The Experts below are selected from a list of 18 Experts worldwide ranked by ideXlab platform
Silvi A Chacko - One of the best experts on this subject based on the ideXlab platform.
-
on the inter instrument and the inter laboratory transferability of a tandem mass spectral reference library 3 focus on ion trap and upfront cid
Journal of Mass Spectrometry, 2012Co-Authors: Herbert Oberacher, Florian Pitterl, Eleni Siapi, Barry R Steele, T Letzel, S Grosse, Bernhard C Poschner, Franco Tagliaro, Rossella Gottardo, Silvi A ChackoAbstract:Mass spectral libraries represent versatile tools for the identification of small bioorganic molecules. Libraries based on electron impact spectra are rated robust and transferable. Tandem mass spectral libraries are often considered to work properly only on the instrument that has been used to build the library. An exception from that rule is the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’. In various studies with data sets from different kinds of tandem mass spectrometric instruments, the outstanding sensitivity and robustness of this tandem mass spectral library search approach was demonstrated. The instrumental platforms tested, however, mainly included various tandem-in-space instruments. Herein, the results of a multicenter study with a focus on upfront and tandem-in-time fragmentation are presented. Five laboratories participated and provided fragment ion mass spectra from the following types of mass spectrometers: time-of-flight (TOF), quadrupole–hexapole–TOF, linear ion trap (LIT), 3-D ion trap and LIT–Orbitrap. A total number of 1231 fragment ion mass spectra were collected from 20 test compounds (amiloride, buphenin, cinchocaine, cyclizine, desipramine, dihydroergotamine, dyxirazine, dosulepin, ergotamine, ethambutol, etofylline, mefruside, metoclopramide, phenazone, phentermine, phenytoin, sulfamethoxazole, sulfamoxole, sulthiame and tetracycline) on seven electrospray ionization instruments using 18 different instrumental configurations for fragmentation. For 1222 spectra (99.3%), the correct compound was retrieved as the best matching compound. Classified matches (matches with ‘relative average match probability’ >40.0) were obtained for 1207 spectra (98.1%). This high percentage of correct identifications clearly supports the hypothesis that the tandem mass spectral library approach tested is a robust and universal identification tool. Copyright © 2012 John Wiley & Sons, Ltd.
Herbert Oberacher - One of the best experts on this subject based on the ideXlab platform.
-
on the inter instrument and the inter laboratory transferability of a tandem mass spectral reference library 3 focus on ion trap and upfront cid
Journal of Mass Spectrometry, 2012Co-Authors: Herbert Oberacher, Florian Pitterl, Eleni Siapi, Barry R Steele, T Letzel, S Grosse, Bernhard C Poschner, Franco Tagliaro, Rossella Gottardo, Silvi A ChackoAbstract:Mass spectral libraries represent versatile tools for the identification of small bioorganic molecules. Libraries based on electron impact spectra are rated robust and transferable. Tandem mass spectral libraries are often considered to work properly only on the instrument that has been used to build the library. An exception from that rule is the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’. In various studies with data sets from different kinds of tandem mass spectrometric instruments, the outstanding sensitivity and robustness of this tandem mass spectral library search approach was demonstrated. The instrumental platforms tested, however, mainly included various tandem-in-space instruments. Herein, the results of a multicenter study with a focus on upfront and tandem-in-time fragmentation are presented. Five laboratories participated and provided fragment ion mass spectra from the following types of mass spectrometers: time-of-flight (TOF), quadrupole–hexapole–TOF, linear ion trap (LIT), 3-D ion trap and LIT–Orbitrap. A total number of 1231 fragment ion mass spectra were collected from 20 test compounds (amiloride, buphenin, cinchocaine, cyclizine, desipramine, dihydroergotamine, dyxirazine, dosulepin, ergotamine, ethambutol, etofylline, mefruside, metoclopramide, phenazone, phentermine, phenytoin, sulfamethoxazole, sulfamoxole, sulthiame and tetracycline) on seven electrospray ionization instruments using 18 different instrumental configurations for fragmentation. For 1222 spectra (99.3%), the correct compound was retrieved as the best matching compound. Classified matches (matches with ‘relative average match probability’ >40.0) were obtained for 1207 spectra (98.1%). This high percentage of correct identifications clearly supports the hypothesis that the tandem mass spectral library approach tested is a robust and universal identification tool. Copyright © 2012 John Wiley & Sons, Ltd.
P. R. Sowbna - One of the best experts on this subject based on the ideXlab platform.
-
selectivity engineering in synthesis of 4 benzyloxy propiophenone using liquid liquid liquid phase transfer catalysis
Industrial & Engineering Chemistry Research, 2012Co-Authors: Ganapati D. Yadav, P. R. SowbnaAbstract:4-Benzyloxy propiophenone is an important active pharmaceutical intermediate (API) used in the production of drugs such as Ifenprodil (N-methyl-d-aspartate receptor antagonist) and Buphenine (or nylidrin, a sympathomimetic and beta-adrenergic agonist). The synthesis of this molecule involves cumbersome and highly polluting routes. In the current work, synthesis of 4-benzyloxy propiophenone was achieved by reacting benzyl chloride with 4-hydroxy propiophenone and sodium hydroxide in liquid–liquid–liquid (L-L-L) phase-transfer catalysis (PTC) with tetra butyl ammonium bromide (TBAB) as the catalyst. The novelty of the L-L-L PTC over L-L PTC is that the catalyst forms a separate phase and can be separated easily and reused several times. L-L-L PTC intensifies the rates of reaction and is 100% selective toward 4-benzyloxy propiophenone. Thus, the goal of green chemistry—waste minimization—was achieved. The effects of various parameters on the rate of reaction were studied. A mechanistic model was proposed to ...
Eleni Siapi - One of the best experts on this subject based on the ideXlab platform.
-
on the inter instrument and the inter laboratory transferability of a tandem mass spectral reference library 3 focus on ion trap and upfront cid
Journal of Mass Spectrometry, 2012Co-Authors: Herbert Oberacher, Florian Pitterl, Eleni Siapi, Barry R Steele, T Letzel, S Grosse, Bernhard C Poschner, Franco Tagliaro, Rossella Gottardo, Silvi A ChackoAbstract:Mass spectral libraries represent versatile tools for the identification of small bioorganic molecules. Libraries based on electron impact spectra are rated robust and transferable. Tandem mass spectral libraries are often considered to work properly only on the instrument that has been used to build the library. An exception from that rule is the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’. In various studies with data sets from different kinds of tandem mass spectrometric instruments, the outstanding sensitivity and robustness of this tandem mass spectral library search approach was demonstrated. The instrumental platforms tested, however, mainly included various tandem-in-space instruments. Herein, the results of a multicenter study with a focus on upfront and tandem-in-time fragmentation are presented. Five laboratories participated and provided fragment ion mass spectra from the following types of mass spectrometers: time-of-flight (TOF), quadrupole–hexapole–TOF, linear ion trap (LIT), 3-D ion trap and LIT–Orbitrap. A total number of 1231 fragment ion mass spectra were collected from 20 test compounds (amiloride, buphenin, cinchocaine, cyclizine, desipramine, dihydroergotamine, dyxirazine, dosulepin, ergotamine, ethambutol, etofylline, mefruside, metoclopramide, phenazone, phentermine, phenytoin, sulfamethoxazole, sulfamoxole, sulthiame and tetracycline) on seven electrospray ionization instruments using 18 different instrumental configurations for fragmentation. For 1222 spectra (99.3%), the correct compound was retrieved as the best matching compound. Classified matches (matches with ‘relative average match probability’ >40.0) were obtained for 1207 spectra (98.1%). This high percentage of correct identifications clearly supports the hypothesis that the tandem mass spectral library approach tested is a robust and universal identification tool. Copyright © 2012 John Wiley & Sons, Ltd.
Rossella Gottardo - One of the best experts on this subject based on the ideXlab platform.
-
on the inter instrument and the inter laboratory transferability of a tandem mass spectral reference library 3 focus on ion trap and upfront cid
Journal of Mass Spectrometry, 2012Co-Authors: Herbert Oberacher, Florian Pitterl, Eleni Siapi, Barry R Steele, T Letzel, S Grosse, Bernhard C Poschner, Franco Tagliaro, Rossella Gottardo, Silvi A ChackoAbstract:Mass spectral libraries represent versatile tools for the identification of small bioorganic molecules. Libraries based on electron impact spectra are rated robust and transferable. Tandem mass spectral libraries are often considered to work properly only on the instrument that has been used to build the library. An exception from that rule is the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’. In various studies with data sets from different kinds of tandem mass spectrometric instruments, the outstanding sensitivity and robustness of this tandem mass spectral library search approach was demonstrated. The instrumental platforms tested, however, mainly included various tandem-in-space instruments. Herein, the results of a multicenter study with a focus on upfront and tandem-in-time fragmentation are presented. Five laboratories participated and provided fragment ion mass spectra from the following types of mass spectrometers: time-of-flight (TOF), quadrupole–hexapole–TOF, linear ion trap (LIT), 3-D ion trap and LIT–Orbitrap. A total number of 1231 fragment ion mass spectra were collected from 20 test compounds (amiloride, buphenin, cinchocaine, cyclizine, desipramine, dihydroergotamine, dyxirazine, dosulepin, ergotamine, ethambutol, etofylline, mefruside, metoclopramide, phenazone, phentermine, phenytoin, sulfamethoxazole, sulfamoxole, sulthiame and tetracycline) on seven electrospray ionization instruments using 18 different instrumental configurations for fragmentation. For 1222 spectra (99.3%), the correct compound was retrieved as the best matching compound. Classified matches (matches with ‘relative average match probability’ >40.0) were obtained for 1207 spectra (98.1%). This high percentage of correct identifications clearly supports the hypothesis that the tandem mass spectral library approach tested is a robust and universal identification tool. Copyright © 2012 John Wiley & Sons, Ltd.
