, Seema Sharma, Romain Huguet, Dennis Vughs, Jonas Grossmann, and Andrea Mizzi Brunner. "Ultraviolet Photodissociation for Non-Target Screening-Based Identification of Organic Micro-Pollutants in Water Samples." Molecules 25, no. 18 (2020): 4189. http://dx.doi.org/10.3390/molecules25184189.

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Non-target screening (NTS) based on the combination of liquid chromatography coupled to high-resolution mass spectrometry has become the key method to identify organic micro-pollutants (OMPs) in water samples. However, a large number of compounds remains unidentified with current NTS approaches due to poor quality fragmentation spectra generated by suboptimal fragmentation methods. Here, the potential of the alternative fragmentation technique ultraviolet photodissociation (UVPD) to improve identification of OMPs in water samples was investigated. A diverse set of water-relevant OMPs was selec

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