****************************************************************************** Date: Wed, 05 Jan 2000 08:37:36 -0500 From: "Shu-Qing Liu" Subject: Postdoctoral position sought Organization: * Dear Sir/Madam I am a Ph.D. candidate in the Department of Chemistry, Jilin University, Changchun, P. R.China. I major in inorganic chemistry and analytical chemistry with synthetic background. My research work concentrates the synthesis and characterization of cationic porphyrins and the supramolecular complexes formed by cationic porphyrins and anionic metal-oxo cluster I have synthesized a series of cationic porphyrins with different side chain groups and anions. These porphyrins include H2TMPyP, H2TEPyP, H2TPPyP, H2TBPyP and the related metal porphyrins. In addition, I have successfully obtained the crystal of Na[H2TBPyP]Cl5×2H2O and got its crystal structure. I also studied the properties of supramolecular complexes formed by the cationic porphyrins and anionic metal-oxo clusters. It is found that the supramolecular complexes were excellent electrocatalysts for reducing O2 to H2O by four-electron-transfer pathway, and these supramolecular complexes could be used as potential materials for fuel cells. I have characterized these porphyrins and the supramolecular complexes by UV-visible absorption spectroscopy, FT-IR, 1HNMR, MALDI-TOF mass spectrometry, elemental analysis, cyclic voltammetry, rotating disk voltammetry, rotating ring-disk voltammetry and SHELXL Program for the X-ray solution and refinement of crystal structure. I am expecting to get a Ph.D. degree in June, 2000. If you have a postdoctoral position and are interested in letting me work with you, please let me know. I would be interested to know the title and the outline of your proposed project. If you have no such fellowship, I would appreciate it very much if you could introduce me to someone else who is looking for a young researcher like me and would be interested in hiring me as a postdoctoral fellow. Shu-Qing Liu Department of Chemistry Jilin University 125 Jiefang Road Changchun, 130023, Jilin, P. R. China Tel: +86-0431-8922331 ext. 2462 (Office) Fax: +86-431-8949334 E-mail: sqliu@mail.jlu.edu.cn Permanent Email: lsqsmz@263.net Curriculum Vitae Name: Shu-Qing Liu Date of Birth: 1 Apr. 1972 Place of Birth: Laiwu City, Shandong Province, P. R. China Sex: Female Health: Excellent Address: Department of Chemistry, Jilin University 125 Jiefang Road Changchun, 130023, Jilin, P. R. China Tel: +86-0431-8922331 ext. 2462 (Office) Fax: +86-431-8949334 E-mail: sqliu@mail.jlu.edu.cn Permanent Email: lsqsmz@263.net Education: Sep. 1995-Jun. 2000 Department of Chemistry Jilin University, Changchun, Jilin Province, P. R. China Degree: Ph.D. in Inorganic Chemistry Sep. 1991-Jul. 1995 Department of Chemistry, Liaocheng Normal College, Shandong Province, P. R. China Degree: B.S. in Chemistry Awards: 1. First prize for student in 1992, in Liaocheng Normal College; 2. First prize for student in 1993, in Liaocheng Normal College; 3. First prize for student in 1994, in Liaocheng Normal College; 4. First prize for student in 1995, in Liaocheng Normal College; 5. First prize for high education in 1996, in Jilin University. Work Experience: I major in inorganic chemistry and analytical chemistry with synthetic background. My research interests are mainly concerned with the synthesis and properties of cationic porphyrins, new supramolecular complexes formed by cationic porphyrin and anionic metal-oxo cluster. The synthetic techniques, analytic chemistry, electroanalytical chemistry and structure chemistry are needed in the work. My research interests are listed below: 1. I have synthesized a series of cationic porphyrins H2TMPyP (meso-tetrakis(4-N-methylpyidyl)porphyrin), H2TEPyP (meso-tetrakis(4-N-ethylpyidyl)porphyrin), H2TPPyP (meso-tetrakis(4-N-propylpyidyl) porphyrin), H2TBPyP(meso-tetrakis(4-N-benthylpyidyl) porphyrin), and their related metal porphyrins. 2. I have studied the behaviors of the series of synthetic cationic porphyrins by MALDI-TOF mass spectrometry. I found that the matrices used could affect the ion formation of the ionic porphyrins. And the space volumes of the side chain groups and the nature anions of the cationic porphyrins could affect the relative abundance and the formation of monomeric and dimeric ions of the porphyrins. The ionization and desorption mechanism of ionic porphyrins were different from those of non-ionic porphyrins. 3. I have successfully obtained the crystal of Na[H2TBPyP]Cl5×2H2O which was suitable for X-ray diffraction studies. I am familiar with the SHELXL Program for the solution and refinement of crystal structure. 4. I have also studied the porphyrin supramolecular systems in aqueous and organic solution formed by the cationic porphyrins and anionic metal-oxo clusters by UV-visible absorption spectrometry, fluorescence spectroscopy, cyclic voltammetry, rotating disk voltammetry and rotating ring-disk voltammetry. 5. I have found that the supramolecular complexes formed by cationic cobalt porphyrins and anionic metal-oxo cluster are excellent electrocatalysts, which can reduce O2 to H2O by four-electron transfer pathway. I have characterized the new kinds of electrocatalysts by cyclic, rotating disk and rotating ring-disk voltammetries methods. 6. I am familiar with the synthetic, analytical and structure techniques such as UV-visible absorption spectrometry, fluorescence spectroscopy, MALDI-TOF mass spectrometry, electroanalytical chemistry, NMR and isolation techniques. References Xu Ji-Qing Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R. China Tel: 86-0431-8922331 Ext. 2462 E-mail: xjq@mail.jlu.edu.cn Fax: +86-0431-8949334 Liu Guo-Fa Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R.China Tel: 86-0431-8922331 Ext. 3358 Fax: +86-0431-8949334 Yang Guo-Yu Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R.China Current Address: Department of Chemistry and Biochemistry University of Notre Dame 251 Nieuwland Science Hall Notre Dame, IN 46556-5670 USA Fax: 1-219-631-6652 E-mail: gyang@nd.edu Publications 1. Shu-Qing Liu, Hao-Ran Sun, Ming-Zhong Sun and Ji-Qing Xu. Investigation of a Series of Synthetic Cationic Porphyrins Using Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry. Rapid Commun. Mass Spectrom., 1999, 13: 2034-2039. 2. Liu Shu-Qing, Sun Hao-Ran, Wang Ren-Zhang, XU Ji-Qing. Application of Matrix-Assisted Laser Desorption/Ionization-Time of Flight-Mass S pectrometry in Characterizing a Series of Cationic Porphyrins. Chemical Journal of Chinese Universities, 1999, 20(12): 1858-1862. 3. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-benzylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of China electrochemical conference, Hangzhou, China, 1999, A063. 4. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-ethylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of Chinese electrochemical conference, Hangzhou, China, 1999, A064. 5. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-methylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of electrochemical conference, Hangzhou, China, 1999, A065. 6. Shu-Qing Liu, Ji-Qing Xu, Hao-Ran Sun. Meso-tetrakis(4-N-benzylpyridyl)porphyrin and its Novel Supramolecular Complexes Formed with Anionic Metal-oxo Cluster ¾ Structure, Spectroscopy and Electrocatalytic Reduction of Oxygen. J. Chem. Soc., Dolton Transactions, submitted. 7. Shu-Qing Liu, Ji-Qing Xu, Hao-Ran Sun. Properties of Novel Supramolecular Complexes Formed by Pairing Cationic Porphyrin and Anionic Metal-Oxo Cluster. Chem. Lett., submitted. 8. Qi Chao, Liu Shu-Qing, Zhao Wen-Bin, Qiu Xue-Fei, Zhao Xiao-Song, Zhang Xiao-Yan. The Determination of Stability Constants of Zn(TAPP) with HPLC. Journal of Jilin Agricultural University, accepted for publication. 9. X.-H. Zhou, Y.-H. Xing, J.-Q. Xu, D.-M. Li, R.-Z. Wang, S.-Q. Liu et al. Molybdenum(VI)-Oxygen Complex Containing Citrage Ligand: Synthesis and Characterization of K6[Mo2O5(Cit)2]×5H2O. Solid State Sciences, 1999, 189-198. 10. Chao Qi, Shu-Qing Liu, Wen-Bin Zhao, Xiao-Yan Zhang, Yu-Jing Zhang. Formative Kinetics of Zn(TAPP) with HPLC. Journal of Jilin Agricultural University, 2000, 22(2): in press. 11. R.Z. Wang, J.Q. Xu, G.Y. Yang, W.M. Bu, Y.H. Xing, D.M. Li, S.Q. Liu et al. Structure of [Cu(phen)2]2[{Cu[phen]}2Mo8O26]×H2O. Polish J. Chem., 1999, 73: 1909-1916. 12. Dong-Mei Li, Ji-Qing Xu, Zeng-Chun Li, Yong-Heng Xing, Ren-Zhang Wang, Shu-Qing Liu et al. Preparation and Characterization of a Novel Complex of Molybdenum(V) with Nomocitrate, K5(NH4)[Mo2O2S2(C7H6O7)2]×4H2O. Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 2000, 30(2): in press. 13. Li Dong-Mei, Li Ya-Feng, Xing Yong-Heng, Wang Ren-Zhang, Liu Shu-Qing et al. Synthesis and Structure of Molybdenum-Citrato Cluster with Sulfur-Bridging. Chemical Journal of Chinese Universities, 2000,21 in press. 14. Qi Chao. Zhao Xiao-Song, Qiu Xue-Fei, Liu Shu-Qing, Zhao Wen-Bi, Zhang Xiao-Yan. The Separation and Determination of metal complex of TAPP with HPLC. Journal of Jilin Agricultural University, accepted for publication. 15. Shu-Qing Liu, Hao-Ran Sun, Zhi-Tao Sun, Ji-Qing XU, Dong-Mei Li. Synthesis and Characterization of a Series of Cationic Porphyrins Having Different Steric Effects. Syn. Commun., submitted. 16. Shu Qing Liu, Ji Qing Xu, Hao Ran Sun, Dong Mei Li et al. Synthesis and Structure of a New Cationic Porphyrin of meso-tetrakis(4-N-benzylpyridyl)porphyrin. Chinese Chem. Lett., submitted. 17. Liu Shu-Qing, Sun Hao-Ran, Xu Ji-Qing, Li Dong-Mei. Synthesis and Characterization of a Series of meso-tetrakis(4-N-pyridyl)porphyrin Derivatives. Chinese Journal of Applied Chemistry, submitted. 18. Hao-Ran Sun, Shu-Qing Liu, Jing-Min Shi, Ji-Qing Xu. A Novel Electroactive Polymer Including Interconnected Transition Metals (I): Electropolymerization of a New Dicobalt Complex Bearing Tetraacetylethylene Dianion and o-Phenanthroline Ligands. Electrocehm. Commun., submitted. 19. Hao-Ran Sun, Shu-Qing Liu, Ji-Qing Xu, Shao-Jun Dong. Electrocatalytic Reduction of Dioxygen by Porphyrin-Cluster Supramolecular Catalysts. J. Electroanal. Chem., to be submitted. ****************************************************************************** From: "Shu-Qing Liu" Subject: Postdoctoral position sought Date: Wed, 05 Jan 2000 08:37:36 -0500 Organization: * Dear Sir/Madam I am a Ph.D. candidate in the Department of Chemistry, Jilin University, Changchun, P. R.China. I major in inorganic chemistry and analytical chemistry with synthetic background. My research work concentrates the synthesis and characterization of cationic porphyrins and the supramolecular complexes formed by cationic porphyrins and anionic metal-oxo cluster I have synthesized a series of cationic porphyrins with different side chain groups and anions. These porphyrins include H2TMPyP, H2TEPyP, H2TPPyP, H2TBPyP and the related metal porphyrins. In addition, I have successfully obtained the crystal of Na[H2TBPyP]Cl5×2H2O and got its crystal structure. I also studied the properties of supramolecular complexes formed by the cationic porphyrins and anionic metal-oxo clusters. It is found that the supramolecular complexes were excellent electrocatalysts for reducing O2 to H2O by four-electron-transfer pathway, and these supramolecular complexes could be used as potential materials for fuel cells. I have characterized these porphyrins and the supramolecular complexes by UV-visible absorption spectroscopy, FT-IR, 1HNMR, MALDI-TOF mass spectrometry, elemental analysis, cyclic voltammetry, rotating disk voltammetry, rotating ring-disk voltammetry and SHELXL Program for the X-ray solution and refinement of crystal structure. I am expecting to get a Ph.D. degree in June, 2000. If you have a postdoctoral position and are interested in letting me work with you, please let me know. I would be interested to know the title and the outline of your proposed project. If you have no such fellowship, I would appreciate it very much if you could introduce me to someone else who is looking for a young researcher like me and would be interested in hiring me as a postdoctoral fellow. Shu-Qing Liu Department of Chemistry Jilin University 125 Jiefang Road Changchun, 130023, Jilin, P. R. China Tel: +86-0431-8922331 ext. 2462 (Office) Fax: +86-431-8949334 E-mail: sqliu@mail.jlu.edu.cn Permanent Email: lsqsmz@263.net Curriculum Vitae Name: Shu-Qing Liu Date of Birth: 1 Apr. 1972 Place of Birth: Laiwu City, Shandong Province, P. R. China Sex: Female Health: Excellent Address: Department of Chemistry, Jilin University 125 Jiefang Road Changchun, 130023, Jilin, P. R. China Tel: +86-0431-8922331 ext. 2462 (Office) Fax: +86-431-8949334 E-mail: sqliu@mail.jlu.edu.cn Permanent Email: lsqsmz@263.net Education: Sep. 1995-Jun. 2000 Department of Chemistry Jilin University, Changchun, Jilin Province, P.R. China Degree: Ph.D. in Inorganic Chemistry Sep. 1991-Jul. 1995 Department of Chemistry, Liaocheng Normal College, Shandong Province, P.R. China Degree: B.S. in Chemistry Awards: 1. First prize for student in 1992, in Liaocheng Normal College; 2. First prize for student in 1993, in Liaocheng Normal College; 3. First prize for student in 1994, in Liaocheng Normal College; 4. First prize for student in 1995, in Liaocheng Normal College; 5. First prize for high education in 1996, in Jilin University. Work Experience: I major in inorganic chemistry and analytical chemistry with synthetic background. My research interests are mainly concerned with the synthesis and properties of cationic porphyrins, new supramolecular complexes formed by cationic porphyrin and anionic metal-oxo cluster. The synthetic techniques, analytic chemistry, electroanalytical chemistry and structure chemistry are needed in the work. My research interests are listed below: 1. I have synthesized a series of cationic porphyrins H2TMPyP (meso-tetrakis(4-N-methylpyidyl)porphyrin), H2TEPyP (meso-tetrakis(4-N-ethylpyidyl)porphyrin), H2TPPyP (meso-tetrakis(4-N-propylpyidyl) porphyrin), H2TBPyP(meso-tetrakis(4-N-benthylpyidyl) porphyrin), and their related metal porphyrins. 2. I have studied the behaviors of the series of synthetic cationic porphyrins by MALDI-TOF mass spectrometry. I found that the matrices used could affect the ion formation of the ionic porphyrins. And the space volumes of the side chain groups and the nature anions of the cationic porphyrins could affect the relative abundance and the formation of monomeric and dimeric ions of the porphyrins. The ionization and desorption mechanism of ionic porphyrins were different from those of non-ionic porphyrins. 3. I have successfully obtained the crystal of Na[H2TBPyP]Cl5×2H2O which was suitable for X-ray diffraction studies. I am familiar with the SHELXL Program for the solution and refinement of crystal structure. 4. I have also studied the porphyrin supramolecular systems in aqueous and organic solution formed by the cationic porphyrins and anionic metal-oxo clusters by UV-visible absorption spectrometry, fluorescence spectroscopy, cyclic voltammetry, rotating disk voltammetry and rotating ring-disk voltammetry. 5. I have found that the supramolecular complexes formed by cationic cobalt porphyrins and anionic metal-oxo cluster are excellent electrocatalysts, which can reduce O2 to H2O by four-electron transfer pathway. I have characterized the new kinds of electrocatalysts by cyclic, rotating disk and rotating ring-disk voltammetries methods. 6. I am familiar with the synthetic, analytical and structure techniques such as UV-visible absorption spectrometry, fluorescence spectroscopy, MALDI-TOF mass spectrometry, electroanalytical chemistry, NMR and isolation techniques. References Xu Ji-Qing Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R. China Tel: 86-0431-8922331 Ext. 2462 E-mail: xjq@mail.jlu.edu.cn Fax: +86-0431-8949334 Liu Guo-Fa Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R.China Tel: 86-0431-8922331 Ext. 3358 Fax: +86-0431-8949334 Yang Guo-Yu Professor of Chemistry, Department of Chemistry, Changchun, Jilin, 130023, P.R.China Current Address: Department of Chemistry and Biochemistry University of Notre Dame 251 Nieuwland Science Hall Notre Dame, IN 46556-5670 USA Fax: 1-219-631-6652 E-mail: gyang@nd.edu Publications 1. Shu-Qing Liu, Hao-Ran Sun, Ming-Zhong Sun and Ji-Qing Xu. Investigation of a Series of Synthetic Cationic Porphyrins Using Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry. Rapid Commun. Mass Spectrom., 1999, 13: 2034-2039. 2. Liu Shu-Qing, Sun Hao-Ran, Wang Ren-Zhang, XU Ji-Qing. Application of Matrix-Assisted Laser Desorption/Ionization-Time of Flight-Mass S pectrometry in Characterizing a Series of Cationic Porphyrins. Chemical Journal of Chinese Universities, 1999, 20(12): 1858-1862. 3. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-benzylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of China electrochemical conference, Hangzhou, China, 1999, A063. 4. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-ethylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of Chinese electrochemical conference, Hangzhou, China, 1999, A064. 5. Shu-Qing Liu, Hao-Ran Sun, Dong-Mei Li, Ji-Qing Xu. Electrocatalytic Reduction of Dioxygen by Cobalt of meso-tetrakis(4-N-methylpyridyl)porphyrin-Cluster Supramolecular Catalysts. The 10th of electrochemical conference, Hangzhou, China, 1999, A065. 6. Shu-Qing Liu, Ji-Qing Xu, Hao-Ran Sun. Meso-tetrakis(4-N-benzylpyridyl)porphyrin and its Novel Supramolecular Complexes Formed with Anionic Metal-oxo Cluster ¾ Structure, Spectroscopy and Electrocatalytic Reduction of Oxygen. J. Chem. Soc., Dolton Transactions, submitted. 7. Shu-Qing Liu, Ji-Qing Xu, Hao-Ran Sun. Properties of Novel Supramolecular Complexes Formed by Pairing Cationic Porphyrin and Anionic Metal-Oxo Cluster. Chem. Lett., submitted. 8. Qi Chao, Liu Shu-Qing, Zhao Wen-Bin, Qiu Xue-Fei, Zhao Xiao-Song, Zhang Xiao-Yan. The Determination of Stability Constants of Zn(TAPP) with HPLC. Journal of Jilin Agricultural University, accepted for publication. 9. X.-H. Zhou, Y.-H. Xing, J.-Q. Xu, D.-M. Li, R.-Z. Wang, S.-Q. Liu et al. Molybdenum(VI)-Oxygen Complex Containing Citrage Ligand: Synthesis and Characterization of K6[Mo2O5(Cit)2]×5H2O. Solid State Sciences, 1999, 189-198. 10. Chao Qi, Shu-Qing Liu, Wen-Bin Zhao, Xiao-Yan Zhang, Yu-Jing Zhang. Formative Kinetics of Zn(TAPP) with HPLC. Journal of Jilin Agricultural University, 2000, 22(2): in press. 11. R.Z. Wang, J.Q. Xu, G.Y. Yang, W.M. Bu, Y.H. Xing, D.M. Li, S.Q. Liu et al. Structure of [Cu(phen)2]2[{Cu[phen]}2Mo8O26]×H2O. Polish J. Chem., 1999, 73: 1909-1916. 12. Dong-Mei Li, Ji-Qing Xu, Zeng-Chun Li, Yong-Heng Xing, Ren-Zhang Wang, Shu-Qing Liu et al. Preparation and Characterization of a Novel Complex of Molybdenum(V) with Nomocitrate, K5(NH4)[Mo2O2S2(C7H6O7)2]×4H2O. Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 2000, 30(2): in press. 13. Li Dong-Mei, Li Ya-Feng, Xing Yong-Heng, Wang Ren-Zhang, Liu Shu-Qing et al. Synthesis and Structure of Molybdenum-Citrato Cluster with Sulfur-Bridging. Chemical Journal of Chinese Universities, 2000,21 in press. 14. Qi Chao. Zhao Xiao-Song, Qiu Xue-Fei, Liu Shu-Qing, Zhao Wen-Bi, Zhang Xiao-Yan. The Separation and Determination of metal complex of TAPP with HPLC. Journal of Jilin Agricultural University, accepted for publication. 15. Shu-Qing Liu, Hao-Ran Sun, Zhi-Tao Sun, Ji-Qing XU, Dong-Mei Li. Synthesis and Characterization of a Series of Cationic Porphyrins Having Different Steric Effects. Syn. Commun., submitted. 16. Shu Qing Liu, Ji Qing Xu, Hao Ran Sun, Dong Mei Li et al. Synthesis and Structure of a New Cationic Porphyrin of meso-tetrakis(4-N-benzylpyridyl)porphyrin. Chinese Chem. Lett., submitted. 17. Liu Shu-Qing, Sun Hao-Ran, Xu Ji-Qing, Li Dong-Mei. Synthesis and Characterization of a Series of meso-tetrakis(4-N-pyridyl)porphyrin Derivatives. Chinese Journal of Applied Chemistry, submitted. 18. Hao-Ran Sun, Shu-Qing Liu, Jing-Min Shi, Ji-Qing Xu. A Novel Electroactive Polymer Including Interconnected Transition Metals (I): Electropolymerization of a New Dicobalt Complex Bearing Tetraacetylethylene Dianion and o-Phenanthroline Ligands. Electrocehm. Commun., submitted. 19. Hao-Ran Sun, Shu-Qing Liu, Ji-Qing Xu, Shao-Jun Dong. Electrocatalytic Reduction of Dioxygen by Porphyrin-Cluster Supramolecular Catalysts. J. Electroanal. Chem., to be submitted. ****************************************************************************** From: David Bostwick Date: Wed, 05 Jan 2000 13:55:56 -0500 Subject: Address changes The address used for submitting articles to the newsgroup was changed slightly during the server upgrade, and the old one became illegal. We were not aware of the change, which would have caused articles submitted since 12/30/99 to bounce back to the sender. The alias has been modified to point to the correct address. Articles may also be mailed to . If you have the old address, , in your records, please replace it with either of the above addresses. We apologize for any problems. David Bostwick ****************************************************************************** From: Amber_Allen@hc-sc.gc.ca Date: Wed, 5 Jan 2000 11:27:31 -0800 Subject: LC/MS/MS question Organization: * I am currently trying to develop a LC/MS/MS method to quantitate a compound called Nordihydroguaiaretic Acid in a Chaparral herb matrix. However, spiking into this herbal matrix results in high recoveries and it looks like enhancement. Are there any options to overcome this enhancement other than developing a new extraction and cleanup method? If the later is the case I've tried extraction with MeOH and a C18 SPE cleanup which works well for LC/UV but not for LC/MS. Perhaps someone has a suggestion as to a more specific extraction/cleanup. Thanks for any input. Amber Allen Health Canada Health Protection Branch ****************************************************************************** From: "David B. Hedrick" Date: Thu, 06 Jan 2000 03:31:51 -0500 Subject: Re: LC/MS/MS question Organization: Hedrick Services Amber: In general, it's not possible to spike a compound onto a natural product and have it act like the compound in the product. The work around is to prove that the extraction step is quantitative (I'll settle for 95%, some others much less but they are barbarians). Then add an internal standard to control for losses in cleanup steps. } I am currently trying to develop a LC/MS/MS method to quantitate a } compound called Nordihydroguaiaretic Acid in a Chaparral herb matrix. } However, spiking into this herbal matrix results in high recoveries and it } looks like enhancement. Are there any options to overcome this } enhancement other than developing a new extraction and cleanup method? } If the later is the case I've tried extraction with MeOH and a C18 SPE } cleanup which works well for LC/UV but not for LC/MS. Perhaps someone has } a suggestion as to a more specific extraction/cleanup. Thanks for any } input. } } Amber Allen } Health Canada } Health Protection Branch -- ~DBH Technical writing, literature search, and data analysis at the interface of chemistry and biology. davidbhedrick@icx.net David B. Hedrick P.O. Box 16082 Knoxville, TN 37996 ****************************************************************************** From: Arkady_Gusev@RohmHaas.Com (Arkady Gusev) Date: Thu, 6 Jan 2000 10:46:58 -0500 Subject: Normal Phase LC - MS combination Organization: * Dear MS people We need to combine normal phase separation with Sciex 365 Turbo spray. Since we do not have a triple layer needle, we are planning to introduce some dopant via T mixer after LC column but before ESI spray. I would also like to get some recommendation concerning normal phase solvent selection, dopant amount and ESI vs APCI choices. Arkady Gusev ****************************************************************************** From: coggan@grecc.umaryland.edu Date: Thu, 06 Jan 2000 20:11:46 GMT Subject: sick MSD Organization: Deja.com - Before you buy. Our HP 5971A MSD exhibits very low sensitivity and refuses to tune properly after being shut down for routine maintenance (fresh carrier gas, etc.). The vacumn is good, the source is clean (and I've tried a spare source), there's no evidence of contamination, the PFTBA is present (vial is full, valve is heard to open and close, source pressure rises when valve is open), and the detector (which had/should have plenty of useful life left) does respond to increases in EMV. Could this be a quadrapole problem? When tuning, the AMU gain and offset must be set far from where they normally are to obtain any signal at all, and I actually get a bigger signal when setting the polarity opposite of normal. Any help with diagnosing and/or rectifying the problem would be much appreciated. -- Andrew Coggan Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: "Beaty, Tom" Date: Thu, 6 Jan 2000 17:38:08 -0500 Subject: New Employee Announcement Organization: * Micromass, Inc, is pleased to announce that, due to the great success of our products in both the southern US and the entire country, we are expanding our sales force. We have hired a "new" sales representative, Mr. Larry Abbey, to cover the southeastern states, to include Florida, Georgia, Alabama and South Carolina. Many of you already know Larry, who has re-joined Micromass after several years' absence. Larry brings a very strong technical background to this position, and he will be a great asset to Micromass. Larry's career began at Georgia Tech where he served as Director of the Mass Spectrometry Facility for sixteen years, providing analytical mass spectrometry support to the University community while pursuing an active research program in mass spectrometry. In 1988 Larry joined VG Instruments, Inc. as a sales representative in the southeast, representing the VG line of organic mass spectrometers. Larry left VG in 1991 to establish and manage Triangle Laboratories Bioanalytical, a contract bioanalytical chemistry laboratory specializing in pharmacokinetics and related analyses in support of pharmaceutical research and development. The laboratory specialized in analytical problem solving using mass spectrometric techniques. After merging the laboratory with another company in 1995, Larry joined Beckman Coulter, Inc. as a sales representative for bioseparations products in a five-state territory. Product responsibilities included capillary electrophoresis, HPLC, protein purification, and analytical ultracentrifugation. Larry will report to Tom Beaty, who will act as Regional Sales Manager with overall responsibility for the southern US from North Carolina through Texas. Please welcome Larry to Micromass and wish him well in his new position. He can be reached at 770-414-5089, and his e-mail will be larry_abbey@mspeople.com (effective in the near future). Best regards, Tom Thomas C. Beaty Regional Sales Manager Micromass, Inc. 713 Brookfield Road Raleigh, NC 27615 Tel: 919-676-8467 Fax: 919-676-4512 E-Mail: Tom_Beaty@mspeople.com ****************************************************************************** From: Johnie Brown Date: Thu, 06 Jan 2000 17:54:15 -0500 Subject: Request for advice on academic MS service charge structure Organization: * I just signed on to this electronic service and wondered if this request would be appropriate. We are modernizing our MS service center to include accurate mass MALDI and ElectroSpray MSMS. Our charge structure for EI and FAB has already been causing us problems. Before reworking our charge schedules we would like to hear about other academic MS service centers and how others think such general MS research service users can be charged. Would anyone like to share their charge policies? Our goal is to recover enough to pay for all of our chromatography, chemical, sample prep and consumable supplies along with enough extra to cover 15 to 25% of the costs of minor hardware and software upgrades. The additional upgrade money and all major purchases must be covered from other funding sources. Is this a common goal? Has anyone managed to accomplish it? Thanks Johnie Brown OSU CCIC MS Facility ****************************************************************************** From: joerg.hau@rdls.nestle.com Date: Fri, 7 Jan 2000 11:03:17 +0100 Subject: Job Opening: Analytical Chemist - Lausanne, Switzerland Organization: * The NESTLE Research Center in Lausanne has an immediate opening for an ANALYTICAL CHEMIST to strengthen the activities of our Veterinary Drugs Laboratory within the Department of Quality & Safety Assurance. Projects are dedicated to confirmatory method development using state-of-the-art instrumentation with emphasis on LC-MS/MS techniques, as well as investigations on rapid field methods for veterinary drugs and their optimization for use on complex matrices. You should have a PhD in chemistry or biochemistry and substantial "on the bench" experience in trace analysis on complex biological matrices or food samples. A significant background in analytical chemistry and LC-MS techniques is required, and good communication and interpersonal skills are mandatory. Fluency in English is a must, French or German would be an advantage. If the above profile fits your background, and you are interested in this challenging position, then please send your application with full supporting documentation to: NESTLE Research Center Human Resources Department Attn Mrs A. Dolci Rey P.O. Box 44 CH-1000 Lausanne 26 Switzerland For further information, contact Dr. Richard Stadler, phone ++41-21-785.83.60. --- Best regards, and have a nice day! Joerg ---------------------------------------------------------------------- Joerg Hau NESTLE Research Center, Lausanne, Switzerland joerg.hau(at)rdls.nestle.com "All standard disclaimers apply." ---------------------------------------------------------------------- Never take life seriously. Nobody gets out alive anyway. ---------------------------------------------------------------------- ****************************************************************************** From: Iain Gilmour Date: Fri, 07 Jan 2000 10:56:16 +0000 Subject: Re: sick MSD Organization: The Open University This does sound ominously familiar. We had a very similar problem that showed the same symptoms, i.e., extreme AMU gain and offset settings though we were also getting consistent errors on autotune such as "unable to achieve constant peak widths". Such problems can be electronic, particularly the top board where there can be a problem with a relay on older instruments or also possibly dirty quadrapole contacts. In the end our problem appears to have been a quadrapole problem, specifically some of the coating on the fused silica had flaked off at one end - presumably drastically affecting its performance. Obviously removing the quadrapole for inspection is not to be recommended except as a very last resort - we only did it after having swapped both top and main electronic boards. With such a serious quad problem there is little option but to replace the analyser, not cheap. Iain ------------------------------------- Iain Gilmour Planetary Sciences Research Institute The Open University Milton Keynes MK7 6AA United Kingdom ****************************************************************************** From: "David Sparkman" Date: Fri, 07 Jan 2000 13:08:42 GMT Subject: Re: sick MSD Organization: @Home Network Andrew, If your routine maintenance involved the multiplier, it may not be correctly positioned. Regards; O. David Sparkman Consultant-At-Large ods@compuserve.com wrote in message news:852tmv$akr@catapult.gatech.edu... } Our HP 5971A MSD exhibits very low sensitivity and refuses to tune } properly after being shut down for routine maintenance (fresh carrier } gas, etc.). The vacumn is good, the source is clean (and I've tried a } spare source), there's no evidence of contamination, the PFTBA is } present (vial is full, valve is heard to open and close, source pressure } rises when valve is open), and the detector (which had/should have } plenty of useful life left) does respond to increases in EMV. Could this } be a quadrapole problem? When tuning, the AMU gain and offset must be } set far from where they normally are to obtain any signal at all, and I } actually get a bigger signal when setting the polarity opposite of } normal. } } Any help with diagnosing and/or rectifying the problem would be much } appreciated. } } -- } Andrew Coggan } } } Sent via Deja.com http://www.deja.com/ } Before you buy. } } ****************************************************************************** From: "Andy Yakuboff" Date: Sun, 9 Jan 2000 13:48:09 -0500 Subject: Re: sick MSD Organization: AT&T WorldNet Services Andrew, If you have copies of your old autotunes, try to establish what your historical settings have roughly been for the AMU GAIN, AMU OFFSET, MASS GAIN, and MASS OFFSET, as well as the DC Polarity. If you don't have any autotune hardcopies, you 'might' be able to see these values in a file c:\hpchem\1\5971\atune.csv (which is readable in excel). Sometimes the autotune algorithm will zig when it should have zagged and will end up with very inappropriate voltages for the gain and offsets. Enter the approximate historical values in atune.u in manual tune, save the file, and first just see if you can see peaks in the 69,219,502 windows (profile scan). Then go ahead and attempt to autotune. If you're not getting any mass filter status errors, I'd be surprised if it were quad related. Does your 'very low sensitivity/refuses to tune' comment refer to: 1) lack of any signal whatsoever in the 69/219/502 windows? 2) the inability to complete a tune...period? 3) the inability to achieve good abs/relative abundance (69@2m,219>30%,502>1%) 4) poor sensitivity to the compounds you're injecting? Good Luck, Andy Yakuboff wrote in message news:852tmv$akr@catapult.gatech.edu... } Our HP 5971A MSD exhibits very low sensitivity and refuses to tune } properly after being shut down for routine maintenance (fresh carrier } gas, etc.). The vacumn is good, the source is clean (and I've tried a } spare source), there's no evidence of contamination, the PFTBA is } present (vial is full, valve is heard to open and close, source pressure } rises when valve is open), and the detector (which had/should have } plenty of useful life left) does respond to increases in EMV. Could this } be a quadrapole problem? When tuning, the AMU gain and offset must be } set far from where they normally are to obtain any signal at all, and I } actually get a bigger signal when setting the polarity opposite of } normal. } } Any help with diagnosing and/or rectifying the problem would be much } appreciated. } } -- } Andrew Coggan } } } Sent via Deja.com http://www.deja.com/ } Before you buy. } } ****************************************************************************** From: liba Date: Sun, 09 Jan 2000 11:19:45 -0800 Subject: determination of Zr with ETV-ICPMS Organization: http://www.remarq.com: The World's Usenet/Discussions Start Here Hello, For my final research paper, I'd like to determine Zr in plastics with ETV-ICPMS. Has anybody done this before, or can anybody give me some information about modifiers that make Zr more volatile?? You can send your information to my E-mailaddress. Lieve.Balcaen@rug.ac.be Thanks Lieve * Sent from AltaVista http://www.altavista.com Where you can also find related Web Pages, Images, Audios, Videos, News, and Shopping. Smart is Beautiful ****************************************************************************** From: Andrew Coggan Date: Sun, 09 Jan 2000 16:22:14 -0500 Subject: Re: sick MSD Organization: * Andy Yakuboff wrote: } If you have copies of your old autotunes, try to establish what your } historical settings have roughly been for the AMU GAIN, AMU OFFSET, MASS } GAIN, and MASS OFFSET, as well as the DC Polarity. We routinely save hard copies of old autotunes...the AMU gain and offset required now to get practically any signal at all are essentially 0, i.e., far from where they were and should be. Other settings (e.g., mass gain) are also different, but not as dramatically. The quad has always 'prefered' negative polarity, but now you actually get a slighty larger signal when polarity is set positive. } Does your 'very low sensitivity/refuses to tune' comment refer to: } } 1) lack of any signal whatsoever in the 69/219/502 windows? } 2) the inability to complete a tune...period? } 3) the inability to achieve good abs/relative abundance } (69@2m,219>30%,502>1%) } 4) poor sensitivity to the compounds you're injecting? I meant #1, i.e., abundance even at m/z 69 is quite low, and you have to really turn up the EMV and fiddle with source voltages to get any peak at all. Not surprisingly, trying to autotune invariably leads to a 'unable to achieve constant peak width' error. In addition to trying two different sources, since my first post I have also swapped out the detector for a spare we had on hand...this had no effect. I continue to think that if it's not the source, and it's not the detector, then it has to be what's in between, i.e., the quad (and/or the electronics that control it)... Andrew Coggan ****************************************************************************** From: Bruce Tattam Date: Mon, 10 Jan 2000 14:54:08 +1100 Subject: Parts for Sale Organization: * Dear List Members, We have just de-commissioned our Finnigan/Mat TSQ4600B. We would like to offer parts for sale from the instrument. Due to our location (Australia) the sale of heavy items would be limited. The instrument is in working order with a rf/dc problem in QEM1. The GC was a Finnigan 9611 with a HP7673A autosampler. For more information on this instrument please email me direct. Thankyou for your time. **************************************************************************** Bruce Tattam Facility Manager Mass Spectrometry Analytical Facility Department of Pharmacy A15 University of Sydney 2006 Ph 61(02)93513451 Fax 61(02)93514447 E-Mail : brucet@pharm.usyd.edu.au Web Site: http://www.pharm.su.oz.au/msf/ **************************************************************************** ****************************************************************************** From: joerg.hau@rdls.nestle.com Date: Mon, 10 Jan 2000 09:08:02 +0100 Subject: [more info] Job Opening: Analytical Chemist - Lausanne, Switzerla Organization: * Dear All, Oops, in the job opening I forgot to add two informations. Sorry for the inconvenience ... (1) }For further information, contact Dr. Richard Stadler, phone ++41-21-785.83.60. ... of course there's also an e-mail address: richard.stadler(at)rdls.nestle.com (2) The ad will also be visible soon at www.sgms.ch, (follow the link to the 'jobs' section). } Best regards, } and have a nice day! } } Joerg } } } } ---------------------------------------------------------------------- } Joerg Hau NESTLE Research Center, Lausanne, Switzerland } joerg.hau(at)rdls.nestle.com "All standard disclaimers apply." } ---------------------------------------------------------------------- } ****************************************************************************** From: "Andy Yakuboff" Date: Mon, 10 Jan 2000 06:56:46 -0500 Subject: Re: sick MSD Organization: AT&T WorldNet Services Andrew, A good test of the circuitry driving the quad is to go to the Diagnostics panel and check the RFPA dip voltage. Start with 100 when asked to enter the mass. The voltage returned to the screen could be anywhere from 90-120 mv. If it is too high, adjust the two threaded screws EVENLY to lower the voltage echoed on the screen. You want to minimize the voltage reading. The lowest I've ever seen for mass 100 on a working system was 83mv. The highest 135mv. Make sure you check the reading with the flat blade screwdriver removed from the threaded screws. However, if the voltage echoed back is 5mv, it is sensing a status problem, and you won't get a good reading. You may have to start at mass 50 and tweak the RFPA voltage down. Repeat the process for 300 amu and 600 amu, again, the voltage returned should be 'around' the same for the mass you entered. Generally speaking, if you can dip the RFPA successfully, the quad circuitry (and power supplies driving it) are good. Regards, Andy ****************************************************************************** Date: Mon, 10 Jan 2000 10:19:24 -0500 Subject: Re: Request for advice on academic MS service charge structure Organization: * Here is a reply to Johnie Brown's question about service charges for mass spec core labs. A couple of year's ago Bob Minard of Penn State and I did a survey of mass spec labs for the Analytical Lab Manager's Interest Group of the ASMS. The results contain a summary of the fee structures of about 30 academic labs. It is posted on my web site at http://www.chem.ufl.edu/Technical/spectro/ASMS.html I hope that this helps. }Johnie Brown wrote: } I just signed on to this electronic service and wondered if this }request would be appropriate. We are modernizing our MS service center }to include accurate mass MALDI and ElectroSpray MSMS. Our charge }structure for EI and FAB has already been causing us problems. Before }reworking our charge schedules we would like to hear about other academic }MS service centers and how others think such general MS research service }users can be charged. Would anyone like to share their charge policies? } Our goal is to recover enough to pay for all of our chromatography, }chemical, sample prep and consumable supplies along with enough extra to }cover 15 to 25% of the costs of minor hardware and software }upgrades. The additional upgrade money and all major purchases must be }covered from other funding sources. Is this a common goal? Has anyone }managed to accomplish it? } }Thanks }Johnie Brown }OSU CCIC MS Facility } Best Regards, Dave Dr. David H. Powell Tel (352) 392-8782 Director, Spectroscopic Services FAX (352) 392-4651 Department of Chemistry email powell@chem.ufl.edu University of Florida PO BOX 117200 Gainesville, FL 32611-7200 ****************************************************************************** From: coggan@grecc.umaryland.edu Date: Mon, 10 Jan 2000 20:20:19 GMT Subject: Re: sick MSD Organization: Deja.com - Before you buy. Thank you, Andy, and others who responded to my request for assistance. However, when I pumped down the instrument one more time to try your suggestion, the problem disappeared as mysteriously as it first appeared! My only explanation is that we had a bad electrical connection somewhere, that developed when the instrument was first taken apart prior to the holidays, and then somehow remained through multiple venting/disassembly/reassembly/pump down cycles despite repeated checking of all plugs, connectors, etc. IOW, a case of the gremlins... Andrew Coggan "Andy Yakuboff" wrote: } Andrew, } } A good test of the circuitry driving the quad is to go to the Diagnostics } panel and check the RFPA dip voltage. } } Start with 100 when asked to enter the mass. The voltage returned to the } screen could be anywhere from 90-120 mv. If it is too high, adjust the two } threaded screws EVENLY to lower the voltage echoed on the screen. You want } to minimize the voltage reading. The lowest I've ever seen for mass 100 on } a working system was 83mv. The highest 135mv. Make sure you check the } reading with the flat blade screwdriver removed from the threaded screws. } } However, if the voltage echoed back is 5mv, it is sensing a status problem, } and you won't get a good reading. You may have to start at mass 50 and } tweak the RFPA voltage down. } } Repeat the process for 300 amu and 600 amu, again, the voltage returned } should be 'around' the same for the mass you entered. Generally speaking, } if you can dip the RFPA successfully, the quad circuitry (and power supplies } driving it) are good. } } Regards, } } Andy Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: "Karl J. Treier" Date: Mon, 10 Jan 2000 22:31:01 -0500 Subject: Finnigan MAT ITD GCMS Users Organization: Posted via Supernews, http://www.supernews.com I have a patched version of ITDS that will run on Pentium's and Pentium II's at full speed. Fixes problems with large Hard Drives too. Cost $250 e-mail: ktreier@fuse.net for ordering details. ****************************************************************************** From: "M Sweeney - MSMS Consulting" Date: Tue, 11 Jan 2000 07:35:03 GMT Subject: Re: LC/MS/MS question Organization: EarthLink Network, Inc. Amber More details of what you have done and how you are doing would get you more feedback on this one. The problem I see is that there is no "blank" matrix you can evaluate. If it is ESI then a switch to APCI might help as this may be less affected by matrix chemistry phenomena. Also you might try neg. and positive. Also you might run full scan runs in matrix spiked at a high level to see what is going on with all the other ions when the peak is eluting. Then compare this with a run done full scan with out matrix. Comparing the two may be helpful. Sometimes methods are developed with pure stds (MS/MS - SRM) and the full scan of the matrix never looked at as it is considered junk info. There are mixed mode SPE cartridges that might be helpful. Many people use water and then Meoh on an spe and get two fractions and shoot the meoh one. Perhaps use of an intermediate composition would allow a cleaner sample to be prepared for injection. Well that is it for now. Good luck. Matt Sweeney mattsweeney@earthlink.net Mass Spec Consulting Training/Operations/Consulting/Method Development LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, Maintenance Classes, Specialist in Finnigan Equipment and Software Amber_Allen@hc-sc.gc.ca wrote in message <850669$6c6@catapult.gatech.edu>... } } }I am currently trying to develop a LC/MS/MS method to quantitate a }compound called Nordihydroguaiaretic Acid in a Chaparral herb matrix. }However, spiking into this herbal matrix results in high recoveries and it }looks like enhancement. Are there any options to overcome this }enhancement other than developing a new extraction and cleanup method? }If the later is the case I've tried extraction with MeOH and a C18 SPE }cleanup which works well for LC/UV but not for LC/MS. Perhaps someone has }a suggestion as to a more specific extraction/cleanup. Thanks for any }input. } }Amber Allen }Health Canada }Health Protection Branch } } } } ****************************************************************************** From: Youling Wu Subject: MS Position In BMS Date: Tue, 11 Jan 2000 11:36:17 -0500 Organization: Bristol-Myers Squibb [This is from the Atlanta/Athens discussion group mailing list. The attached file referred to is a Word document, and has been added to the STMS FTP site at . DB] Dr. Orlando, My name is Youling Wu and I am a Sr. Research Investigator in BMS Hopewell. I have been referred to you by Dr. Steven B. Levery. I am looking for a post doctor or a Ph.D. graduate to join our Bioanalytical Department. The candidate should have strong background in protein and glycoprotein characterization using LC-MS or 2D-Gel plus in gel digestion followed by MS characterization. Please find the attached file for the job description. I am looking forward to hearing from you and your help is highly appreciated. Happy New Year to you! Youling ****************************************************************************** From: Graeme Robertson Date: Wed, 12 Jan 2000 18:46:14 +0000 Subject: FATTY ACID ANALYSIS BY MASS SPECTROMETRY PRACTICAL COURSE Organization: * A Three Day Intensive Practical Course on the analysis of Fatty Acids is to be held 10-12 May 2000 by the Mylnefield Research Services Lipid Analysis Unit based at Invergowrie Dundee DD2 5DA. U.K. The course of tutorials and hands on practicals will include GC, HPLC and GC/MS methodology to include :-preparation of suitable derivatives and the analysis of samples by GC and HPLC and in particular to those interested in MASS SPECTROMETRY :-the interpretation of Mass Spectral Data of Fatty Acid derivatives ,Methyl esters,Picolinyl and Dmox Derivatives etc. Further details are available from the following web site address:- www.lipid.co.uk/courses/may2000.html or from Jonathan Snape Mylnefield Research Services Ltd. Invergowrie, Dundee DD2 5DA TEL +44 1382 568582 FAX+44 1382 568501 E-mail jsnape@scri.sari.ac.uk A preview of some of the mass spectrometry course material can be seen at the following address www.lipid.co.uk/INFORES/masspec.html ****************************************************************************** From: "David Ingram" Date: Thu, 13 Jan 2000 11:16:01 -0800 Subject: Fire Sale: Kratos Concept H Organization: Teleport Inc. Hi: I'm posting on behalf of a colleague at a Bay-area pharmaceutical concern. Over there, it's in with the new (GCMS) and out with the old. They have the following set-up and are looking for a good home. It MUST be dealt with by 1/22/99, to make space for the new equipment, so all reasonable offers (and no doubt some unreasonable ones) will be strongly considered! Sorry if some of these specs are wrong/mistyped - not my area of expertise, but please email me if you'd like to discuss directly with/take advantage of the current owners! Best regards - David Ingram, Optimize Technologies (david at opti-tech dot com) THE SYSTEM: Model: KRATOS Concept H Ion Source: 1) ESI, APC1 (Source from Analytica of Branford) 2) E1 3) C1 4) FAB (or SIMS) 5) Liquid SIMS Resolution; Up to 10,000 Data System: 1) Unix computer (1994) 2) Software for MS : Mach 3 3) Laser Printer Other Facilities: 1) GC - HP 5890 Series II 2) 3 mechanical pumps 3) 3 turbo pumps 4) Chiller - Naslab CFT 150 ***** ****************************************************************************** From: tonys2@aol.com (TonyS2) Date: 13 Jan 2000 21:24:37 GMT Subject: FS Spectrace 5000 EDXRF Organization: AOL http://www.aol.com Leave FAX no for details Tony Alex Va ****************************************************************************** From: "Michael Sherrell" Date: Thu, 13 Jan 2000 15:41:08 -0800 Subject: Mass specs for sale Organization: * Sciex API 365, $99,000: ES & APCI; + $15,000/PE install/warranty; 2 available Sciex API 300, $69,000: ES & APCI; + $15,000/PE install/warranty; 2 available Sciex API 2000, $150,000: 1 yr old; includes HPLC and autosampler; Sciex- certified Sciex API III+, $49,000: Triple quad: ES, APCI; +$15K/install w/ 90-day warranty Sciex API 150: $98,000: 2 yrs old; includes HPLC, autosampler & ELSD detector Sciex API 100: call Micromass Quattro II: $79,000: 1995 model; non-Z-spray; Micromass certified; + $40,000/Z-spray; + $30,000/factory install & warranty Micromass Quattro I: $25,000 or best offer: 1992 model; running in lab now Finnigan LCQ "Classic", $119,000: MS^n; 2 yrs. old; incl. HPLC, fraction collector, installation + 1 yr. warranty Finnigan TSQ 7000, $87,500: LC + GC; current software; API-1 source Finnigan SSQ 7000, $140,000: API-2 source, es+apci, Excaliber software, factory refurb, 90-day warranty, install included Finnigan SSQ 7000, $65,000: electrospray, APCI, ISIS data system, API 1 source Finnigan TSQ 700, $60,000: 1993 triple-quad; API 1, electrospray, APCI, DCI; install + warr. included Finnigan Navigator, $75,000: 18 mos. old; factory refurb, install & 90-day warr. included Finnigan MAT 95, $260,000; Hi res mag sector. 1994, ES, APCI, FAB, Thermospray, GC interface, install, delivery, 1 yr warranty Kratos Concept H: asking $200,000: 1994 double sector hi res; EI, CI, FAB, LS, ESI, APCI; GC & LC. HP 1100, $125,000: APCI & API-es, autosampler, DAD detector, 13 mos. old HP 5989B, $45,000; Extended mass range, hex ion guide; HPLC & warranty avail. Finnigan MAT 90, <$50,000; Hi-resolution magnetic sector Fisons VG 2000, <$100,000 MALDI-TOFs: LaserMAT 2000, $24,000: new detector + laser; +$2,000/install; svc. contracts avail. Other mass specs, DNA/protein sequencers & synthesizers, NMRs available; check the website. Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com ****************************************************************************** From: gal@taloa.unice.fr (J.-F. Gal) Date: Fri, 14 Jan 2000 15:22:35 +0000 Subject: CMS 47 (FT-ICR) hard disk Organization: * Dear List Readers, We have a problem with (apparently) the hard disk of a Bruker CMS 47 (FT-ICR) console. The computer is a Aspect 3000, which seems to work OK with its floppy disk. The disk is a BASF 24 Mb winchester drive enclosed in a Bruker case (it is about 50 by 50 by 10 cm large, and very heavy for such a capacity; manufactured in 1985 approximately). I wander if it is possible to find such an old device as a used part in a lab or through resale: I remember that there is at least a company in Germany selling used MS and other spectrometers, but I lost their address. Any help and suggestions to fix this problem will be greatly appreciated. Best regards to all, Jean-Francois Gal ----------------------------------------------------- Prof. J.-F. GAL Chimie des Matériaux Organiques et Métalliques (CMOM) Fac. des Sciences*Parc Valrose Univ. de Nice-Sophia Antipolis 06108 NICE Cedex 2*FRANCE Tel : (33) (0)4 92 07 61 10 Fax : (33) (0)4 92 07 61 11 E-mail : Jean-Francois.Gal@unice.fr (gal@unice.fr) ----------------------------------------------------- ****************************************************************************** From: Jonathan ZHAO Date: Fri, 14 Jan 2000 10:10:17 -0800 (PST) Subject: fast GC-MS Organization: * Hi, I'm a chemist working in a combinatorial chemistry lab, Would you please tell me if there're some publications about fast GC-MS for the combichem. analysis ? Thanks a lot __________________________________________________ Do You Yahoo!? Talk to your friends online with Yahoo! Messenger. http://im.yahoo.com ****************************************************************************** From: Bruce Tattam Date: Mon, 17 Jan 2000 13:45:38 +1100 Subject: Mass Spec Parts TSQ4600 Organization: * Dear List Members, Our server has just been upgraded and our web address has changed, sorry for the inconvenience to people trying to access that incorrect URL. We have just de-commissioned our Finnigan/Mat TSQ4600B. We would like to offer parts for sale from the instrument. Due to our location (Australia) the sale of heavy items would be limited. The instrument was in working order with an rf/dc problem in QEM1. The GC was a Finnigan 9611 with a HP7673A autosampler. For more information on this instrument please email me direct. Thankyou for your time. **************************************************************************** Bruce Tattam Facility Manager Mass Spectrometry Analytical Facility & NMR Facility Faculty of Pharmacy A15 University of Sydney 2006 Ph (02) 9351 3451 Fax (02) 9351 4447 E-Mail : brucet@pharm.usyd.edu.au Web Site: http://www.pharm.usyd.edu.au/msf/ http://www.pharm.usyd.edu.au/nmr/ **************************************************************************** ****************************************************************************** From: Thomas Gude Date: Mon, 17 Jan 2000 21:02:12 +0100 Subject: LCQ Duo upgrade possible? Organization: T-Online Hy anyone! I am not really sure,but in princible an upgrade of a LCQ duo, which is only able to run in MS/MS and not in MS(n) mode, must be possible - it is only software!! Does anyone have an idea what is a possible way?? Many Thanks Thomas ****************************************************************************** From: "Stephen McClean" Date: Tue, 18 Jan 2000 15:54:54 -0000 Subject: Data conversion Organization: University of Ulster Dear List Members We are trying to convert *.RAW data files from the LCQ ion trap mass spectrometer to a format that will be compatible with Excel or similar spreadsheet packages. The aim of this work is the mathematical comparison of two or more separate files for common ions at common retention times. Typically LC MS data is used, however using ANDI, ICIS and ASCII conversion we have been unable to successfully convert the files to a format which retains retention time, m/z and ion intensity data. Any help in this matter would be gratefully received. Sincerely Stephen McClean ------------------------------------------------------ Dr Stephen McClean School of ABCS, University of Ulster Coleraine Co Londonderry, BT52 1SA, UK Tel: ++44 (0)1265 324767 Fax: ++44 (0) 1265 324906 http://www.geocities.com/stephenmcclean ------------------------------------------------------ "Except a man be born again, he cannot see the kingdom of God." John 3:3 ****************************************************** ****************************************************************************** From: "Sumner, Lloyd" Date: Tue, 18 Jan 2000 13:41:10 -0600 Subject: Biological MS Postdoc Position Organization: * Postdoctoral Position in BioAnalytical Mass Spectrometry The Biological Mass Spectrometry Facility at the Samuel Roberts Noble Foundation seeks a postdoctoral fellow to participate in our new functional genomics program. This program includes proteomic and metabolomic studies of the model plant legume, Medicago truncatula. Responsibilities will include protein/metabolite extraction; protein/metabolite profiling using 2D PAGE, HPLC, CE, and protein/metabolite identification using modern MS techniques. Fundamental MS research will also be encouraged. The ideal candidate will have a Ph.D. in a related field and posses exceptional knowledge and experience in one or more of the following areas: protein extraction/purification, 2D-PAGE electrophoresis, and/or mass spectrometry. The newly established Biological MS Facility is located within the Plant Biology division whose mission is to enhance plant quality and productivity through fundamental research and applied biotechnology. The BMS facility has a current inventory consisting of a PerSeptive Biosystems DE-Super STR MALDI-TOF-MS, a Bruker Esquire ESI/APCI/Nanospray LC/ITMS, Hewlett Packard 1100 HPLC with PDA, BioRad 2D PAGE systems, ABI Capillary electrophoresis, and a Dionex HPLC. Subject to satisfactory performance, the appointment will be for 2 years with the possibility of third year by mutual consent. Interested candidates are encourage to apply online at http://www.noble.org or submit a current curriculum vitae and list of references (including Name, affiliation, email, and telephone numbers) to: Jane Nance Human Resources The Samuel Roberts Noble Foundation P.O. Box 2180 Ardmore, OK 73402 Additional information concerning The Noble Foundation or the position can be obtained via email from Lloyd Sumner ( lwsumner@noble.org). Review of applications will begin February 15, 2000 and continue until the position is filled. The S.R. Noble Foundation is a private philanthropic research foundation with approximately 200+ employees and is located in Ardmore, OK. Ardmore is snuggled in the foothills of the Arbuckle Mountains and offers a rural atmosphere with abundant outdoor recreational activities. In addition, Ardmore offers easy access to major metropolitan areas such as Dallas, TX and Oklahoma City. Lloyd W. Sumner, Ph.D. Head, Biological Mass Spectrometry The Samuel Roberts Noble Foundation PO Box 2180 2510 Sam Noble Parkway Ardmore, OK 73402 Voice 580-221-7392 Fax 580-221-7380 Email lwsumner@Noble.Org ****************************************************************************** From: "debe" Date: Tue, 18 Jan 2000 23:44:55 +0100 Subject: Newsgroups on natural product chemistry Organization: sunrise communications ag Hi there Please excuse my "out of topic" question on your newsgroup but I'm totally new on it and I'd like to get informations on natural product chromatography (HPLC-/GC/CE-MS) but I don't know exactly where or how to start. I already searched my host (news.spectraweb.ch) but without much satisfaction. Is there anybody out there who could help a novice like I am? Thank you very much & all the best, Bertold debe@freesurf.ch ****************************************************************************** From: kontiki3136@my-deja.com Date: Wed, 19 Jan 2000 03:03:25 GMT Subject: Re: Data conversion Organization: Deja.com - Before you buy. In article <8628rv$lla@catapult.gatech.edu>, "Stephen McClean" wrote: } Dear List Members } } We are trying to convert *.RAW data files from the LCQ ion trap } mass spectrometer to a format that will be compatible with Excel } or similar spreadsheet packages. The aim of this work is the } mathematical comparison of two or more separate files for common } ions at common retention times. } } Typically LC MS data is used, however using ANDI, ICIS and ASCII } conversion we have been unable to successfully convert the files to } a format which retains retention time, m/z and ion intensity data. } } Any help in this matter would be gratefully received. It's usually safe to convert a file into dBase (*.DBF) format if you intend to use it in some other process, since pretty much anything can read that format (Excel certainly can). I'm not familiar with your input files, but ParseRat (http://www.guysoftware.com/parserat.htm) is a generic parser/converter that can extract usable data from just about anything, provided there is at least SOME consistency of structure in the data. Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: "William T. Moore" Subject: Triple Quad For Sale Date: Tue, 18 Jan 2000 13:41:49 +0200 Organization: * Micromass Quattro I (seven years old) for sale. $15,000 or best offer. Triple Quad instrument with electrospray and FAB sources. In working condition and well-maintained. Ideal for synthetic peptide characterization or drug characterization. We need to send it off quickly by the 25th of January otherwise it will be dismantled and ware-housed. Contact either Dr. John Lambris or Dr. Bill Moore at 215-746-5762 or below: William T. Moore, Ph.D. Senior Research Investigator & Technical Director Protein Chemistry Laboratory The School of Medicine University of Pennsylvania 401A Stellar-Chance Philadelphia, PA 19104-6100 215-746-5761 or 5766 FAX: 215-573-8738 ****************************************************************************** From: David Stranz Date: Wed, 19 Jan 2000 09:00:03 -0800 Subject: Re: Data conversion Organization: Sierra Analytics, LLC I'm afraid that DBF and ParseRat aren't going to get you anywhere. LCQ data files are binary, and most of the general-purpose parsers work on ASCII files. Have you contacted Thermo/Finnigan? They might already have what you want. If you are running XCalibur, and have any skills at Visual Basic programming, you can write your own data extraction/conversion utility using their "XRawfile" OCX (ActiveX control). If this control isn't installed on your LCQ data system, they might be able to provide it to you. Look in the NT Registry using the Registry Editor program for "XRAWFILE.XRawfileCtrl.1" under the HKEY_CLASSES_ROOT key. Alternatively, look for XRawfile.ocx in XCalibur\system\programs subdirectory. The documentation is in the XCalibur\system\programs subdirectory, XRawfileOCX.doc. It is a bit cryptic, and the examples are in C++, but all the functions to get the data in any file are there. On Wed, 19 Jan 2000 03:03:25 GMT, kontiki3136@my-deja.com wrote: }In article <8628rv$lla@catapult.gatech.edu>, } "Stephen McClean" wrote: }} Dear List Members }} }} We are trying to convert *.RAW data files from the LCQ ion trap }} mass spectrometer to a format that will be compatible with Excel }} or similar spreadsheet packages. The aim of this work is the }} mathematical comparison of two or more separate files for common }} ions at common retention times. }} }} Typically LC MS data is used, however using ANDI, ICIS and ASCII }} conversion we have been unable to successfully convert the files to }} a format which retains retention time, m/z and ion intensity data. }} }} Any help in this matter would be gratefully received. } }It's usually safe to convert a file into dBase (*.DBF) format if you }intend to use it in some other process, since pretty much anything can }read that format (Excel certainly can). } }I'm not familiar with your input files, but ParseRat }(http://www.guysoftware.com/parserat.htm) is a generic parser/converter }that can extract usable data from just about anything, provided there is }at least SOME consistency of structure in the data. } } }Sent via Deja.com http://www.deja.com/ }Before you buy. } ****************************************************************************** From: kottenhahn@icdd.com Date: Wed, 19 Jan 2000 17:42:00 GMT Subject: 2000 Denver X-ray Conference will be held July 31 - August 4 Organization: Denver X-ray Conference - WWW.DXCICDD.COM The Denver X-ray Conference is the leading forum for scientists working in the field of X-ray materials analysis providing a site for discussions of state-of-the-art techniques and indications for future developments in X-ray analysis. The 2000 Denver X-ray Conference will be held July 31 - August 4 at the Denver Marriott Tech Center Hotel, Denver, Colorado, U.S.A. Detailed conference information and a tentative program is available on the Denver X-ray Conference web page at http://www.dxcicdd.com. For further information, please contact Denise Flaherty, Conference Coordinator, ICDD, 12 Campus Blvd., Newtown Square, PA 19073-3273, Phone: 610-325-9814, Fax: 610-325-9823, E-mail: flaherty@icdd.com. -- International Centre for Diffraction Data www.icdd.com, www.dxcicdd.com, www.ixas.org webmaster@icdd Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: kontiki3136@my-deja.com Date: Thu, 20 Jan 2000 02:55:42 GMT Subject: Re: Data conversion Organization: Deja.com - Before you buy. In article <864tap$53@catapult.gatech.edu>, David Stranz wrote: } I'm afraid that DBF and ParseRat aren't going to get you anywhere. LCQ } data files are binary, and most of the general-purpose parsers work on } ASCII files. Actually, ParseRat can handle most binary files quite well - it can also allow for "endianism" (i.e. it can handle Motorola pattern binary as well as Intel-pattern binary). Of course, you do have to have some idea of what data is in there. ParseRat can help you in a "trial and error" process to determine record and field structure. Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: toffana@teleline.es Date: Thu, 20 Jan 2000 13:24:46 +0100 Subject: Autotunig HP 5970 stopped Organization: * Dear collegues, I have a old HP 5970 MSD. When I run the Autotune program, after the Ion Repeller, Ion Source, etc. calibration, the system gives me the message "Could not find peaks for mass axis calibration", so the autotune stops. The ion source is clean, the filament is OK, the pressure is OK, the calibration vial and PFTBA are OK, the helium flow is OK..... The 69, 219 and 502 abundances, reported by the system before stopping the autotune are 22000, 16000 and 2500 respectively. Have anybody an idea to solve the problem? I have tried, for instance, to calibrate the system tuning only 2 masses (69 and 219), to put a higher and lower flow, ..... but without success. Thank you very much in advance. Leandro Picabea, PhD Instituto de Medicina Legal y Ciencias Forenses Universidad de Sevilla (SPAIN) Avd. Sanchez Pizjuan, 4 41003 Seville toffana@teleline.es Phone: +34 954 55 98 38 Fax: +34 954 37 26 76 ****************************************************************************** From: Isabelle CARLETTI Date: Thu, 20 Jan 2000 13:42:34 +0100 Subject: Re: Newsgroups on natural product chemistry Organization: =?iso-8859-1?Q?Universit=E9?= de Nice Sophia Antipolis hello, I work in marine natural product chemistry (PhD at University of Nice, France) if you find this newsgroup, can you say me please... ----------------------------------- Isabelle CARLETTI LPTE Université de Nice-Sophia Antipolis faculté des Sciences - Parc Valrose 06108 NICE cedex 02 FRANCE carletti@unice.fr ----------------------------------- ****************************************************************************** From: "Phil" Date: Thu, 20 Jan 2000 11:50:26 +0100 Subject: Re: Data conversion Organization: CompuServe Interactive Services I put up together a utility to achieve this. It's on its way to Stephen who will check it. The output format is somewhat simple, including the Scan number and its RT followed by a list of the mass-abundance pairs. However this format is not fixed and can be modified on demand. This is a user-contributed utility and Thermoquest is not be responsible for any misbehavior, should any bug appear. Should anyone be interested, pls let me know. Philippe Levi ThermoQuest France ph_levi@compuserve.com ****************************************************************************** From: "Peter" Date: Thu, 20 Jan 2000 16:08:56 +0100 Subject: Re: Data conversion Organization: KUN OC MS Maybe Frank Antolasic who writes the WSearch family of programs can help you. frank.antolasic@rmit.EDU.AU Peter M. van Galen mailto:pvang@sci.kun.nl Research Assistant Mass Spectrometry Organic Chemistry Department, Nijmegen University Toernooiveld 1, 6525 ED Nijmegen \|/ ©© ------------oOOo-(_)-oOOo---------------------- Hiroshima 45, Tsjernobyl 86, Windows 98. Windows 00 would be overkill ! "Stephen McClean" wrote in message news:8628rv$lla@catapult.gatech.edu... } Dear List Members } } We are trying to convert *.RAW data files from the LCQ ion trap } mass spectrometer to a format that will be compatible with Excel } or similar spreadsheet packages. The aim of this work is the } mathematical comparison of two or more separate files for common } ions at common retention times. } } Typically LC MS data is used, however using ANDI, ICIS and ASCII } conversion we have been unable to successfully convert the files to } a format which retains retention time, m/z and ion intensity data. } } Any help in this matter would be gratefully received. } } Sincerely } } Stephen McClean } } } } } ------------------------------------------------------ } Dr Stephen McClean } School of ABCS, University of Ulster } Coleraine Co Londonderry, BT52 1SA, UK } Tel: ++44 (0)1265 324767 Fax: ++44 (0) 1265 324906 } http://www.geocities.com/stephenmcclean } ------------------------------------------------------ } "Except a man be born again, he cannot see the } kingdom of God." John 3:3 } ****************************************************** } } } ****************************************************************************** From: "Roland Burton" Date: Thu, 20 Jan 2000 11:47:26 -0800 Subject: Hp5989a, HP-UX data system Organization: ITServices, University of British Columbia Our 5989A GC-MS data system, based on the HP-UX operating system, has been undergoing a slow death for several years and is now completely unuseable. Is there any economical way we can get another years use ofut of this machine by replacing the data system, or should we attempt to repair the old data system? Roland Burton Mass Spectrometrist Faculty of Pharmaceutical Sciences University of British Columbia Vancouver, Canada ****************************************************************************** From: "Antony Williams" Subject: Re: data conversion Date: Thu, 20 Jan 2000 16:45:43 -0600 Organization: * Check out ACD/MS Manager... http://www.acdlabs.com/products/spec_lab/exp_spectra/ms/ It exports ASCII format for imported RAW files }Dear List Members } }We are trying to convert *.RAW data files from the LCQ ion trap }mass spectrometer to a format that will be compatible with Excel }or similar spreadsheet packages. The aim of this work is the }mathematical comparison of two or more separate files for common }ions at common retention times. } }Typically LC MS data is used, however using ANDI, ICIS and ASCII }conversion we have been unable to successfully convert the files to } a format which retains retention time, m/z and ion intensity data. } }Any help in this matter would be gratefully received. } }Sincerely } }Stephen McClean } }------------------------------------------------------ }Dr Stephen McClean }School of ABCS, University of Ulster }Coleraine Co Londonderry, BT52 1SA, UK }Tel: ++44 (0)1265 324767 Fax: ++44 (0) 1265 324906 }http://www.geocities.com/stephenmcclean }------------------------------------------------------ }"Except a man be born again, he cannot see the }kingdom of God." John 3:3 ****************************************************** Dr Antony Williams, B.Sc. Ph.D, Advanced Chemistry Development, US Office, 20 Overland Trail, West Henrietta, NY-14586 Office 716-321-3528 Cellular 716-820-0983 FAX 716-321-3528 Email tony@acdlabs.com Personal Email tony@sciseek.com Head office 416-368-3435 Support 416-368-3445 Support support@acdlabs.com ************************************* ****************************************************************************** From: jweakland@onsite-env.com Date: Thu, 20 Jan 2000 23:52:52 GMT Subject: Finnigan Magnum Ion Trap Organization: Deja.com - Before you buy. Well one of these old bad boys has been "given" to me to use at work. We are having a lot problems with tuning, and in general working with the old hardware and software. I was wondering if anyone knew of a good resource for working on these instruments either through books or people. Unfortunately we have been spoiled with HP 5972s and know very little about Finnigan mass spectrometers. Any assistance would be appreciated. Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: Steve Ivkov Date: Thu, 20 Jan 2000 17:20:18 -0600 Subject: Re: Data conversion Organization: Posted via Supernews, http://www.supernews.com Dear Stephen, Where you problem is? Call ...\XCalibur\system\programs\XConvert.exe (54 KB) and convert enjoy it! Steve Stephen McClean wrote: } Dear List Members } } We are trying to convert *.RAW data files from the LCQ ion trap } mass spectrometer to a format that will be compatible with Excel } or similar spreadsheet packages. The aim of this work is the } mathematical comparison of two or more separate files for common } ions at common retention times. } } Typically LC MS data is used, however using ANDI, ICIS and ASCII } conversion we have been unable to successfully convert the files to } a format which retains retention time, m/z and ion intensity data. } } Any help in this matter would be gratefully received. } } Sincerely } } Stephen McClean } } ------------------------------------------------------ } Dr Stephen McClean } School of ABCS, University of Ulster } Coleraine Co Londonderry, BT52 1SA, UK } Tel: ++44 (0)1265 324767 Fax: ++44 (0) 1265 324906 } http://www.geocities.com/stephenmcclean } ------------------------------------------------------ } "Except a man be born again, he cannot see the } kingdom of God." John 3:3 } ****************************************************** ****************************************************************************** From: "Jean-Yves COLLE" Date: Fri, 21 Jan 2000 11:20:40 +0100 Subject: pressure reduction Organization: ITU Karlsruhe (EURATOM) Does anyone know where can I get informations about a pressure reduction device, to make mass spectrometry (TOF) with vapor at atmospheric pressure best regards JYC Institut für Transurane Jean-Yves COLLE Forschungszentrum Karlsruhe Hermann von Helmholtz Platz 1 Forschungsgelände / Gebäude 808 POSTFACH 2340 D-76125 KARLSRUHE tel:0049(0)7247/951416 fax:0049(0)7247/951198 E-MAIL: colle@itu.fzk.de ****************************************************************************** From: "Andrea Garcia" Date: Fri, 21 Jan 2000 07:47:29 -0800 Subject: MALDI Organization: UUNET Hi Everyone, I am trying to determine a suitable method for detecting amiodarone concentrations in human tissue using either MALDI-TOF or ESI. Any suggestions would be greatly appreciated! Thanks, Andrea Garcia ag8543@usip.edu ****************************************************************************** From: Gary Valaskovic Date: Fri, 21 Jan 2000 08:57:09 -0400 Subject: Re: Data conversion Organization: New Objective, Inc. Philippe, I would be most thankful if you could forward a copy of the utility that you sent to Stephen McClean. address to: garyv@newobjective.com Thank you, Gary Valaskovic -- http://www,newobjective.com New Objective, Inc. 763 D Concord Ave. Cambridge MA, 02138 Voice: 617-576-2255 Fax: 617-576-2266 ****************************************************************************** From: "Andy Yakuboff" Date: Fri, 21 Jan 2000 09:13:52 -0500 Subject: Re: Hp5989a, HP-UX data system Organization: AT&T WorldNet Services Roland, It is very likely that your 5989A is old enough that it has a smartcard-I as the interface card to the data system. If you could obtain a smartcard II and the associated cabling (perhaps from a used parts vendor (Alpha Omega?)), you could get off the HP-UX platform and take advantage of a PC-based data system. The software wouldn't be current, and you may have to purchase it used, but you'd actually find it quite a bit more advanced than the HP-UX software. The hardware for your HP-UX data system is probably approaching 10 years old (not necessarily meaning YOU'VE had it 10 years) which means it may have reached HP's end-of-support life, making repairs very difficult. Computer hardware 'typically' has a 5 year support life dated from the last time a model was manufactured. Good luck, Andy Yakuboff Roland Burton wrote in message news:867rcn$ndn@catapult.gatech.edu... } Our 5989A GC-MS data system, based on the HP-UX operating system, has been } undergoing a slow death for several years and is now completely unuseable. } Is there any economical way we can get another years use ofut of this } machine by replacing the data system, or should we attempt to repair the old } data system? } } Roland Burton } Mass Spectrometrist } Faculty of Pharmaceutical Sciences } University of British Columbia } Vancouver, Canada } } } } } ****************************************************************************** From: "Andy Yakuboff" Date: Fri, 21 Jan 2000 09:26:45 -0500 Subject: Re: Autotuning HP 5970 stopped Organization: AT&T WorldNet Services What may have occurred is that your A8 quad driver board may be so far out of adjustment that during that portion of the tuning algorithm, one of the mass assignments for the 69,219, and 502 (probably 502) peaks may be outside the window the tune program is expecting. If you were to manually calibrate the mass axis, and found the mass axis GAIN was severely away from 0 in order to get the peaks assigned correctly, this would confirm it. I personally would define 'severely away from 0' as >+150 or >-150. When the board is adjusted by a service engineer, the potentiometer is adjusted to obtain a value as close to zero as possible. You may want to refer to your old autotunes to see if perhaps the mass axis gain voltage was starting to get too far away from zero. If so, place a service call to have the quad driver adjusted, or possibly replaced. Good luck, Andy Yakuboff wrote in message news:8673jd$him@catapult.gatech.edu... } Dear collegues, } } I have a old HP 5970 MSD. When I run the Autotune program, after the Ion } Repeller, Ion Source, etc. calibration, the system gives me the message } "Could not find peaks for mass axis calibration", so the autotune stops. } } The ion source is clean, the filament is OK, the pressure is OK, the } calibration vial and PFTBA are OK, the helium flow is OK..... The 69, } 219 and 502 abundances, reported by the system before stopping the } autotune are 22000, 16000 and 2500 respectively. } Have anybody an idea to solve the problem? I have tried, for instance, } to calibrate the system tuning only 2 masses (69 and 219), to put a } higher and lower flow, ..... but without success. } } Thank you very much in advance. } } Leandro Picabea, PhD } Instituto de Medicina Legal y Ciencias Forenses } Universidad de Sevilla (SPAIN) } Avd. Sanchez Pizjuan, 4 } 41003 Seville } toffana@teleline.es } Phone: +34 954 55 98 38 } Fax: +34 954 37 26 76 } } } } ****************************************************************************** From: Webmaster Date: Fri, 21 Jan 2000 15:26:33 +0100 Subject: linkcenter with new database Organization: Uni-Potsdam Hallo, we proudly present our Linkcenter with a new (MySQL)- Database for more faster acess. Steffen URL? Not Known :-( http://www.chem.uni-potsdam.de/linkcenter/ ****************************************************************************** From:"KRIS (Kristine Swiderek)" Date: Thu, 20 Jan 2000 16:55:05 -0800 Subject: Position open Organization: * ZymoGenetics is seeking an experienced Scientist/Senior Scientist level protein chemist with a very strong background in analytical mass spectrometry and related disciplines for the characterization of proteins and peptides. Extensive experience in ion-trap, MALDI-TOF, tandem mass spectrometry, microspray LC-MS, SEC-MALLS including all data handling and reduction is imperative. Hands-on experience in the wide variety of sample preparation including high sensitivity and low amount sample handling techniques is a must. The candidate will be asked to provide proactively support for the evaluation of structure - function relationships of proteins as well as the identification of associated protein such as the characterization of hetero- and homo-dimeric and multimeric protein structures and receptor/ligand interactions. The candidate will be required to provide technical guidance which includes the operation and maintenance of the existing instrumentation as well as technology/methodology development and implementation. The successful candidate will report to the director of the Protein Biochemistry Department and will actively work with a group of Research Associates. Experience in directing the efforts of a small team is desirable. Relevant knowledge should be demonstrated by publications, presentations and/or relevant provable industrial experience. Please submit your CV to the Human Resource Department at Zymogenetics indicating the reference number 33R100. Kristine Swiderek Assoc. Research Director, Department of Protein Biochemistry ZymoGenetics, Inc. 1201 Eastlake Ave. E Seattle, WA 98102 Phone: (206)515-4901 Fax: (206)442-6608 e-mail: swiderek@zgi.com ****************************************************************************** From: "KRIS (Kristine Swiderek)" Date: Thu, 20 Jan 2000 16:55:05 -0800 Subject: Position open Organization: * ZymoGenetics is seeking an experienced Scientist/Senior Scientist level protein chemist with a very strong background in analytical mass spectrometry and related disciplines for the characterization of proteins and peptides. Extensive experience in ion-trap, MALDI-TOF, tandem mass spectrometry, microspray LC-MS, SEC-MALLS including all data handling and reduction is imperative. Hands-on experience in the wide variety of sample preparation including high sensitivity and low amount sample handling techniques is a must. The candidate will be asked to provide proactively support for the evaluation of structure - function relationships of proteins as well as the identification of associated protein such as the characterization of hetero- and homo-dimeric and multimeric protein structures and receptor/ligand interactions. The candidate will be required to provide technical guidance which includes the operation and maintenance of the existing instrumentation as well as technology/methodology development and implementation. The successful candidate will report to the director of the Protein Biochemistry Department and will actively work with a group of Research Associates. Experience in directing the efforts of a small team is desirable. Relevant knowledge should be demonstrated by publications, presentations and/or relevant provable industrial experience. Please submit your CV to the Human Resource Department at Zymogenetics indicating the reference number 33R100. Kristine Swiderek Assoc. Research Director, Department of Protein Biochemistry ZymoGenetics, Inc. 1201 Eastlake Ave. E Seattle, WA 98102 Phone: (206)515-4901 Fax: (206)442-6608 e-mail: swiderek@zgi.com ****************************************************************************** From: Gunter Kuhnle Date: 21 Jan 2000 17:30:28 +0100 Subject: Re: Newsgroups on natural product chemistry Organization: Uni Leipzig Isabelle CARLETTI writes: } hello, } I work in marine natural product chemistry (PhD at University } of Nice, France) if you find this newsgroup, can you say me please... I am working on natural products with MS, too. Maybe we could start a mailing list, if there are some more people interested? Gunter -- Hi! I'm a .signature virus! Copy me into your ~/.signature to help me spread! ****************************************************************************** From: rehaufler@my-deja.com Date: Fri, 21 Jan 2000 17:22:05 GMT Subject: Re: pressure reduction Organization: Deja.com - Before you buy. It depends on the response that you need. You can use a section of capillary tubing, a varian leak valve, some other kind of arrangement. You may try calling Vacuum Technology Inc 1003 Alvin Weinberg Dr Oak Ridge, TN 37830 (423) 481-3342 They can build a purged sampler with pressure reduction for you that will give you the pressure reduction that you need as well as the response. } } Does anyone know where can I get informations about a pressure } reduction device, to make mass spectrometry (TOF) with vapor at } atmospheric pressure } } best regards } JYC } } Institut für Transurane } Jean-Yves COLLE } Forschungszentrum Karlsruhe } Hermann von Helmholtz Platz 1 } Forschungsgelände / Gebäude 808 } POSTFACH 2340 } D-76125 KARLSRUHE } tel:0049(0)7247/951416 } fax:0049(0)7247/951198 } E-MAIL: colle@itu.fzk.de } } Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: Rick Troendle Date: Fri, 21 Jan 2000 17:50:08 GMT Subject: Re: MALDI Organization: Deja.com - Before you buy. In article <869ok7$8ij@catapult.gatech.edu>, "Andrea Garcia" wrote: } Hi Everyone, } I am trying to determine a suitable method for detecting amiodarone } concentrations in human tissue using either MALDI-TOF or ESI. Any } suggestions would be greatly appreciated! } Thanks, } Andrea Garcia } ag8543@usip.edu } } MALDI is not considered a great ionization process for the concentration dependent (quantitation) analysis of compounds. Too much variation in laser shots, too dependent on specific interaction of analyte with matrix (the tissue in this case, as well as the applied matrix). Quantitative analysis can be done, but usually requires the introduction of an internal standard. Since the matrix effect can be dramatic, the internal standard is usually a deutrium based standard (so matrix interaction and ionization effeciency is essentially the same for analyte and standard). The choice of matrix would be simply based on laser irradiation used (UV or IR) and common solvent for analyte and matrix. Additional considerations would involve possible tissue ion interference with analyte ion and possible matrix ion interference with analyte ion (same m/z)(without of course separation steps prior to MALDI preparation--extraction from tissue or LC separation). Good Luck -- "Let be be finale of seem. The only emperor is the emperor of ice-cream" Wallace Stevens-1923 ==================================== Sent via Deja.com http://www.deja.com/ Before you buy. ****************************************************************************** From: "M Sweeney - MSMS Consulting" Date: Fri, 21 Jan 2000 20:49:11 GMT Subject: Re: MALDI Organization: EarthLink Network, Inc. Andrea Amiodarone has the nice looking Nitrogen (-N< ) which should allow it to be charged (+) in a slightly acidic solution. I'd try an RP HPLC system using 0.1 % formic acid and either meoh or acn. The addition of 2-10 mM NH4formate may help if tailing is a problem. I'd look for a RP phase that takes care of the tendency for bases to tail however (there are many from all vendors). I'd do it with a short column to increase throughput (20-50mm). A 2mm id would be nice but depending on the sample you might prefer 4.6mm. Although this may be too short for many UV based assays the use of MS/MS, or even MS may give the specificity required. That is the HPLC system. The HPLC method is tailored for the expected good response by ESI. The compound should yield a nice M+ ion. Not a M+H as it is charged at low pH. Prior to running by HPLC the compound should be looked at by infusion and or loop injection (FIA) to optimize the source conditions to maximize the signal of the M+. That's tuning. Then if MS/MS is available the compound can be investigated for the best MS/MS conditions. The best conditions might be those which produce the maximum signal for a characteristic high intensity progeny ion. Once these are determined the mass spec can be set up for the SRM. M+>progeny ion which will be monitored during the assay. Sample prep issues are addressed many different ways. Perhaps you can look at the HPLC method cited in the Merck Index HPLC determn in plasma: M. De Smet, D.L. Massart, J. Pharm Biomed Anal. 6, 277 (1989). The Merck lists many other refs that may be of help. A literature search would most likely yield some other methods. Perhaps some use MS. Good luck, Best Wishes Please write if you have any questions or comments. Matt Sweeney mattsweeney@earthlink.net Mass Spec Consulting Training/Operations/Consulting/Method Development LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, Maintenance Classes, Specialist in Finnigan Equipment and Software }Andrea Garcia wrote in message <869ok7$8ij@catapult.gatech.edu>... }Hi Everyone, } I am trying to determine a suitable method for detecting amiodarone }concentrations in human tissue using either MALDI-TOF or ESI. Any }suggestions would be greatly appreciated! }Thanks, }Andrea Garcia }ag8543@usip.edu ****************************************************************************** From: "Jack A. Syage" Date: Fri, 21 Jan 2000 15:24:14 -0800 Subject: Applications Chemist / Mass Spectrometry Organization: Syagen Technology Applications Chemist / Mass Spectrometry (Ph.D., MS or BS with 2-5 yr experience): Syagen Technology is a young company in Southern California developing new technology in mass spectrometry for applications ranging from explosives detection for aviation security to high throughput chemical analysis for drug discovery. The candidate is expected to operate and optimize prototype instruments and products. The candidate should have a strong working knowledge of chemistry and ion processes and have experience in sample preparation and handling. Familiarity with commercial MS software and data base handling is desired. Please mail, fax or email your resumes and reference list to: Syagen Technology, Inc., 1411 Warner Ave., Tustin, CA 92780 fax 714 258-4404, info@syagen.com, attn: Jack A. Syage. ****************************************************************************** From: "Jack A. Syage" Date: Fri, 21 Jan 2000 15:23:08 -0800 Subject: Analytical Chemist / Mass Spectrometry Organization: Syagen Technology Analytical Chemist / Mass Spectrometry (Ph.D., MS or BS with 2-5 yr experience): Syagen Technology is a young company in Southern California developing new technology in mass spectrometry for applications ranging from explosives detection for aviation security to high throughput chemical analysis for drug discovery. The candidate is expected to take a leading role in the development of an automated, high-throughput sampling system for combinatorial drug libraries. Experience with the following technologies is highly desirable: electrospray ionization, APCI, nebulizers, HPLC, TOFMS, robotics. Industry experience, particularly in product development, is also highly desirable. Please mail, fax or email your resumes and reference list to: Syagen Technology, Inc., 1411 Warner Ave., Tustin, CA 92780 fax 714 258-4404, info@syagen.com, attn: Jack A. Syage. ****************************************************************************** From: Merlin Date: Sat, 22 Jan 2000 20:13:17 GMT Subject: Re: Newsgroups on natural product chemistry Organization: Merlin's Laboratory I agree on the initiation of such a newsgroup. There are others available, but one more couldn't hurt.... Cheers! -- George D. 'Merlin' McCallion, Research Chemist Department of Anesthesiology The Children's Hospital of Philadelphia Post Office Box 143 Bala-Cynwyd, PA 19004-0143 Office: 1.215.590.6894 Fax: 1.215.590.4443 Email: medchem@home.com ****************************************************************************** From: Gunter Kuhnle Date: 22 Jan 2000 22:35:12 +0100 Subject: Re: Newsgroups on natural product chemistry Organization: Uni Leipzig Merlin writes: } I agree on the initiation of such a newsgroup. } } There are others available, but one more couldn't hurt.... As there seems to be some interest in a natural product chemistry/mass spectrometry mailing-list or newsgroup, I am going to set up a mailing list. You can send a message to natp_ms@assel2.biow.uni-leipzig.de to subscribe. Maybe it would also be usefull to exchange (fragment) spectra of several natural products - I could provide some space (and a simple kind of search engine), too. Gunter -- Hi! I'm a .signature virus! Copy me into your ~/.signature to help me spread! ****************************************************************************** From: "M Sweeney - MSMS Consulting" Date: Sun, 23 Jan 2000 19:33:24 GMT Subject: Re: MALDI Organization: EarthLink Network, Inc. Oh god one "stupid" error and three additions. stupid error - the nitrogen is bonded 3x and the addition of a proton in acidic media means it will give M+1 and not M+. addition #1 - after the lc method is worked out and the ms/ms conditions determined by infusion most likely, the source tuning needs to be done by FIA into a flowing solvent stream at the gas/temp settings and flow rate the assay will be run at. addition #2 - samples of biological origin will most likely be salty. Therefore the void volume should be diverted to waste to improve ruggedness and avoid clogging the orifice of the ms. a divert valve programmed to switch the flow from the source is most often used. addition #3 - matrix blanks should be run. the std curve should be made up in matrix as well. so these need to be prepared as well in larger amounts to allow doing this. A std curve in pure solution is nice also to help trouble shoot any matrix related issues. Matt Sweeney mattsweeney@earthlink.net Mass Spec Consulting Training/Operations/Consulting/Method Development LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, Maintenance Classes, Specialist in Finnigan Equipment and Software M Sweeney - MSMS Consulting wrote in message <86aohn$ad4@catapult.gatech.edu>... }Andrea }Amiodarone has the nice looking Nitrogen (-N< ) which should allow it to }be charged (+) in a slightly acidic solution. I'd try an RP HPLC system }using 0.1 % formic acid and either meoh or acn. The addition of 2-10 mM }NH4formate may help if tailing is a problem. I'd look for a RP phase that }takes care of the tendency for bases to tail however (there are many from }all vendors). I'd do it with a short column to increase throughput }(20-50mm). A 2mm id would be nice but depending on the sample you might }prefer 4.6mm. Although this may be too short for many UV based assays the }use of MS/MS, or even MS may give the specificity required. That is the }HPLC system. } }The HPLC method is tailored for the expected good response by ESI. The }compound should yield a nice M+ ion. Not a M+H as it is charged at low pH. }Prior to running by HPLC the compound should be looked at by infusion and or }loop injection (FIA) to optimize the source conditions to maximize the }signal of the M+. That's tuning. Then if MS/MS is available the compound }can be investigated for the best MS/MS conditions. The best conditions }might be those which produce the maximum signal for a characteristic high }intensity progeny ion. Once these are determined the mass spec can be set }up for the SRM. M+>progeny ion which will be monitored during the assay. } }Sample prep issues are addressed many different ways. Perhaps you can look }at the HPLC method cited in the Merck Index } }HPLC determn in plasma: M. De Smet, D.L. Massart, J. Pharm Biomed Anal. 6, }277 (1989). } }The Merck lists many other refs that may be of help. A literature search }would most likely yield some other methods. Perhaps some use MS. } }Good luck, Best Wishes }Please write if you have any questions or comments. } }Matt Sweeney }mattsweeney@earthlink.net }Mass Spec Consulting }Training/Operations/Consulting/Method Development }LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, }Maintenance Classes, Specialist in Finnigan Equipment and Software } } }}Andrea Garcia wrote in message <869ok7$8ij@catapult.gatech.edu>... }}Hi Everyone, }} I am trying to determine a suitable method for detecting amiodarone }}concentrations in human tissue using either MALDI-TOF or ESI. Any }}suggestions would be greatly appreciated! }}Thanks, }}Andrea Garcia }}ag8543@usip.edu } } } } ****************************************************************************** From: "Stephen McClean" Date: Mon, 24 Jan 2000 13:46:36 -0000 Subject: Re: Data Conversion - Thanks! Organization: University of Ulster Dear List Members To all who offered suggestions regarding conversion of *.RAW files from the LCQ ion trap, I extend my thanks. Many replies were received and I appreciate the time taken over the responses. We had already tried the Xcalibur file convert, but needed something to do a little more work with the data. Philippe Levi from Thermoquest, France has written a very useful utility which converts the raw file to text, but also allows the operator to only convert a specified range of the overall scan. This is especially useful for long LC MS analyses. He has also included the option to only select data above a certain intensity thereby removing insignificant background peaks. We are indebted to him for his work on this utility. It may also be useful to other list members. Thanks again for your help. Regards Stephen McClean ------------------------------------------------------ Dr Stephen McClean School of ABCS, University of Ulster Coleraine Co Londonderry, BT52 1SA, UK Tel: ++44 (0)1265 324767 Fax: ++44 (0) 1265 324906 http://www.geocities.com/stephenmcclean ------------------------------------------------------ "Except a man be born again, he cannot see the kingdom of God." John 3:3 ****************************************************** ****************************************************************************** From: Luisa.Rusconi@eu.pnu.com (Luisa Rusconi) Subject: JobOpen: Protein Mass Spectroscopist Date: Mon, 24 Jan 2000 15:09:10 +0100 Organization: * The Department of Biology of Pharmacia and Upjohn has an open position for a highly skilled and experienced Protein Mass Spectroscopist to lead its Protein Chemistry Core Unit within the Biochemistry Laboratory. The Biology Department belongs to a Research Center located in Nerviano, Italy, which comprises more than 250 scientists entirely dedicated to research in the Oncology field. The Biology Department and the Structural Chemistry Department work in close interaction to provide molecular support for Structure -Based Drug Design in the Drug Discovery Process. The primary responsibility of the candidate will be to coordinate the work of the Protein Chemistry Unit, which comprises 3 research scientists and students, is the design and analytical characterization of recombinant proteins produced in the laboratory for x-ray crystallographic and NMR studies. These efforts involve domain mapping by limited proteolysis and the analysis of post-translational modifications by LCMS and MALDI-TOF approaches. The candidate for this position will also be responsible for further development and implementation of instrumentation (MS\MS) and methodologies to investigate the in vivo substrate specificities of target proteins through small scale proteomic approaches. The ideal candidate will hold a PhD and have three to five years of postdoctoral experience in an industrial and\or academic setting with extensive hands on experience in protein mass spectroscopy (LCMS, MALDI-TOF and MS\MS) and sample preparation. Particular emphasis on the analysis of protein-protein interactions will be highly regarded. Interested persons should forward a full CV including the names and contact addresses of three potential references to me at the email address given below. Further information can also be obtained by contacting me directly. Thank you for your consideration Al Stewart Al Stewart PhD Biochemistry Laboratory Department of Biology Pharmacia and Upjohn Nerviano, Italy 20014 Email: albert.stewart@eu.pnu.com Tel: +39 02 4838 3199 ****************************************************************************** From: "Christopher R. Lee" Date: Mon, 24 Jan 2000 20:26:44 GMT Subject: Re: Hp5989a, HP-UX data system Organization: * Ours was migrated to a Win 3.11 Chemstation several years ago (by HP). There were no modifications to the MS. I don't know if they still offer this option. The new Chemstation is not Y2k compliant and there is no update. If that's a problem for you, HP propose to connect by Ethernet a second PC running a more recent GC/MS package and to use the old package only for acquisition. It's all a bit expensive, but the machine is quite reliable, and I've heard that the plug will not be pulled on it before 2004 - unless spares run out before then. Regards Roland Burton a écrit dans le message : 867rcn$ndn@catapult.gatech.edu... } Our 5989A GC-MS data system, based on the HP-UX operating system, has been } undergoing a slow death for several years and is now completely unuseable. } Is there any economical way we can get another years use ofut of this } machine by replacing the data system, or should we attempt to repair the old } data system? } } Roland Burton } Mass Spectrometrist } Faculty of Pharmaceutical Sciences } University of British Columbia } Vancouver, Canada } } } } ****************************************************************************** From: Jason Jones Date: Wed, 26 Jan 2000 14:02:36 +0000 Subject: Instruments for sale Organization: * Instruments for sale: A refurbished VG Fisons Trio-1 GCMS with HP5890 GC and a new MASPEC II32 Data System running on Windows 98/NT. In good working condition. Price 10,000 GBP. A FMAT8200 GCMS with Finnigan 9600 GC and MASPEC Data System running on Windows 95/98. Supplied with FAB gun and large number of spares. Any offers around 10,000 GBP considered. Contact sales@maspec.com Fax:44 161 773 2128 Tel:44 161 798 8611 -- Mass Spectrometry Services Ltd | Email: sales@maspec.demon.co.uk Unit 2a, Mountheath Industrial Park | Web : http:\\www.maspec.demon.co.uk George Street, Prestwich, | Tel : +44-(161) 798 8611 Manchester M25 8WB, UK. | Fax : +44-(161) 773 2128 ****************************************************************************** From: hmh.vaneijk@AH.UNIMAAS.NL Date: Wed, 26 Jan 2000 16:26:47 +0100 Subject: lcms determination of FMOC-amino acids Organization: Universiteit Maastricht We are currently trying to measure the isotopomeric distribution of fmoc derivatizated amino acids on a thermoquest LCQ system using ESI ionization. We observe a severe decrease in mass resolution when measuring these derivatives as compared to other components. Does anyone observed the same effect for FMOC derivatives and could a possible cause be pinpointed? ****************************************************************************** From: Pamela Date: Wed, 26 Jan 2000 13:47:41 -0800 Subject: HPLC/MS/MS and Analysis of Arginine Organization: http://www.remarq.com: The World's Usenet/Discussions Start Here I am conducting some studies for which we would like to analyze arginine for enrichment of 13C and 15N. I had numerous problems when I used the GC-MS. Recently, I have been given the opportunity to use a new electrospray tandem mass spectrometer which has an online HPLC. I was scanning through the Internet for help and came across this discussion group. I have read a number of articles on analyzing amino acids on this type of mass spec but it is unclear how biological samples are done (specifically plasma samples). I was wondering if anyone has a protocol to analyze amino acids in plasma samples and, if so, would you be willing to share that with me? What type of clean up do you do with biological samples? What problelms have you encountered. I appreciate any help you can provide on this matter. Thank you. Pamela Price Postdoctoral Research Fellow Baylor College of Medicine Houston, Texas * Sent from AltaVista http://www.altavista.com Where you can also find related Web Pages, Images, Audios, Videos, News, and Shopping. Smart is Beautiful ****************************************************************************** From: dana_justin Date: Wed, 26 Jan 2000 18:37:57 -0800 Subject: Re: lcms determination of FMOC-amino acids Organization: Prodigy Internet http://www.prodigy.com By coincidence we happen to run similar compounds, namely FMOC-alanine and FMOC arginine as test compounds for our prep LCMS system, so I can truthfully say that our single quad in ESI mode sees these two compounds exactly as we expect to see them and no different to any other test compound. So no help there, sorry!, Justin Withers PE-Sciex (but answering from home) hmh.vaneijk@AH.UNIMAAS.NL wrote: } We are currently trying to measure the isotopomeric distribution of fmoc } derivatizated amino acids on a thermoquest LCQ system using ESI ionization. } We observe a severe decrease in mass resolution when measuring these } derivatives as compared to other components. } Does anyone observed the same effect for FMOC derivatives and could a } possible cause be pinpointed? ****************************************************************************** From: "Hartmut Fischer" Date: Thu, 27 Jan 2000 10:23:26 +0100 Subject: PE-Sciex Biomultiview Organization: T-Online Does anybody know how the deconvolution of the PE-Sciex bio-reconstuct program works, especially what is calculated during the iteration process? H. Fischer ****************************************************************************** From: "M Sweeney - MSMS Consulting" Date: Thu, 27 Jan 2000 14:50:37 GMT Subject: Re: lcms determination of FMOC-amino acids Organization: EarthLink Network, Inc. dr/mr/ms hmh.vaneijk The lcq mode best suited to doing this would be zoom scan. The resolution in zoom scan mode might be improved be decreasing the target values for this mode. The target values are the number of ions which the trap attempts to accumulate before completing a scan. I have seen some variation in behavior of ions within ion traps. This probably reflects the variation in energetic requirements for various pathways. Traps trap - and this means the ions hang around much longer before they are detected. This greater "lifetime" means more things can happen to them. I can't recall a case where I just could NOT do something on a trap that I wanted to do however (except parent scans). If the target adjustment fails to help (it would reduce the population within the trap and allow fewer interactions) then you might try either reducing the ion's energy (reduce cap temp) or making the ion more stable perhaps by using Na+ to ionize it. I usually extensively signal average when I measure isotopic abundance - one can set the LCQ to avg > 10 scans - I set it to 100. This may help the slightly poorer ion statistics resulting from reducing the target for the zoom scan mode. The value usually does not require a very great change. You might start with a 10% reduction in target value. Observe the resolution and then reduce by 10% more if required. And so on. Matt Sweeney mattsweeney@earthlink.net Mass Spec Consulting Training/Operations/Consulting/Method Development LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, Maintenance Classes, Specialist in Finnigan Equipment and Software hmh.vaneijk@AH.UNIMAAS.NL wrote in message <86n6dg$fe1@catapult.gatech.edu>... }We are currently trying to measure the isotopomeric distribution of fmoc }derivatizated amino acids on a thermoquest LCQ system using ESI ionization. }We observe a severe decrease in mass resolution when measuring these }derivatives as compared to other components. }Does anyone observed the same effect for FMOC derivatives and could a }possible cause be pinpointed? } } } } ****************************************************************************** From: Davide Bleiner Date: Thu, 27 Jan 2000 20:03:17 +0100 Subject: 5th European Workshop on Laser Ablation ICP-MS Organization: ETH Zurich 5th European Workshop on Laser Ablation-Inductively Coupled Plasma -Mass Spectrometry June 26.-27. 2000, Laboratory of Inorganic Chemistry, ETH Zürich (Switzerland) Download the submission form at http://www.analytica.ethz.ch Dear Colleagues, Laser Ablation-ICP-MS is one of the fastest growing techniques for direct analysis of solids and the number of applications for major, minor, and trace element determinations as well as isotope ratio analysis increases every day. The experience from workshops in the past (Laser Workshop 1995 (BGS, UK), 1996 (BGRM, France), 1997 and 1999 (BGS)) has shown, how valuable and important the exchange of experience in this fast moving field of analytical science is. The aim of the workshop is to provide a forum for exchange of practical and theoretical knowledge as well as the review of recent developments. The workshop in Zürich will cover main aspects of LA-ICP-MS: * Fundamental studies (ablation process, particle formation and transportation) * Applications (calibration, matrix effects, interferences) which shall be covered by informal presentations of approximately 10 minutes, followed by an equal time of discussion. Reasonably priced accommodation will be arranged locally (three hotels are nearby) and there will be a workshop dinner on evening 26th. Here we will have time for individual and further discussion in a pleasant atmosphere. Travelling to Zürich is straightforward and easy. The airport is located nearby the city center and ETH and can be reached within minutes. Parking space is unfortunately not available at the Institute. The cost of the workshop will be 150 SFr (students 75 SFr), excluding accomodation. If you would like to attend the 5th European Workshop on Laser Ablation-ICP-MS, please go to http://www.analytica.ethz.ch where you can download the submission form. For further information, please contact one of the following two: * Detlef Guenther: guenther@inorg.chem.ethz.ch * Ingo Horn: horn@inorg.chem.ethz.ch I hope to meet You there. -- Davide Bleiner http://www.analytica.ethz.ch/davide ETHZ - Laboratory of Inorganic Chemistry Universitätsstrasse, 6 * CH-8092 Zürich Tel. +41-1-6322868/881 Fax +41-1-6321090 ****************************************************************************** From: "M Sweeney - MSMS Consulting" Date: Fri, 28 Jan 2000 01:19:17 GMT Subject: What is a good walk up MS system for synthetic chemists??? Organization: EarthLink Network, Inc. I would love to get comments from as many people as possible on this subject. I have a customer that is wanting to buy an inexpensive walk up MS system. They are asking me my opinion and I have not had to feed and care for many of the systems that have come and gone over the years. Currently they use a Finnigan quad system with a Gilson215/HPLC to run combichem library plates by API. I would like them to have an API instrument but they are leaning towards the perception that an MSD GC/MS is the way to go. The samples are mostly polar so I have my reservations about the GC/EI/CI part of things. It will be used in the lab by the synthetic chemists and supported by one of them -new to MS. I was thinking about a used system that could be fitted with GC or LC inlets. If you were to by a used VG or Micromass or SCIEX system which would you purchase and what are the service issues? Ideally this system would be priced at less than 70K$ I can give them my advice but I am admittedly biased by my history. I would love to hear your biases. -- Matt Sweeney mattsweeney@earthlink.net Mass Spec Consulting Training/Operations/Consulting/Method Development LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, Maintenance Classes, Specialist in Finnigan Equipment and Software ****************************************************************************** From: dana_justin Date: Thu, 27 Jan 2000 18:09:14 -0800 Subject: Re: PE-Sciex Biomultiview Organization: Prodigy Internet http://www.prodigy.com Hartmut, I work for PE-Sciex, but am far from an expert on this application area. I do, however, know several people who are so I will ask them in the morning. Also, several of us watch this group, so you may get an answer faster than that, Watch this space, Justin Withers Hartmut Fischer wrote: } Does anybody know how the deconvolution of the PE-Sciex bio-reconstuct } program works, especially what is calculated during the iteration process? } } H. Fischer ****************************************************************************** From: "Geoff Wainwright" Date: Thu, 27 Jan 2000 23:00:03 -0000 Subject: Mass accuracy and peptide mass fingerprint results Organization: * Dear Group, I wondered whether anybody could clarify a point regarding the mass accuracy required to successfully query a database (i.e. return your sample protein at the top of the hit list) with user-generated peptide mass fingerprint data. I have heard that there is a limit for mass accuracy above which there is no advantage to be gained (my own experiences also suggest this). Does anybody have any comments, or can they point me in the direction of a suitable publication that discusses this point? Thanks for your time. Geoff Dr. G. Wainwright School of Biological Sciences University of Liverpool Liverpool L69 7ZB United Kingdom Tel (44)151 794 4356 FAX (44)151 794 4349 ****************************************************************************** From: Gunter Kuhnle Date: 28 Jan 2000 10:55:30 +0100 Subject: Re: Newsgroups on natural product chemistry Organization: Uni Leipzig Gunter Kuhnle writes: } You can send a message to } natp_ms@assel2.biow.uni-leipzig.de } to subscribe. Now, a 'real' mailing-list software is running. For this reason, you may subscribe at http://assel2.biow.uni-leipzig.de/cgi-bin/mailman/listinfo/natprod_ms or by sending an e-mail to natprod_ms-request@assel2.biow.uni-leipzig.de containing subscribe [passwd] [nodigest|digest] [passwd] Your password to unsubscribe [(no)digest] Wether you prefer a digested list Gunter -- Hi! I'm a .signature virus! Copy me into your ~/.signature to help me spread! ****************************************************************************** From: "Antony Williams" Date: Thu, 27 Jan 2000 19:18:28 -0600 Subject: Prediction tools to assist Organization: * Just thought you might want to be aware that there are tools available to predict pKa values directly from input chemical structures. THis could help with deciding on MS conditions. See attached GIF for the structure in question. http://www.acdlabs.com/products/phys_chem_lab/pka/ Also, there are tools available for predicting and optimizing LC elution under different conditions http://www.acdlabs.com/products/chrom_lab Another useful article regarding ""An Integrated Desktop Mass Spectroscopy Processing and Molecular Structure Management System"" has been posted at: http://www.acdlabs.com/download/publ/massfin.pdf Tony WIlliams :} :}}Andrea Garcia wrote in message <869ok7$8ij@catapult.gatech.edu>... :}}Hi Everyone, :}} I am trying to determine a suitable method for detecting amiodarone :}}concentrations in human tissue using either MALDI-TOF or ESI. Any :}}suggestions would be greatly appreciated! :}}Thanks, :}}Andrea Garcia :}}ag8543@usip.edu :} :} :} ****************************************************************************** From: "Philippe Mottay" Date: Fri, 28 Jan 2000 08:48:02 -0600 Subject: Detection limit Organization: * I am in the process of analyzing cocaine in urine without sample preparation by GC/MS in Electron Impact (EI). So far the detection limit achieved is 3ng/mL (3pg/µL) and the quantitation limit 10ng/mL (10pg/µL). I have been searching without success for the standard detection limit of cocaine in urine when analyzed by standard GC/MS methods. Can anyone provide me with this info. Thanks Philippe Mottay Mass Evolution, Inc. 330 Meadowfern Dr. # 113 Houston, TX 77067 Tel: (281) 875-6219 Fax: (281) 875-9658 Visit our new web page: http://www.flash.net/~massevo ****************************************************************************** From: Touradj Solouki Date: Fri, 28 Jan 2000 09:56:59 -0500 Subject: postdoc announcement Organization: University of Maine Dear colleagues: I am searching to hire a postdoc to work on a MS related project at the University of Maine. For this project, a newly acquired FT-ICR, GC/MS and other separation instruments will be utilized for structural analysis of various molecules. I am asking for your help to identify suitable candidates for this position. The position is AVAILABLE IMMEDIATELY! Below is a copy of the job announcement for this position that appeared in the winter issue of the ICR Newsletter. ********************************************: We have a position available for an individual with a Ph.D. in chemistry and a specialty in mass spectrometry to participate in the development and application of ultra high-resolution mass spectrometric techniques for the analysis of small organic and inorganic molecules. I am writing to ask your assistance in bringing this postdoctoral position to the attention of interested and qualified applicants. The focus of this project is the rapid detection and identification of various analytes based on FT-ICR exact molecular mass assignment and multistage MSn mass spectrometry. The research will be performed with a newly acquired 7T FT-ICR mass spectrometer. The successful candidate will utilize various ionization methods such as EI, ESI and CI and separation techniques such as gas chromatography. Interested candidates should send a resume and two letters of recommendation to my attention: Dr. Touradj Solouki, 5706 Aubert Hall, Department of Chemistry, University of Maine, Orono, ME 04469. Alternatively, application material may be sent electronically to . This position is available immediately and offers excellent benefits; screening of applications continues until the position is filled. The University of Maine is an affirmative action/equal opportunity employer. Thank you for your assistance! Best regards, Touradj Solouki, Our departmental home page address is http://oldblue.umeche.maine.edu/ChemHome.html (be sure to check out the pretty pictures!) Touradj Solouki, Ph. D. Assistant Professor of Chemistry 5706 Aubert Hall, 359 University of Maine Orono, ME 04469-5706 Tel: (207) 581-1172 Fax: (207) 581-1191 E-mail: Home page: http://oldblue.umeche.maine.edu/~solouki/TSHP11.html ****************************************************************************** From: David Stranz Date: Fri, 28 Jan 2000 16:27:30 -0800 Subject: Re: Mass accuracy and peptide mass fingerprint results Organization: Sierra Analytics, LLC Geoff - Mass accuracy is only one factor in achieving good results in protein database searching. It has much greater dependence on what you present to the database. These criteria all play off each other: 1. The number of peptides presented as part of a query. (Strive for as great a coverage as possible). 2. The accuracy of determination of their masses. 3. The "uniqueness" of the peptides. (In general, higher mass peptides are more likely to be unique). 4. Whether MS/MS data (and thus partial sequence) is available for one or more peptides. 5. Other constraints (protein MW, pI, species, etc.) but most important, if your protein isn't in the database, it will never appear at the top of the list. In general, if you have only MS data, greater mass accuracy will aid greatly in eliminating false positives. Having many peptides with low mass accuracy will succeed in pulling out the really huge proteins from the database, simply because the likelihood of finding matching peptides is higher the bigger the protein. On the other hand, as Matthias Mann and others have demonstrated, sometimes a single peptide with an MS/MS sequence tag is sufficient to unambiguously identify a protein. Places to look for more information on DB searching (names of DB search programs in parentheses): Protana's web site: http://www.protana.com (PepSea) Proteometrics' web site: http://www.proteometrics.com (PROWL) UCSF MS Lab web site: http://prospector.ucsf.edu/ (Protein Prospector) Matrix Science web site: http://www.matrixscience.com (Mascot) Fundamental papers: "Rapid identification of proteins by peptide-mass fingerprinting", D. J. C. Pappin, P. Horjup, and A. J. Bleasby, Current Biology 3(6) 1993 (327-332) "Error-tolerant identification of peptides in sequence databases by peptide sequence tags", M. Mann and M. Wilm, Anal. Chem. 66 (24), 1994 (4390-4399) "From electrophoretically-separated protein to identification: Strategies for sequence and mass analysis", S. D. Patterson, Anal. Biochem. 221, 1994 (1-15) "Identification of the components of simple protein mixtures by high-accuracy peptide mass mapping and database searching", O. N. Jensen, A. V. Podtelejnikov and M. Mann, Anal Chem 69, 1997 (4741-4750) Regards, David Stranz On Thu, 27 Jan 2000 23:00:03 -0000, "Geoff Wainwright" wrote: }Dear Group, } }I wondered whether anybody could clarify a point regarding the mass accuracy }required to successfully query a database (i.e. return your sample protein }at the top of the hit list) with user-generated peptide mass fingerprint }data. I have heard that there is a limit for mass accuracy above which there }is no advantage to be gained (my own experiences also suggest this). Does }anybody have any comments, or can they point me in the direction of a }suitable publication that discusses this point? } }Thanks for your time. } }Geoff } } }Dr. G. Wainwright }School of Biological Sciences }University of Liverpool }Liverpool }L69 7ZB }United Kingdom } }Tel (44)151 794 4356 }FAX (44)151 794 4349 } } ****************************************************************************** From: "Pat" Date: Fri, 28 Jan 2000 22:41:59 -0500 Subject: Re: What is a good walk up MS system for synthetic chemists??? Organization: * Matt, I would concur that a GC/MSD is definitely not the way to go. The preferable way would be a used PE Sciex API 165, API 365 or Micromass QuattroLC or LCZ. For $70K, the 165 and 365 may be the best way since the Micromass units may still be above that. All the above units can be used with electrospray or APCI and are supported by current software. The PE Sciex can be upgraded to the new ANALYST software (windows NT) and Micromass has a historically good track record of upgrades to older units. Gilson has worked with these companies and has a scientist on it's staff that has significant experience in this area from Pfizer. The software and hardware will be modern and provide the right tools for the chemists. While a single quad may be preferred, some of the triple quad instruments can have some cost benefits. Patrick Bennett NACL Inc. "M Sweeney - MSMS Consulting" wrote: }I would love to get comments from as many people as possible on this }subject. } }I have a customer that is wanting to buy an inexpensive walk up MS }system. They are asking me my opinion and I have not had to feed and care }for many of the systems that have come and gone over the years. }Currently they use a Finnigan quad system with a Gilson215/HPLC to run }combichem library plates by API. I would like them to have an API }instrument but they are leaning towards the perception that an MSD GC/MS }is the way to go. The samples are mostly polar so I have my }reservations about the GC/EI/CI part of things. } }It will be used in the lab by the synthetic chemists and supported by one }of them -new to MS. I was thinking about a used system that could be }fitted with GC or LC inlets. If you were to by a used VG or Micromass or }SCIEX system which would you purchase and what are the service issues? } }Ideally this system would be priced at less than 70K$ } }I can give them my advice but I am admittedly biased by my history. I }would love to hear your biases. } }-- }Matt Sweeney }mattsweeney@earthlink.net }Mass Spec Consulting }Training/Operations/Consulting/Method Development }LC/MS Pharmacokinetics, Peptides, Proteins, Metabolism, }Maintenance Classes, Specialist in Finnigan Equipment and Software ****************************************************************************** From: stevecepa@ao