****************************************************************************** From: prolab@ix.netcom.com (Keith D. Martinko ) Subject: ProLab Resources Home Page Date: 1 Jan 1996 14:27:13 GMT Organization: Netcom To the mass spec community, ProLab Resources is proud to announce its presence on the Internet at URL : http://www.prolab.com ProLab Resources specializes in productivity enhancement software for HP MS and GC ChemStation users and information consulting services for the analytical laboratory. We welcome you all to come take a look. Kind regards, Keith Martinko, President ProLab Resources, Inc. prolab@ix.netcom.com ****************************************************************************** From: Jo Rita Jordan <76150.2171@CompuServe.COM> Subject: ICP-MS users? Date: 3 Jan 1996 14:51:04 GMT Organization: Analytical Consumer Analytical Consumer is doing a survey of ICP-MS users. If you're interested in participating, please send me an e-mail note, and I'll send you the questions. You'll get a copy of the survey when it is finished. Thanks, Jo Rita Jordan Analytical Consumer ****************************************************************************** From: Ron Bihler Subject: Technical Glass, Inc. Homepage Date: 7 Jan 1996 17:33:45 GMT Organization: SuperNet Inc. (303)-296-8202 Denver Colorado Technical Glass, Inc. is pleased to announce the opening of it's first homepage. As a supplier of Custom scientific glassware, we hope to make our services available to a wider range of customers. We currently offer ICP products(Torches, Spray chambers and suppoert glassware), laboratory glassware, as well as custom glassware. For more information check out our web site at http://www.csn.net/~rbihler Ron Bihler ****************************************************************************** From: walter@zaiko.kyushu-u.ac.jp (Dr. Walter Pietsch) Subject: Vaporpressure of Nd ? Date: Tue, 9 Jan 1996 11:42:48 LOCAL Organization: Kyushu University, Japan Looking for this value at RT and up. Any references and pointer much appeciated! W.Pietsch Kyushu University walter@zaiko.kyushu-u.ac.jp ****************************************************************************** Date: Mon, 8 Jan 1996 20:03:14 -0500 From: RHenry1812@aol.com Subject: New ICP-MS & ICP-AES Environmental Methods Data needed ! I am working with ASTM D-19 Water committee on the expansion of the range of elements in the current EPA ICP-MS methods, 200.8 & 6020 as well as the ICP-AES 200.7 method. We need data sets for specific elements to show good spike recovery in a variety of aqueous matrices. If there are any users out there who would like to help in this task please reply soonest. Rob Henry ****************************************************************************** Date: Tue, 9 Jan 1996 13:55:45 -0600 From: jeilers@daisy.ac.siue.edu (Jim Eilers) C&EN advertisement 12/11/95 TENURE-TRACK ASSISTANT OR ASSOCIATE PROFESSOR. Southern Illinois University at Edwardsville is seeking candidates with teaching and research expertise in Analytical Chemistry. The successful candidate will engage in research/scholarly work in analytical chemistry and teach courses in analytical chemistry. Candidates must also be able and willing to occasionally teach outside their specialty area, preferably in one of the following: biochemistry; inorganic chemistry; organic chemistry; environmental chemistry; general chemistry; general education chemistry; chemical health & safety. Postdoctoral experience desired. Interest and experience in environmental chemistry or bioanalytical chemistry especially welcome. Appointment to begin August 1996. The Department and SIUE are committed both to quality undergraduate education and to creative scholarship. We feel that research and teaching are not separate functions. The Department presently has 14 faculty, an ACS certified undergraduate program, ~100 majors, and ~25 MS students. We are a quality regional university with ~11,000 students and a beautiful 2660 acre campus located 30 minutes from St. Louis. Teaching assignments will vary and will include courses and laboratories at both undergraduate and graduate (MS) levels. The successful applicant will be expected to seek external grants to support an active research program and to produce scholarly publications. Candidates should submit a letter of application, curriculum vitae, transcripts, a statement of research plans, and a summary of teaching interests and philosophy, and have three letters of recommendation sent to: The Analytical Chemist Search committee, Department of Chemistry, Southern Illinois University at Edwardsville, Edwardsville, IL 62026-1652. SIUE is an affirmative action/equal opportunity employer and is working to meet the special needs of disabled members of the University community. Applications from women and underrepresented minority candidates are especially welcome. Review of applications will begin on 1/11/95 and continue until the position is filled. For full consideration completed applications must be received by 1/11/96. ****************************************************************************** From: Albert CAU Subject: Re: Vaporpressure of Nd ? Date: Tue, 09 Jan 1996 22:52:16 -0800 Organization: ImagiNET Dr. Walter Pietsch wrote: >=20 > Looking for this value at RT and up. Any references and pointer much > appeciated! >=20 > W.Pietsch > Kyushu University > walter@zaiko.kyushu-u.ac.jp Hello , the relation is given by=20 log p(torr) =3D A - B/T a =3D 8.102 b =3D 16 320 fot 1528 < T < 1923 =B0C For room temperature, you could find the data in: Transaction Vacuum Metallurgy Conference pp.99 to 135 ( 1965 ), I.M. Bianchi ed.,Am. Vac.,Soc., Boston, Mass,=20 (1966) Regards Albert CAU --=20 * Albert CAU art@imaginet.fr * * * * http://www.imaginet.fr/~art/art.htm * ******* @ * * Old Alchemy & Superheavy Elements * * * ************************************************ ****************************************************************************** From: Peter@rjhill.co.nz (Peter Robinson) Subject: Possible ICP Conference, Hamilton, NZ Nov 1996 Date: 10 Jan 1996 11:14:30 GMT Organization: R J Hill laboratories Ltd, Hamilton, NZ Kia ora all ICP users and others interested We are investigating running an ICP conference in Hamilton, NZ in November 1996. Probable format 1-2 days ICP-MS, similar for ICP-OES. If anyone is interested please contact me as below. We should make decision by mid Feb about definite dates, etc. Regards Peter Robinson peter@rjhill.co.nz Environmental Division phone: 0064 7 855 2266 R J Hill Laboratories Ltd fax: 0064 7 854 9886 Hamilton, New Zealand "ACTIVATION ENERGY: The quantity of useful energy available in one cup of coffee" ****************************************************************************** From: db32@prism.gatech.edu (David E. Bostwick) Subject: Newsgroup server downtime Date: Wed, 10 Jan 1996 17:01:35 -0500 (EST) The computer that handles the news for Georgia Tech is scheduled for maintenance from Friday, January 12 at 1700 EST, until Tuesday, January 16 at 0600 EST. During that period, no news can be posted. Mail sent to the group will be held in the queue and delivered when the system is back to normal. We will regularly check on the system status, and begin posting as soon as possible. -- David E. Bostwick Georgia Institute of Technology, Atlanta, GA, 30332 david.bostwick@chemistry.gatech.edu ****************************************************************************** From: ijames@codon.nih.gov (Carl F. Ijames) Subject: Re: Vaporpressure of Nd ? Organization: National Institutes of Health Date: Thu, 11 Jan 1996 00:21:57 GMT In article <4ctu70$duf@acmey.gatech.edu>, walter@zaiko.kyushu-u.ac.jp (Dr. Walter Pietsch) wrote: > Looking for this value at RT and up. Any references and pointer much > appeciated! ****************************************************************************** RCA Review, 30, p. 285, June 1969), there is a chart indicating a vapor pressure of 10-11 torr at 840 K, 7x10-9 torr at 1000 K, 3x10-5 torr at 1600 K (melting point), 5x10-4 torr at 1500 K, 6x10-1 torr at 2000 K, and 760 torr at about 3200 K. These are +/- 1 or so for the pressures (e.g. 6-8x10-9 torr) and +/- about 25 K. Regards, Carl Ijames ijames@codon.nih.gov ****************************************************************************** From: ijames@codon.nih.gov (Carl F. Ijames) Subject: Re: Vaporpressure of Nd ? Organization: National Institutes of Health Date: Thu, 11 Jan 1996 00:21:57 GMT In article <4ctu70$duf@acmey.gatech.edu>, walter@zaiko.kyushu-u.ac.jp (Dr. Walter Pietsch) wrote: > Looking for this value at RT and up. Any references and pointer much > appeciated! ****************************************************************************** From: "Mark E. Hemling" Subject: DNA/RNA software Date: 12 Jan 1996 21:00:51 GMT Organization: SmithKline Beecham Does anyone know of software available to aid in the interpretation of MS spectra of DNA or RNA. For example, calculation of MWs, and MS/MS fragments, and possibly a composition calculator based on MW and partial composition restrictions. We are interested in software that might run on PCs, Macs, or under VMS. ****************************************************************************** From: "TKBKarns" Subject: Permanent MS Position Date: Fri, 12 Jan 1996 14:14:57 +0000 The Department of Chemistry and Biochemistry at the University of Oklahoma is seeking a Manager for Mass Spectrometric Services. This position is available immediately. Included below are details of the job and qualifications. Job Function: Provide for the safe and timely running of mass spectrometric samples and maintain records of all operation. Schedule operation and maintenance of all mass spectrometric equipment and maintain proper records of instrument performance. Insure that proper supplies and parts are on hand for operation and repair. Train and supervise Analytical Services Center staff and user operators in the use and operation of equipment. Evaluate Analytical Services Center mass spectrometric staff and report on performance to the ASC Director. Minimum Qualifications: Education--Doctorate in science or engineering or equivalent experience. Experience--Experience in the operation, maintenance, and repair of high, medium, and low resolution magnetic/electric sector mass spectrometers and quadrupole instruments. Must be familiar with modern computer data systems associated with mass spectrometers. Salary will be determined by experience and qualifications. To apply for this position, send a resume with cover letter and the names and telephone numbers of three references to: Theresa Ewing Personnel Services University of Oklahoma NEL Room 205 905 Asp Avenue Norman, Oklahoma 73019 or send the same information to TEwing@gslan.offsys.uoknor.edu Applications should arrive by January 31, 1996 and will be considered until a suitable applicant is found. For additional information you may call Eric Enwall or Tom Karns at 405-325-2843, or preferably, e-mail at eric-enwall@uoknor.edu or tkkarns@uoknor.edu This position is in the Analytical Services Center operated by the Department of Chemistry and Biochemistry. The University of Oklahoma is an Equal Opportunity/Affirmative Action Employer (AA/EOE.) . ________________________________________________________________________________ Tom Karns Phone: 405-325-2843 Dept. of Chem., Univ. of Oklahoma FAX 405-325-6111 620 Parrington Oval Norman, Oklahoma 73019-3050 "It is by logic that we prove, but by intuition that we discover." TKKarns@uoknor.edu Jules Henry Poincare ________________________________________________________________________________ -- David E. Bostwick Georgia Institute of Technology, Atlanta, GA, 30332 david.bostwick@chemistry.gatech.edu ****************************************************************************** From: ssilver@sonic.net (Steven Silver) Subject: Ferran Scientific RGA's Date: Sun, 14 Jan 1996 09:25:13 -0800 Organization: Sonoma Interconnect,707.522.1001,ppp$12/mo,Santa Rosa,CA(us) A recent posting requested information about experience with the Ferran Scientific Mass Analyzers. I too have an interest in these units and unfortunately missed any responses to the previous requests. Our application is a thin film coating process running in the millitorr range. I would appreciate any experiences, either pro or con. Please respond directly by E-mail. Thanking you in advance Steve Silver ****************************************************************************** From: wolfwang@iastate.edu (HaHaHa!!!!!) Subject: help needed on testing grating and prism Date: 15 Jan 1996 07:45:09 GMT Organization: Iowa State University, Ames, Iowa USA how to test the difference between grating and prism? they are both dispersive optics, and which one is better in monochromator's purpose? thanks, please email me. -- ========================================================================== Ziqiang Wang Dept. of Chemistry wolfwang@iastate.edu Iowa State University tel:515-294-1127 Ames, IA 50011 http://www.public.iastate.edu/~wolfwang/homepage.html ========================================================================== n, _/ | _ <\ /' `'/ \~ .' .' | _/ | _/ `.`. ____/ ' \__ | |______ @@@@@@@@@@@@@@@@@@@@a__/___/ /__\ \ \ \___.a@@@@@@@@@@@@@@@@@@@@@@@ ****************************************************************************** Date: Mon, 15 Jan 1996 10:17:26 -0500 From: John Callahan Subject: January 22, 1996 MSDG meeting The Mass Spectrometry Discussion Group of the Greater Washington/Baltimore Area Next Meeting: Monday, January 22, 1996, 7:30 pm Location: Hewlett-Packard Divisional Office, Park Plaza Building, 2101 Gaither Rd, Rockville, MD Speaker: Dr. Igor A. Kaltashov, University of Maryland Baltimore County, Department of Chemistry and Biochemistry Topic: Energetics and Higher Order Structure of Biopolymers in a Solvent-Free Environment Upcoming meeting dates: February 26 (UMBC). Dr. Peter Todd, Oak Ridge National Laboratory. World Wide Web Home Page: Our home page is located at http://chem1.nrl.navy.mil/analytical/msdg. Upcoming schedules, the latest announcement, abstracts of talks, directions and maps to meeting sites, and links to other places are included. eot John H. Callahan Code 6113/Chemistry Division Naval Research Laboratory Washington, D.C. 20375 202-767-0719, FAX 202-404-8119 John.Callahan@nrl.navy.mil ****************************************************************************** From: donald@sequel.demon.co.uk (Donald M Burns) Subject: Quadrupole Analyser Geometry Organization: Helen's Home for Stray Cats Date: Tue, 16 Jan 1996 22:40:24 GMT I'm looking for references for papers/articles discussing the optimal geometry for round rod quadrupole analysers, and would greatly apreciate any help the group could give. Donald -- Donald M Burns. donald@sequel.demon.co.uk Conserve net bandwidth - truncate your .signature ****************************************************************************** From: ssilver@sonic.net (Steven Silver) Subject: Ferran Scientific Mass Spec Date: Tue, 16 Jan 1996 16:37:57 -0800 Organization: Sonoma Interconnect,707.522.1001,ppp$12/mo,Santa Rosa,CA(us) Recently I saw a post requesting information about experience with the Ferran Scientific RGA's. Unfortunately, I have been on the road and missed any responses to the posting. I too have an interest in these systems. Our application is on a physical vapor deposition system running in the high millitorr region. I would appreciate any information, pro or con. Thanking you in advance. Steve Silver ****************************************************************************** From: willieg666@aol.com (WillieG666) Subject: GC/MS System Available Date: 16 Jan 1996 20:45:46 -0500 Organization: America Online, Inc. (1-800-827-6364) Available for sale.....Finnigan 4500 series GC/MS with Varian 3400 GC. Data system can be either DOS based TEKNIVENT or OS/2/Windows based TEKNIVENT. Also available Finnigan 3XXX series with Varian 3400, autosampler and research grade Extrel C-50 electronics. Both systems in perfect working order-availble for inspection. Contact VIA e-mail, this forum, or humanly @ (713) 920-1696...ask for Bill Geiger ****************************************************************************** From: ijames@codon.nih.gov (Carl F. Ijames) Subject: Re: Quadrupole Analyser Geometry Organization: National Institutes of Health Date: Thu, 18 Jan 1996 18:40:40 GMT In article <4dis5o$a1q@acmey.gatech.edu>, donald@sequel.demon.co.uk (Donald M Burns) wrote: > I'm looking for references for papers/articles discussing the > optimal geometry for round rod quadrupole analysers, and would > greatly apreciate any help the group could give. The classic book is Dawson's Quadrupole Mass Spectrometry, published in 1976 (a new edition was due in 1995); in it he references two articles on optimum round rod dimensions: Review of Scientific Instruments, vol 25 (1954) 485, and Journal of Vacuum Science and Technology, vol 8 (1971) 266. Regards, Carl Ijames ijames@codon.nih.gov ****************************************************************************** From: douglas@chem.ubc.ca (Don Douglas) Subject: Re: Quadrupole Analyser Geometry Date: 18 Jan 1996 20:00:20 GMT Organization: University of British Columbia In article <4dis5o$a1q@acmey.gatech.edu>, donald@sequel.demon.co.uk (Donald M Burns) wrote: > I'm looking for references for papers/articles discussing the > optimal geometry for round rod quadrupole analysers The "classic is D. R. Denison", J. Vac. Sci. Technology, 8, 266-269,(year?). The calulated magic number is rod radius/field radius=1.148. ****************************************************************************** Date: Fri, 19 Jan 1996 09:00:39 -0500 From: lai@ppco.com (Xiaonian Lai) Subject: GC/MS Analysis Cost Dear Colleagues, Can any one working in an industrial analytical lab give me an estimate of the total cost of a non-routine GC/MS analysis for one sample, or how much you charge your customers for such an analysis? By "non-routine analysis", I mean to analyze samples containing numerous of unknown components (say an average of 15) to determine or characterize the structures of individual components (to 10 ppm). I appreciate your input. Once I get enough response, I'll post a summary to the Newsgroup. Xiaonian Lai Xiaonian Lai, Ph.D. Phillips Petroleum Company 144 PL, Phillips Research Center Bartlesville, OK 74004 lai@ppco.com 918-661-6991 918-662-2888 (fax) ****************************************************************************** Date: Mon, 22 Jan 1996 15:38:00 -0600 (CST) From: "Steven P. Cepa 708-937-7539" Subject: Another Thermo-Finnigan Purchase A letter-of-intention has been signed between Finnigan MAT and Waters Chromatography to sell the FT/MS business of Waters, formerly known as Extrel FT/MS, to Finnigan. For more information, call Everette Sizemore of FT/MS in Madison, Wisconsin at 608-273-8262. ****************************************************************************** From: ssmaraso@emerald.tufts.edu (Sigurdur Smarason) Subject: Help: need info on decanal derivative Date: 22 Jan 1996 22:57:37 GMT Organization: Tufts University Hi everyone ! I'm looking for any information regarding 4,8-dimethyl-decanal and its analysis. I'm especially interested in any info about GC/MS analysis of this and related compounds. If anyone has done any work in this area I'd greatly appreaciate any and all information they can give me. thanks Siggi -- Sigurdur Smarason e-mail:ssmaraso@emerald.tufts.edu Tufts University Chemistry Department 62 Talbot Ave, Medford, MA 02155 office phone:(617)-628-5000-x2633 *if you can't say it... try shouting* ****************************************************************************** From: Peter@rjhill.co.nz (Peter Robinson) Subject: Re: GC/MS Analysis Cost Date: 23 Jan 1996 08:48:24 GMT Organization: R J Hill laboratories Ltd, Hamilton, NZ In article <4doecl$okm@acmex.gatech.edu>, lai@ppco.com says... > >Dear Colleagues, > >Can any one working in an industrial analytical lab give me an estimate of >the total cost of a non-routine GC/MS analysis for one sample, or how much >you charge your customers for such an analysis? By "non-routine >analysis", I mean to analyze samples containing numerous of unknown >components (say an average of 15) and to determine or characterize the >structures of individual components. > >I appreciate your input. Once I get enough response, I'll post a summary >to the Newsgroup > >Xiaonian Lai, Ph. D. > Kia ora We routinely charge $NZ115 ($US175 approx) for sample prep for environmental analyses eg of waters or soils. This may involve any of liq-liq extractn, soxhlet, Dionex ASE, gel permeation cleanup, Kuderna-Danish concentration. GC-MS quantitative analysis is then $NZ65/run ($US100) assuming we have calibration stds as for eg USEPA SVOC (by full scan GC-MS) or SIM for PAH, PCBs, Organochlorines, etc. Pricing for unknown samples would depend on whether MS could be IDd from the 75,000 compound NIST library and would be similar to the above if so. If "interpretation" of the spectra, other than from the library match, was required there would be an additional charge based on the analyst's time involved. Hope that this is of some help. Peter Robinson peter@rjhill.co.nz Environmental Division phone: 0064 7 855 2266 R J Hill Laboratories Ltd fax: 0064 7 854 9886 Hamilton, New Zealand "ACTIVATION ENERGY: The quantity of useful energy available in one cup of coffee" ****************************************************************************** From: hdckwth@cc.UManitoba.CA (Harry W. Duckworth) Subject: MS of Non-covalent Interactions, Conference Date: 23 Jan 96 15:20:51 GMT Organization: The University of Manitoba A conference on "New Methods for the Study of Molecular Aggregates", sponsored by NATO, will be held at the Minaki Lodge in northwest Ontario, Canada, in an idyllic setting, from June 16 to June 20, 1996. Emphasis will be on mass spec methods, the locally-based organizer being Professor Ken Standing at the University of Manitoba, Winnipeg. Registration is free, and there is a reduced rate for meals/accommodation at the Lodge. Some financial assistance is available for young investigators. Full details of program, and e-mail forms for registration and to apply for financial assistance, can be found at the web site: http://www.physics.umanitoba.ca/tof.html ****************************************************************************** From: E.A.Underwood@exeter.ac.uk Subject: CI BACKGROUND Date: Wed, 24 Jan 1996 16:31:00 +0000 (GMT) Can anyone help me to identify a background spectrum I get when running +ve CI using ammonia? I,ll try to draw it below. The spectrum is only there when the gas valve is open and is not seen in EI. When samples produce a CI spectrum the one shown is lost in the baseline. 193 207 224 267 281 297 371 388 l l l l l ll l ll l l ll ll ll l ll ll ll l ll lll ll ll lll lll lll ll I,m sure it has to come from the gas bottle or the line, but what is it? Thanks for your help, Eric Underwood. Chemistry Department University of Exeter Exeter England E.A.Underwood@exeter.ac.uk ****************************************************************************** From: Adam Whybrew Subject: Detection of NO (nitric oxide) in gases Date: 24 Jan 1996 17:14:31 GMT Organization: Oxford University Please excuse the cross posting but I suspect people in rather a lot of disciplines may be able to help. I need to know how people go about detecting nitric oxide (NO) in air (e.g. for pollution monitoring) and other gas phase measurements (though the gas may be produced from a liquid in some way). In particular it's state-of-the-art very low concentration measurements I'm interested in. What is the state of the art for sensitivity? What's good? What's easy? What can you put in a `plane? Any help would be very welcome. Thanks in advance. Please reply by email. Adam p.s. I'm a physicist so _please_ try not to use too many acronyms (e.g. "we use FT-NIR/MOCVD spectroscopy with RATFETs") I won't understand! ****************************************************************************** From: kaustin@wam.umd.edu (Brian Gluckman) Subject: Macros for MSD ChemStation Date: 24 Jan 1996 20:04:04 GMT Organization: University of Maryland, College Park I'm running a HP 5970 MSD with ChemStation software, V. B.02.02, and am looking for any and all macros that involve integrating the chromatogram over a window. Specifically, I'd like to be able to draw a window from the TIC using a specific ion mass, then to be able to smooth out that window and integrate it and print out the results. Also, I am trying to be able to calculate the report during quantification using the output from my windows, not from the peak areas produced when it does a general integration over the whole TIC with the ChemStation Integrator. Any assistance is appreciated. --Brian Gluckman -- Brian Gluckman | Departments of Chemistry and kaustin@eng.umd.edu | Computer Science kaustin@wam.umd.edu | University of Maryland, College Park briang@capaccess.org | http://www.wam.umd.edu/~kaustin ****************************************************************************** From: blaster394@aol.com (Blaster394) Subject: Mass Spec position wanted Date: 24 Jan 1996 19:13:54 -0500 Organization: America Online, Inc. (1-800-827-6364) MICHAEL LOMBARSKI 21 D3 Capano Drive Newark, Delaware 19702 (302)368-9626 ANALYTICAL CHEMIST - MASS SPECTROMETRY with over 10 years of in-depth experience identifying and solving complex and diverse problems using unique approaches. Proficient in the use of EI/CI GC/MS quadrupole instruments. Experienced on high resolution mass spectrometry. Extensive knowledge of gas chromatography. Adept at utilizing statistical process control and total quality management techniques. A proven analytical problem identifier/solver. Known for being a strong team player providing high quality results. SYNERFAC,INC / ICI SURFACTANTS 6/95 to date Part Time Contract Employee New Castle, DE Provide GC/MS analysts to plant chemists and engineers in support of manufacturing problems and customer inquiries regarding ICI Surfactants' product line. - Developed GC/MS and Headspace GC/MS procedures to analyze surfactant related problems. E.I. DU PONT 1984 - 1993 Division Chemist, CorianR Research & Development Buffalo, NY 1990 - 1993 Installed a Total Quality Management system for Research & Development and Quality Control Labs. Provided analytical support for R&D chemists, engineers, line supervisors and unionized hourly operators in a 200 employee plant. Supervised one analyst. - Reduced the variability in several key QC tests of the product by 50 - 70% in a relatively short period of only 3 months. This was accomplished by standardizing the lab equipment in different areas of the plant and by developing an operating procedure that prevented personalization by 20 analysts. - Developed new laboratory procedures which provided valuable insight into the physical properties and raw materials used in competitors' products. - Received a complimentary letter from the requestor about the high quality of the data provided and timeliness of the project. Research Chemist, Du Pont Polymers - Analytical & Physical Measurement Section Wilmington, DE 1986 - 1990 Provided GC and GC/MS analysis to chemists, engineers, technical and marketing representatives in support of research, plant problems and customer inquiries regarding Du Pont's polymer products. Supervised 1 - 3 analysts. - Correlated analytical data to organoleptic data in support of a major customer's anticipated needs for a beverage/packaging program. During 6 month study, weekly reports were issued directly to customer to update on progress. Customer was able to select proper packaging material as result of this study. Developed headspace GC/MS procedures to analyze food and packaging films which solved customers' problems. Participated in a successful round robin study which determined differences in methodologies of 20 laboratories around the country for the analysis of offgassing from microwave susceptor popcorn bags. This study was sponsored by the National Food Processors Association. Developed innovative qualitative and quantitative GC/MS procedures for analysis of impurities in monomers, surfactants, antioxidants, plasticizers and other materials incorporated in new polymer based products. After a serious loss of a sole supplier of key monomer, persuaded two new reluctant suppliers to improve their processes. This yielded a product equivalent to original supplier's product plus saving over $100,000 a year. Provided creative interpretation of potassium ionization of desorbed species (KIDS)/MS in the study of low molecular weight (<2000) polymers, surfactant and gasoline additives. Analysis often provided information that NMR and IR analyses could not confirm or had provided conflicting results. Initiated use of purge and trap techniques which enhanced low level analysis within polymers department. Developed GC and GC/MS methodologies for the analysis of polymer offgassing under simulated processing conditions. This enabled customers to determine specific grade of the product and prevented possible processing problems in their applications. Successfully analyzed polymers for residual monomers and solvents via multiple headspace extraction GC. Initiated, developed and implemented a computer database containing over 400 GC procedures which may be searched by 40 different parameters singularly or in combination. This eliminated need for outdated filing systems or relying on veteran technicians to recall if method existed or not. This also provided significant cost and time savings by not having lab personnel re-invent procedures already current. Research Chemist, Du Pont Fibers - Analytical Science and Technology Richmond, VA 1984 - 1985 Responsible for GC and GC/MS method development. Resource for AA, XRF, GC, GC/MS and wet chemical techniques to solve production problems for TyvekR, NomexR, KevlarR and nylon plants. Prevented the loss of about $5 million in equipment, material and labor on a start-up of a new solvent recovery system. Contributed significant ideas in this team effort. Also, revised system which upon start-up saved approximately $4 million a year in energy costs. EDUCATION Ph.D. - Chemistry, Michigan State University, 1985. B.A. - Chemistry, Rutgers University, 1979. Completed Professional Courses: Hunter Lab's - Color and Color Measurements, 1991 ACS - LC/MS, 1986 G.W. University - Deming's Principles/Practices, 1991 ACS - Polymer Synthesis, 1989 ASMS - Fast Atom Bombardment/MS, 1989 Du Pont - Total Quality Management,1987 PROFESSIONAL AFFILIATIONS American Chemical Society (1977 to date) Delaware Section of ACS - Continuing Education Committee (1988 -1990) American Society of Mass Spectrometry (1980 - 81, 1987 - 90 and 1994 to date) Du Pont's - Partners in Education "Fun With Science" program (1991 - 1993) ****************************************************************************** From: marcu02@ibm.net Subject: Re: CI BACKGROUND Date: Thu, 25 Jan 96 20:09:14 Masses 207 and 281 ring a bell saying column-bleeding from a methyl-silicone/phenyl- silicone type of column. I'm not familiar with CI GC/MS, but I've seen plenty of peaks and background with 207 and 281 amu when running EI GC/MS using the DB-1- or DB-5-type columns from, say, J&W. Jorn Marcussen Flavour Analyst Danisco Ingredients, Denmark ****************************************************************************** From: David Knapp Subject: Re: Detection of NO (nitric oxide) in gases Date: 25 Jan 1996 20:40:20 GMT Organization: University of Colorado at Boulder Adam Whybrew wrote: >Please excuse the cross posting but I suspect people in rather a lot of >disciplines may be able to help. I need to know how people go about >detecting nitric oxide (NO) in air (e.g. for pollution monitoring) and >other gas phase measurements (though the gas may be produced from a >liquid in some way). In particular it's state-of-the-art very low >concentration measurements I'm interested in. What is the state of the >art for sensitivity? What's good? What's easy? What can you put in >a `plane? In an airplane? How about your favorite FTIR spectrometer and a long path gas cell? I had gotten a long path cell a number of years ago from Perkin Elmer for CO/CO2/NOx measurements, worked like a charm, although you will be dealing with much lower concentrations than I was. There is a company named "Horiba" which specializes in atmospheric measurements of pollutants. I think they are in LA and I think they do have an 800 number. I've used several of their low-cost automotive emission analyzers for CO/CO2 detection also, but this, again, was at the 1-4% STP level. If you want to discuss this further, feel free to email. -- David Knapp Energy and Minerals Applied Research Center (EMARC) (303) 492-7113 Department of Geological Sciences http://lolita.colorado.edu/david1.html University of Colorado, Boulder 80309-0250 david@lolita.colorado.edu ****************************************************************************** From: Jeff Corkern <74030.52@CompuServe.COM> Subject: Re: GC/MS Analysis Cost Date: 26 Jan 1996 01:53:01 GMT Organization: 74030.52@compuserve.com >Can any one working in an industrial analytical lab give me an >the total cost of a non-routine GC/MS analysis for one sample, or >how much >you charge your customers for such an analysis? >Xiaonian Lai, Ph. D. We normally charge $500 - $1000 depending on sample prep for a single injection into a HP 5890 GC hooked to a 5971A MS scanning from 40 - 550 a.m.u. with an automatic MS database search on the largest 20 unknown peaks. We are normally an environmental lab and $500 is what we get for a routine semi-volatile analysis, so other analyses must be comparably priced to be cost-effective. -- Jeff Corkern ****************************************************************************** From: m.vandeweert@chemail.chem.ruu.nl (Weird L. Marcowitz) Subject: Re: CI BACKGROUND Date: Fri, 26 Jan 1996 09:31:45 +0100 Organization: Academic Compter Centre Utrecht In article <4e64v7$km@acmex.gatech.edu>, E.A.Underwood@exeter.ac.uk wrote : Can anyone help me to identify a background spectrum I get : when running +ve CI using ammonia? : I,m sure it has to come from the gas bottle or the line, but : what is it? People here think the 207 and 281 are from siliconpolymers. Probably you have some silicon somewhere in the connection between the gas bottle and your MS, HTH, Marco ****************************************************************************** From: Heinrich Luftmann Subject: Re: CI BACKGROUND Date: 26 Jan 1996 10:36:06 GMT Organization: Org.Chem.Inst. Uni. Muenster E.A.Underwood@exeter.ac.uk wrote: > Can anyone help me to identify a background spectrum I get >when running +ve CI using ammonia? I,ll try to draw it below. The >spectrum is only there when the gas valve is open and is not seen in >EI. When samples produce a CI spectrum the one shown is lost in the >baseline. > > 193 207 224 267 281 297 371 388 > > l l > l l > l ll l ll l l > ll ll ll l ll ll ll l > ll lll ll ll lll lll lll ll > > I,m sure it has to come from the gas bottle or the line, but >what is it? > For me it looks like "silicon oil" at least the peaks 207/281 (regard the isotope pattern). They are normally formed by an EI fragmentation. Where and how do you add your CI gas? If you put it through a piece of coated fused silica column you may mobilize (decompose) the stationary phase. But there are much more possibilities. Good luck. Heinrich L. ****************************************************************************** From: willieg666@aol.com (WillieG666) Subject: Re: Detection of NO (nitric oxide) in gases Date: 26 Jan 1996 09:10:02 -0500 Organization: America Online, Inc. (1-800-827-6364) NO/NOx is generally monitored in the air routinely using an ozone generator followed by chemiluminesence detection. Detection levels are good to the ppm and sub ppm level. NO and NOx are differentiated, I believe, by switching sample in and out of ozone reactor. NO can also be measured gas chromatographically, detection limit and specificity is obviously a function of the detector and column used respectively. A third method would be to use a Draeger tube. This is based on a chemical reaction which results in a color change in a pre-packaged glass tube. This cannot distinguish NO and NOx. I believe atmospheric pressure ionization mass spectrometry (APIMS) is also a sensitive but expensive method. If you would like more info on any of these you can e-mail me or contact me directly at work. Bill Geiger Consolidated Sciences Pasadena, TX (713) 920-1696 ****************************************************************************** Date: Fri, 26 Jan 1996 11:14:10 -0700 From: Paul_Peterman@nbs.gov (Paul Peterman) Subject: Response to "CI Background" of EA Underwood Your abundant ions m/z 207 and 281 are very indicative of organosilicone, although usually recognizable in EI. Typical (M-73 or M-74)+ seem to be prevalent. Do you at least have a higher 73 ion in EI when the gas line is open? I suggest that you have some silicone oil or grease in the gas line, gas valve(s), connector, or other causing your background. Good Luck, Paul Peterman US Dept of the Interior Midwest Science Center Columbia, Missouri USA ****************************************************************************** From: kore@cityscape.co.uk (Steve Mullock) Subject: Re: Detection of NO (nitric oxide) in gases Date: Fri, 26 Jan 1996 17:51:09 GMT Organization: Kore Technology Ltd. Adam Whybrew wrote: >Please excuse the cross posting but I suspect people in rather a lot of >disciplines may be able to help. I need to know how people go about >detecting nitric oxide (NO) in air (e.g. for pollution monitoring) and >other gas phase measurements (though the gas may be produced from a >liquid in some way). In particular it's state-of-the-art very low >concentration measurements I'm interested in. What is the state of the >art for sensitivity? What's good? What's easy? What can you put in >a `plane? Funny that I should find this today as I just got off a plane this morning from Florida, returning from the On-Site analysis conference. With me I had, on only its second flight, our new battery powered portable mass spectrometer (dubbed T-CAT). If you have a web browser you con see details under http://www.cityscape.co.uk/users/ab48/ Otherwise email me with an address and I can put something in the post. regards Steve -- Dr S.J. Mullock Kore Technology Ltd. 291, Cambridge Science Park Milton Road Cambridge CB4 4WF UK Tel: 44 (0) 1223 420840 Fax: 44 (0) 1223 426041 ****************************************************************************** From: njmyer@aol.com (Njmyer) Subject: Finnigan TrapMaster Software Date: 27 Jan 1996 17:03:57 -0500 Organization: America Online, Inc. (1-800-827-6364) User of Finnigan TrapMaster Software for ITD would like to share experience and procedure programs with others using the same. ****************************************************************************** From: "Peter A. Linfoot" Subject: Tabletop GC/MS wanted Date: Sun, 28 Jan 1996 08:21:40 -0800 Organization: UCSF We would like to purchase a used tabletop GC/MS system. An autosampler would be preferable, but we may consider any working system. If you have information please respond via e-mail to rnesse@nature.berkeley.edu or plinfoot@itsa.ucsf.edu. Thank you. Peter Linfoot ****************************************************************************** From: blades@chem.ubc.ca (Mike Blades) Subject: FACSS WWW Home Page Date: Sun, 28 Jan 1996 11:38:20 -0800 Organization: UBC The FACSS home page at http://FACSS.org/info.html now has title submission and conference registration forms in adition to information on the program, awards symposia, workshops, instrument exhibits, and the conference venue. Mike Blades ****************************************************************************** From: Gwillkens@ns1.relex.com (George Willkens) Subject: Meeting Announcement & Call For Papers Date: Sun, 28 Jan 1996 22:00:40 GMT Meeting Announcement & Call for Papers: Northeast Regional Section of AOAC International (The Scientific Association Dedicated to Analytical Excellence) 15th Annual Meeting, May 6 to 8, 1966 Sheraton Inn, Ithaca, New York Meeting sessions: * Laboratory Accrediation & Certification * Laboratory Information Management Systems (LIMS) * Pesticide Residue Analysis * Laboratory Safety * Hazardous Waste Disposal Authors, titles and abstracts contact: Joe Hillebrandt, Program Chairman AGWAY Technical Center 777 Warren Road, Ithaca, NY 14850 Telephone: 607-257-2345 Fax: 607-257-5041 Email: joeh@lightlink.com Full meeting registration..........................$100.00 (US) Earlybird full meeting registration................$ 90.00 (US) Exhibitor fee......................................$300.00 (US) Sponsor fee........................................$125.00 (US) One day and student registrations will be available. The Sheraton Inn daily room rates for this meeting are $65.00 single and $75.00 double plus tax. Government rate will be available with identification at registration. A free airport shuttle is provided from Tompkins County Airport. For reservations: Sheraton Inn One Sheraton Drive (Route 13 at North Triphammer Road) Ithaca, NY 14850 Telephone: 607-257-2000 or 800-257-6992 Fax: 607-257-3998 For registration or further information contact: Chris Ellis or Karen Soper Rhode Island Department of Health Labs 50 Orms Street Providence, RI 02094 Telephone: 401-274-1011 Fax: 401-277-6985 ****************************************************************************** From: Kirk Yeager Subject: background peaks Date: Sun, 28 Jan 96 14:22:23 MST While running a Finnigan TSQ, I ran across backgrounds similar to what you asked about. We attributed it to the slight decomposition of the siloxane stationary phase. This was sometimes accompanied by small peaks occurring at regular intervals in the GC trace we were analyzing. The analysis of the peaks gave us library matches indicative of siloxanes. The baseline had similar peaks, but not in as great of an abundance. Hope this helps. Kirk ****************************************************************************** From: saj@lagnaf.isdn.mcs.net (Stephen Jacobs) Subject: Re: GC/MS Analysis Cost Date: Mon, 29 Jan 1996 04:50:36 GMT Organization: Chinet - Public Access UNIX In article <4doecl$okm@acmex.gatech.edu>, Xiaonian Lai wrote: >Dear Colleagues, > >Can any one working in an industrial analytical lab give me an estimate of >the total cost of a non-routine GC/MS analysis for one sample, or how much >you charge your customers for such an analysis? By "non-routine >analysis", I mean to analyze samples containing numerous of unknown >components (say an average of 15) and to determine or characterize the >structures of individual components. > My lab is strictly in-house. For a complex sample in which we really cared about the results, we might spend 4 hours collecting data and up to 20 hours interpreting (assuming that we had to go beyond blindly matching spectra against a library). At $120 an hour. The other side is that once you know what kinds of things to expect in a sample, the data collection gets simpler and the interpretation gets MUCH simpler. Steve ****************************************************************************** From: Peter@rjhill.co.nz (Peter Robinson) Subject: Re: GC/MS Analysis Cost - Sorry Date: 29 Jan 1996 10:26:22 GMT Organization: R J Hill laboratories Ltd, Hamilton, NZ Fellow Netters - I must apologise for my previous reply to this request. I guess it was very late at night, or I had had too many beers!, but I managed to divide $NZ by 0.66 to obtain $US instead of multiplying. My thanks to the anonymous kiwi who, somewhat forcefully, pointed out the error of my ways. The correct figures (I hope!!) are given in the reply below. In article <4doecl$okm@acmex.gatech.edu>, lai@ppco.com says... > >Dear Colleagues, > >Can any one working in an industrial analytical lab give me an estimate of >the total cost of a non-routine GC/MS analysis for one sample, or how much >you charge your customers for such an analysis? By "non-routine >analysis", I mean to analyze samples containing numerous of unknown >components (say an average of 15) and to determine or characterize the >structures of individual components. > >Xiaonian Lai, Ph. D. > Kia ora We routinely charge $NZ115 ($US80 approx) for sample prep for environmental analyses eg of waters or soils. This may involve any of liq-liq extractn, soxhlet, Dionex ASE, gel permeation cleanup, Kuderna-Danish concentration. GC-MS quantitative analysis is then $NZ65/run ($US43) assuming we have calibration stds as for eg USEPA SVOC (by full scan GC-MS) or SIM for PAH, PCBs, Organochlorines, etc. Pricing for unknown samples would depend on whether MS could be IDd from the 75,000 compound NIST library and would be similar to the above if so. If "interpretation" of the spectra, other than from the library match, was required there would be an additional charge based on the analyst's time involved. Hope that this is of some help. Peter Robinson peter@rjhill.co.nz Environmental Division phone: 0064 7 855 2266 R J Hill Laboratories Ltd fax: 0064 7 854 9886 Hamilton, New Zealand "ACTIVATION ENERGY: The quantity of useful energy available in one cup of coffee" ****************************************************************************** From: "K. Murray" Subject: Re: MacSimion status? Date: 29 Jan 1996 15:45:28 GMT Organization: Emory University slasley@space.umd.edu (Scott E. Lasley) wrote: >Does anyone know the status of MacSimion? This e-mail from McGilvery last year says a powermac version "soon" will be available. Also, the abstract "2D AND 3D ION TRAJECTORY SIMULATIONS ON A POWERMAC" at http://www.latrobe.edu.au/ANZSMS/Conferences/ANZSMS15/ANZSMS15Abs/MoP/MoP-07.html seems to indicate that some powermac version exists. Anyone know anything else? Date: Mon, 13 Mar 1995 10:52:17 GMT-10 From: Don McGilvery Subject: Re: MacSimion .. For the last 6 years Dr Richard Morrison and myself have been selling a Macintosh version of this software. The current version is v2.04 which supports E/H simulations in 2 dimensions with approximations to 3 dimensions. The simplest is where the 2-D plane is considered infinite (or large) above and below the plane. The other geometry is for systems which are axially symmetric. The software is sold by the Department of Chemistry Monash University Wellington Road Clayton, Vic. AUSTRALIA 3168 fax +61 3 905 4597 and the current international price is US$399-00 + US$30-00 to cover shipping and handling charges. I have attached a Microsoft word document outlining some of the features of MacSimion. This file has been BinHexed. A PowerMac native version will be available soon. ***************************************** Kermit K. Murray mailto:kmurray@emory.edu http://tswww.cc.emory.edu/~kmurray/ ****************************************************************************** From: "Kevin ® McGough" Subject: Fast Atom Bombardment of HETE's Date: 29 Jan 1996 17:40:07 GMT Organization: UCSB Pharmacology Program Hey: Who has done FAB of HETE's. There must be someone that has a reference newer then 15 yrs Help... Please? ******************************************************************** * Kevin McGough Department of Inflammation Pharmacology * * (610) 270-4921 PHONE SmithKline Beecham Pharmaceuticals * * (610) 270-5381 FAX 709 Swedeland Rd, MC-UM2532 * * Kevin McGough@sbphrd.com King of Prussia, PA 19406 * -------------------------------------------------------------------- * THE BEST LAID SCHEMES O' MICE AND MEN, GANG AFT A GLEY - B BURNES* ********************************************************************* soon to be implemented... A REAL LIFE! ****************************************************************************** From: Jim Shofstahl Subject: Finnigan's web page Date: Mon, 29 Jan 1996 17:23:40 -0800 Organization: a2i network Finnigan's web page is online at www.finnigan.com. ****************************************************************************** From: cos9490558@dlsu.edu.ph Subject: electrospray MS interpretation Date: 30 Jan 96 12:33:50 +0800 Organization: De La Salle University To anybody, Hi! I am currently having a problem with my mass spec data. The experiment done by a friend abroad is on electrospray mass spec. My problem is, I simply do not know how to interpret such spectra. I am more familiar with the EI mass spectra. The m1 of my sample seems to be 278. Can anyone provide me informations about how to interpret an electrospray mass spectra as well as the possible formulae? Drexel Camacho cos9490558@dlsu.edu.ph ****************************************************************************** From: Markus Ebert Subject: ICP-MS Finnigan MAT SOLA Date: Tue, 30 Jan 1996 13:39:56 -0800 Organization: Bremen University - Geosciences We are searching for contacts to Finnigan MAT SOLA ICP-MS users. Especially in order to get rid of problems concerning the "excellent" software. We are still using the software version 1.30. Please contact: E-mail jhencke@geochemie.uni-bremen.de ****************************************************************************** From: Mike Putter Subject: RF tubes for old quad? Date: 30 Jan 1996 15:42:37 GMT Organization: University of Nijmegen, The Netherlands Hi, We received an old quad (Finnigan 3100) that we would like to reactivate. However, at least the main RF amplifier tube seems to be weak so that the max. mass is only 170 at the moment. Finnigan does not supply those tubes anymore. Does anybody know a source of electron tubes? Specifically, we need a type 8458 (same as Philips YL1240), an RCA 6EB8 (or 6CX8) and an Sylvania 6AL5 (=6058). I appreciate any help or suggestions. Thanks, Mike ----------------------------------------------------------------- Mike Putter Dept. of molecular and Laser Physics, University of Nijmegen, Netherlands e-mail: putter@sci.kun.nl, phone: (+31) 24 - 3652171, fax: (+31) 24 - 3653311 ****************************************************************************** Date: Tue, 30 Jan 1996 10:48:53 -0500 From: cody@titian.jeol.com (Chip Cody) Subject: (submission for sci.techniques.mass-spec) Re: Electrospray interpretation In sci.techniques.mass-spec, Dexel Comach writes: >>Subject: electrospray MS interpretation >>To anybody, >> Hi! I am currently having a problem with my mass spec data. The experiment >>done by a friend abroad is on electrospray mass spec. My problem is, I simply >>do not know how to interpret such spectra. I am more familiar with the EI mass >>spectra. The m1 of my sample seems to be 278. Can anyone provide me >>informations about how to interpret an electrospray mass spectra as well as the >>possible formulae? >>Drexel Camacho >>cos9490558@dlsu.edu.ph It's not easy to determine a complete unknown from an electrospray spectrum, and virtually impossible if you only have one peak. You should have as much information as possible about the compound type and origin (that's _always_ important!). The mode of ionization is a clue. For example, most compounds that work well by positive-ion electrospray are polar, basic, or charged. 1. The first step is to determine the number of charges for the mass-to-charge that you have measured. If you only have one ionic species, then you need to look for isotope peaks (assuming that you mass spectrometer has enough resolution to separate them. You can then use the spacing between peaks to determine the number of charges. For example, if you have triply charged peaks for a compound of mass 3000 , then the isotope peaks will be separated by 0.33 Da and you will need a resolution of 3000 to separate them. If you have more than one peak, then you can solve simultaneous equations to determine the charge states (Mann, Meng, and Fenn, Anal. Chem. 1989, 61, 1702-1708 is the original reference). 2. To determine a structure, you will need fragment ions. You can cause fragmentation by changing the capillary/skimmer potential, or by performing MS/MS experiments. The interpretation may not be simple... some compounds are well characterized in terms of how they might fragment (peptides, for example), but others are not. It helps tremendously if you know the charge state of the fragment ions, too. 3. To get elemental compositions, you will need accurate mass measurements with a high-resolution mass spectrometer (see for example, Cody et. al. Anal. Chem. 1992, 64, 1561-1570.) You could try to use isotope ratios to estimate a composition, but make sure that the signal-to-noise and ion statistics are good enough to get believable isotope ratios. See our web page (http://www.jeol.com) for an essay about interpreting high-resolution accurate mass data. Good luck! Robert B. Cody Applications Manager Mass Spectrometry JEOL USA, Inc. ****************************************************************************** From: Ed Capovani Subject: Used Equipment for Science and Industry Date: Tue, 30 Jan 1996 08:10:49 -0800 Organization: Capovani Brothers, Inc. Capovani Brothers, Inc. is a new company to the www. Our business is buying and selling used equipment for science and industry. We offer a wide variety of equipment including but not limited to, microscopes of all types, SEMs, ESEMs, lasers, optics, optical tables, breadboards, semiconductor process and fabrication equipment, thin film deposition and inspection, high vacuum, leak detection, ovens, furnaces, thermal shock, environmental chambers, electronic test, mechanical test, including tensile, compression, vibration, shock, and much more!! Capovani Brothers, Inc. has been in business for the past eight years and we take pride in the service we provide to industry. All items are sold with a guarantee, and the satisfaction of our customers is our first priority. Our catalog is online and ready for your perusal. http://www.capovani.com Thank you for this opportunity, Ed Capovani ****************************************************************************** From: jeolams@euronet.nl (jeolams) Subject: 2nd hand sector mass spectrometer Date: 31 Jan 1996 09:11:30 GMT Organization: Your Organization JEOL (EUROPE) B.V., the Netherlands, will get available a second hand JEOL Mass Spectrometer, the JMS-DX303. Instrument is in good condition, has always been under service contract. When you are interested, please contact us. Our e-mail address is: jeolams@euronet.nl ****************************************************************************** From: jess@chem.psu.edu (Jess Ford) Subject: Thermospray using pulsed ionization Date: 31 Jan 1996 14:50:40 GMT Organization: Chemistry Department, Penn State Hi Everyone, We are trying to put together a thermospray source for molecular cluster generation followed by femtosecond MPI. We are currently having problems with a wandering neutral beam. We are using small orifice capillaries and we are getting virtually nothing into the time of flight apparatus. We have tried syring needles, but the liquid throughput is too large. If anyone has any ideas or references please reply via email to jess@opus.chem.psu.edu Thanks for your help. Jess V. Ford jess@opus.chem.psu.edu ****************************************************************************** From: smiths@www.vgorganic.co.uk (Steve Smith) Subject: Re: RF tubes for old quad? Date: Wed, 31 Jan 1996 14:51:24 GMT Organization: VGMasslab Mike Putter wrote: >Hi, >We received an old quad (Finnigan 3100) that we would like to >reactivate. However, at least the main RF amplifier tube seems >to be weak so that the max. mass is only 170 at the moment. >Finnigan does not supply those tubes anymore. Does anybody know a >source of electron tubes? Specifically, we need a type 8458 (same >as Philips YL1240), an RCA 6EB8 (or 6CX8) and an Sylvania 6AL5 (=6058). >I appreciate any help or suggestions. >Thanks, Mike >----------------------------------------------------------------- >Mike Putter >Dept. of molecular and Laser Physics, University of Nijmegen, Netherlands >e-mail: putter@sci.kun.nl, phone: (+31) 24 - 3652171, fax: (+31) 24 - 3653311 You could try Langrex Supplies Ltd - 1 Mayo Rd Croydon Surrey CRO 2QP England Phone 0181 684 1166 Fax 0181 684 3056 They definitely have the 6AL5 as it is in their latest advertisements (cost #1.00) Good Luck Steve ****************************************************************************** From: "K. Murray" Subject: Re: MS exact mass software? Date: 31 Jan 1996 23:29:37 GMT Organization: Emory University Mike Herauf wrote: >I'm looking for a program that will provide a set empirical formulas from the input >of its exact mass, say to 0.0001 amu. I have some MS software links at http://tswww.cc.emory.edu/~kmurray/mssw.html but the molecular weight calculators that I've used go the other way - from formula to mass. ***************************************** Kermit K. Murray mailto:kmurray@emory.edu http://tswww.cc.emory.edu/~kmurray/ ****************************************************************************** From: willieg666@aol.com (WillieG666) Subject: Re: RF tubes for old quad? Date: 31 Jan 1996 21:26:55 -0500 Organization: America Online, Inc. (1-800-827-6364) I have three Finnigan 3100 series mass specs I refurbished with Extrel C-50 electronics. These are great electronics, but I'm not sure if Extrel makes them anymore. There is a repair book put out by Scientific Instrument Services in Ringoes, N.J. which has published this modification. I would suggest you contact Rick Shafer at Extrel in Pittsburgh, PA if you are interested in an electronics upgrade. If you need help in pursuing this upgrade or need more detail with phone#s addresses etc. E-mail me. Also it should be possible to drive this with 4500 or 4000 electronics since the rods are the same, however rewiring will not be trivial. Newark electronics should also have tubes. Good Luck! Bill Geiger CONSCI/Merlin Microscience ****************************************************************************** From: Wayne Shanks Subject: Time of fleight mass spec Date: 1 Feb 1996 06:54:52 GMT Organization: University of Maryland College Park How many of you are using TOF mass spec. This would be mostly used for plasma measurments. Wayne Shanks ****************************************************************************** From: knewland@herbie.unl.edu (KIRK NEWLAND) Subject: MALDI-tof matrix Date: 2 Feb 1996 20:42:27 GMT Organization: University of Nebraska--Lincoln I have been working on increasing the signal to noise ratio on the MALDI-tof with various recipes of matrix. Our best results have thus far come from DHB. Is there anyone out there who has found a better matrix for proteins above 50k mass units? It would be much appreciated. Also, does anyone know of a listing of corporations who use analytical techniques such as the electro-spray, the MALDI-tof, or FT-ms on the net? Thanks, Kirk Newland University of Nebraska Mass-Spec Labs ****************************************************************************** From: willieg666@aol.com (WillieG666) Subject: Re: MS exact mass software? Date: 3 Feb 1996 00:03:43 -0500 Organization: America Online, Inc. (1-800-827-6364) WindowChem sells several programs that provide possible formulas based on both nominal and exact masses. Their Phone # is 1 800-536-0404 and I believe I saw them on the web at //www.windowchem.com or maybe softchem.com or similar. A great publication on MS by Beynon has a table with this info and there are a lot of compilations with this info. Should be an easy albeit tedious application to write in Excel. E-mail me if you want more info on the Beynon book. Bill Geiger CONSCI/Merlin MicroScience ****************************************************************************** From: Martin Tom Brown Subject: Re: MS exact mass software? Date: Fri, 02 Feb 96 09:52:40 GMT Organization: Nezumi In article <4eqgpd$jb2@acmex.gatech.edu> kmurray@emory.edu "K. Murray" writes: > Mike Herauf wrote: > >I'm looking for a program thatwill provide a set empirical formulas from > >the input of its exact mass, say to 0.0001 amu. What you are asking for is a solution of the knapsack problem, how to fit an exact number of objects of different length into a given fixed length box. I wrote a program for ICP-MS molecular interferences to do this (masses to 1 amu) and it's quite handy. I presume you are looking for an organic formula at high mass. It's a very illposed problem unless you have some additional constraints. Without limiting the elements used you will get a huge number of absolutely crazy solutions- some pairs of elements either side of iron can be added to produce close approximations to integer mass. Excessive runtimes will also be a major problem. > I have some MS software links at > http://tswww.cc.emory.edu/~kmurray/mssw.html > but the molecular weight calculators that I've used go > the other way - from formula to mass. That direction is very sensible. Regards, -- Martin Brown __ CIS: 71651,470 Scientific Software Consultancy /^,,)__/ ****************************************************************************** Date: Mon, 05 Feb 1996 02:05:07 +0000 (GMT) From: DAVID.DOGRUEL@ASU.Edu (dave) Subject: Re: MALDI-tof matrix Organization: dave's not here In article <4f31h1$45l@acmey.gatech.edu>, knewland@herbie.unl.edu (KIRK NEWLAND) wrote: >I have been working on increasing the signal to noise ratio on the MALDI-tof >with various recipes of matrix. Our best results have thus far come from >DHB. Is there anyone out there who has found a better matrix for proteins >above 50k mass units? It would be much appreciated. sinapinic (sinapic) acid is one of the preferred matrices for high-mass work. >Also, does anyone know of a listing of corporations who use analytical >techniques such as the electro-spray, the MALDI-tof, or FT-ms on the net? try murray's mass-spec page: http://tswww.cc.emory.edu/~kmurray/mslist.html there you will find a number of links to mass-spec groups and companies. you will also find a link to MassBank, at Rockefeller University, wherein you will find the MatrixDepot, with recipes and suggestions about many MALDI matrices. >Thanks, > >Kirk Newland >University of Nebraska >Mass-Spec Labs ****************************************************************************** From: xxalexx@ix.netcom.com (alex peper ) Subject: ambient air GC-MS Date: 5 Feb 1996 00:18:52 GMT Organization: Netcom Looking for methods to sample vehicle emission and background air with GC-MS. Presently only get one huge air peak. Alex ****************************************************************************** From: Jo Rita Jordan <76150.2171@CompuServe.COM> Subject: GC-MS-Ion Trap? Date: 5 Feb 1996 15:22:53 GMT Organization: Analytical Consumer Analytical Consumer's next survey covers users of GC-MS. I'm particularly looking for users of ion trap instruments. If you would be willing to answer a few questions about your equipment, drop me an e-mail note and I'll send you the questions. All participants get a free copy of the report when it is finished. Thanks, Jo Rita Jordan Editor, Analytical Consumer ****************************************************************************** From: mchem1@uconnvm.uconn.edu (Al Kind) Subject: Capillary LC columns Date: Mon, 05 Feb 1996 20:00:58 GMT Organization: Microchemistry Lab; Univ of CT,USA Greetings Fellow Chemists: I am seeking information regarding capillary columns for LC/MS. Is there a commercial supplier? Have any of you had experience with "home-made" columns? How is the efficiency? We currently use standard bore (4.6 x 250mm) columns and achieve 70k to 85k plates per meter. >>>>>>>>>>>>>>>>>>>> <<<<<<<<<<<<<<<<<<<< Albert J. Kind Technical Laboratory Manager Microchemistry Lab, University of Connecticut, USA voice/FAX :(860) 486-6126 ****************************************************************************** From: M.A.Warner@bham.ac.uk (Mark Warner) Subject: Software to recieve data from a mass-spectrometer through a serial interface Date: 5 Feb 1996 17:12:25 GMT Organization: University of Birmingham I'm urgently looking for some software that will allow me to hook up a mass-spectrometer to a PC. I'm doing a PhD research project which involves analysing the exhaled gases from birds. I have a mass-spectrometer (Model MGA2000 made by CASE Scientific Instruments) which will allow me to do this, unfortunately it is not currently wired up to a computer, so I can only get data onto a pen recorder, which is far from ideal. However, the mass-spec can output data in a digital format via a serial (RS232) interface. The data I wish to download are essentially oxygen and carbon dioxide concentrations which fluctuate over a period of time to provide a trace. So does anybody know of any software that will allow me to download this form of data via a serial interface onto a PC, and if you do where can I get it from, how much does it cost and what are the minimum requirements for a machine to run it? ****************************************************************************** From: rcivi@cts.com (Richard Civitate) Subject: Great New Source for Used Scientific Instruments http://www.sci-equip-ex.com. Date: 5 Feb 1996 19:34:33 GMT Organization: Scientific Equipment Exchange, Inc. Great New Source for Used Scientific Instruments http://www.sci-equip-ex.com. Scientific Equipment Exchange, Inc. announces its new WWW site at: http://www.sci-equip-ex.com. Your PREMIER source for High Quality Pre-Owned Laboratory and Scientific Research Equipment! If you are considering a purchase, or have equipment for sale, you shouldn't pass up this site! Visit it now! Then make it a Bookmark. See you there. ****************************************************************************** Date: Mon, 5 Feb 1996 14:46:18 -0500 From: apcprd1@peabody.sct.ucarb.com (Phil Price) Subject: exact mass calculations Saw the inquiry in the newsgroup about generating a list of plausible possibilities from an exact mass. I've been using "MS Calculator 4". It is available as a module in Chemintosh (by Softshell), and can output the maps to an EXCEL spreadsheet. Craig Shelley, the author, was REALLY helpful getting it adjusted to "a Mass Spectroscopist's needs". (Rings + double bonds, nitrogen rule, etc.) If you need more specifics, or an example, get back to me. Softshell can be reached at info@softshell.com Phil Dr. Philip C. Price (304) 747-5594 Union Carbide Technical Ctr. FAX: (304) 747-5430 Bldg. 770-120 Kanawha Turnpike S. Charleston, WV 25303-0361 ****************************************************************************** From: Toby Subject: Semiconductors Date: 5 Feb 1996 18:41:46 GMT Organization: GEC Plessey Semiconductors Are there any www sites that are of any interest to people in Semiconductor that anybody knows about. Cheers Toby ****************************************************************************** Date: Mon, 05 Feb 1996 22:24:39 +0000 (GMT) From: fan@pangea.usask.ca (Jhianzong Fan) Subject: How to overcome space charge effect Organization: University of Saskatchewan Recently, I had a problem in ICP-MS analysis. The sensitivity on low and midium mass of our ICP-MS were dramatically dropped after several day run, with 103Rh less than 1000 cps/ppb, whereas sensitivity on higher mass seems normal with 232Th about 2000 cps/ppb. The sensitivity will recover after the mchine rests for 2 or 3 days. I suspect that the drop of sensitivity on lower mass is caused by space charge effect which defocus ion beam. Does any expert on net have idea to solve this problem? Thanks in advance. J. Fan ICP-MS Lab Department of Geological Sciences University of Saskatchewan Saskatoon, SK, Canada, S7N 5E2 ****************************************************************************** From: guest@unsw.edu.au Subject: Microsphere Plate Detectors (or Ballitini detectors) Date: Tue, 06 Feb 1996 14:38:09 +1100 Organization: University of New South Wales I am considering trying one of the new Microsphere Plate Detectors in a TOF system. Has anyone had experience with one? I'd appreciate your comments if you have. I am particularly interested in: time resolution or output pulse width, noise count rate, pump-down time (if this is an issue), recovery time after a large pulse (what was the pulse size?), maximum output pulse size, ion detection efficiency, operational life-time (did it last longer or shorter than other detectors), anything that made it particularly easy or particularly difficult to use, and any "tricks" that might help. Thanks. ****************************************************************************** From: JOERG.HAU@01.CHLSNR.nestrd.ch Date: Tue, 6 Feb 1996 09:27:39 +0100 Subject: Re: Serial data transfer Mark Warner asked for "some software that will allow me to hook up a mass-spectrometer to a PC [...] the mass-spec can output data in a digital format via a serial (RS232) interface [...] So does anybody know of any software that will allow me to download this form of data via a serial interface onto a PC [...] ?" I assume that you are looking for a terminal program with file transfer capabibities. There are several packages available (even the "built-in" terminal of MS-Windows), and another very versatile package is Kermit. The homepage at Columbia university is http://www.columbia.edu/kermit/ Basically, it's available free. Note that "Most Kermit software [...] is copyrighted. It is not in the public domain, it is not shareware, it is not commercial." See their copyright notice for details. The hardware requirements are very low; the MS-DOS version runs even on 8088 (yes, XT!) computers. It is very powerful and uses command-line syntax, thus its use may require a little habituation. And there may be another problem: Do you have the information to decode the downloaded data? If you can capture the Pen Plotter output, you may have HPGL which you can import directly to most word processing or graphics software; thus no problem. Otherwise, you'll need the data format. Good luck, Joerg ---------------------------------------------------------------- Dr. Joerg Hau Nestl'e Research Centre Phone : ++41 21 785-8069 Vers-chez-les-Blanc Fax : ++41 21 785-8566, -8554 Case postale 44 Net : Joerg.Hau@chlsnr.NestRD.ch CH-1000 Lausanne 26 X.400 : S=HAU; G=JOERG; OU=CHLSNR; Switzerland P=NESTRD; A=400NET; C=CH ---------------------------------------------------------------- "These words are my own and not necessarily those of Nestl'e." ---------------------------------------------------------------- ****************************************************************************** From: "Per Sj\berg" Subject: Re: MS exact mass software? Date: 6 Feb 1996 09:44:11 GMT Organization: Dep. of Analytical Chemistry.UU.Sweden Mike Herauf wrote: >I'm looking for a program that will provide a set empirical formulas from >the input of its exact mass, say to 0.0001 amu. There is one program available for Macintosh made by JED Software (James Deline) called Molecular Fragment Calculator (MF Calc). It= calculates all of the possible molecular formulas for a given mass, and allows the user to control the mass tolerance as well as th= e list of possible elements to search for. The program is a freeware and can be found at for example http://www.jumbo.com/home/mac/math/mfcalc.sit.hqx.docs Per Sjoberg Uppsala University Dept. of Analytical Chemistry Uppsala, Sweden ****************************************************************************** From: E.A.Underwood@exeter.ac.uk Subject: Formulae from masses (fwd) Date: Tue, 6 Feb 1996 15:31:08 +0000 (GMT) I've got a Kratos Analytical machine with Mach3 software. There is a very useful feature in the Atom program which calculates all compositions from a selected range (eg C1-20, H 10-40, N 0-5 etc) and shows the deviation of any fit to an aquired masses. The permitted deviation can be set by the user. I use it all the time for peak matching in accurate mass. I don't know if the program is available on its own, though. Hope this is some help. Eric Underwood Chemistry Exeter University England ****************************************************************************** From: greg@sciex.com (Greg King) Subject: Re: Software to recieve data from a mass-spectrometer through a serial interface Date: Tue, 06 Feb 1996 17:13:41 -0500 Organization: SCIEX What format is the data in and what protocols does your instrument use? You may have better luck using a commercial analog capture package with an analog to digital convertor to acquire the analog output that is currently going to the pen recorder. Unfortunately, I don't know of any cheap systems. One of the more popular is LabView from National Instruments, but it is very pricey. Myself, I would just get hold of an ADC and write the software. Good Luck, Greg -- Greg King SCIEX 71 Four Valley Drive Concord, Ontario, Canada (905) 660-9006 ext 201 greg@sciex.com ****************************************************************************** From: pesincorp@aol.com (PESincorp) Subject: SIMION 3D version 6.0 Date: 6 Feb 1996 15:22:22 -0500 Organization: America Online, Inc. (1-800-827-6364) SIMION 3D, version 6.0 is now available from Princeton Electronic Systems, Inc. For more information see below or: Tel: USA (609) 799-5695 FAX: (609) 799-7743 e-mail: pesinc@pluto.njcc.com WWW: hhtp://pluto.njcc.com/~pesinc/ Simion 3D version 6.0 is a PC based electron and ion optics simulation program. Simion is a powerful design tool for mass spectrometers and any other instruments that rely on ion optics. In addition, it can serve as a mechanism for the simulation of electron lenses and devices based on the focusing or other manipulation of electrons. Users of previous versions of Simion will see that Simion 3D 6.0 is a completely new version of the Simion family, not only because it has 3D simulation features that no previous Simion versions had, but also because it has a brand new stand alone enhanced graphics user interface. Users of Simion 3D 6.0 will no longer need to buy any third party interface software (such as GCS GUI). Simion 3D 6.0 can model complex problems using an ion optics workbench which can hold up to 200 2D and/or 3D electrostatic/magnetic potential arrays within a workbench volume of up to 8 cubic km. Arrays can have up to 10,000,000 points. Simion 3D's 32-bit virtual Graphics User Interface provides a highly interactive advanced user environment. All potential arrays are visualized as 3D objects that the user can cut away to inspect ion trajectories and potential energy surfaces. User programs have been greatly extended in versatility and power. A new geometry file option supports the definition of highly complex array geometry. Extensive algorithm modifications have dramatically improved this version's computational speed and accuracy. Ions can be flown singly or in groups, displayed as lines or flying dots, and automatically re-flown to provide movie effects when needed. Examples of the problems that can be modeled by Simion 3D 6.0 include ion source and detector optics, time-of-flight instruments, ion traps, quadrupoles, Cathode Ray Tubes and other displays using electrons and ion optics, and ICR cells. More complicated systems or even entire instruments can also be modeled. Hardware Requirements: Minimum Recommended CPU 386 or above with numeric coprocessor 486, Pentium or P6 (the faster the better) RAM 8 MB (Intel Extender Version) 16 MB (Rational Extender Version) 32 MB or more DISK 100 MB - 50 MB free 1,000 MB or more - most free Video VGA - 14 inch color Monitor VGA (w/VESA BIOS SVGA), 20 inch color mon. Printer Any printer that supports: PostScript, HPGL, HPGL2, or PCL5 A newer printer with RISC speed (Color is preferable also) Software Requirements: Operating systems: Runs as a 32 bit extended DOS program in DOS (5.0 or above), Windows (3.xx, NT-Intel, or ‘95), OS/2 (2.x or Warp). Mouse Drivers: Requires that a DOS mouse driver be active (e.g. MOUSE.COM). Software is provided on three 3.5” floppy disks and is hardware protected with a parallel port key. About Princeton Electronic Systems Princeton Electronic Systems is a high-tech company whose research and development staff consists of nearly 20 engineers and scientists, many of whom are Ph.Ds. PES is currently working on the development of a variety of software and hardware products including the improvement of SIMION 6.0 for its own applications as well as its customers’ needs. PES has been involved in the research and development of ion optic systems for several years and is now using SIMION to design and build a high performance miniature ion neutral mass spectrometer for use in NASA's missions. The company also has a strong alliance with the David Sarnoff Research Center, which has developed the world's most advanced three dimensional particle trajectory simulation software used to design color TV picture tubes, high performance display systems and other electron beam and magnetic deflection systems for commercial customers and the US government. PES's team of scientists, engineers and software developers are committed to further upgrading SIMION for higher performance design and to integrating new capabilities that cater to a wider user community. The following describes some features which PES plans to incorporate into the SIMION package in the future. Future SIMION upgrades PES is planning to add the following upgrades to SIMION 3D 6.0 in the future. These upgrades will be introduced to the market as they are developed. The upgrades which are introduced before the end of June 1997 will be offered free of charge to those customers who buy SIMION 3D 6.0 during 1996 from Princeton Electronic Systems, Inc.!!! 1. Poisson solver and capability to model space-charge effects Currently SIMION does not solve Poisson equations and therefore cannot accurately model the space charge effect, which is a very important effect when the beam current is high and when the beam is tightly focused. This upgrade will allow much more accurate modeling of the space charge effect. 2. File sharing capability with AutoCAD and other CAD packages This upgrade will allow SIMION to use and output AutoCAD and other CAD files. This will tremendously reduce the work load for the time consuming geometry modeling. 3. Multidimensional optimization capability With this new feature, SIMION will automatically optimize multiple parameters according to user specified goals. This will increase the design efficiency significantly. 4. C environment for user programming The user will be able to program under C for the user program. They will no longer need to spend time to learn the PRN language required by the current SIMION. 5. On-line data visualization capability Important data, such as velocity and acceleration, will be displayed graphically as the data is being collected. More data, such as transmission, will be added to the data visualization and data recording list. 6. Library of parts Lenses, aperture plates, quadrupoles, etc., which can be easily modified according to individual requirements, will be included. This is very useful to both new and veteran users. 7. Family of Runs Batch mode for fast designing, automatic processing of data and report generation. 8. Improved device definition Much improved and extremely flexible device definition will include parametrically defined parts, interconnections and an automatic operating condition setup. pesincorp@aol.com ****************************************************************************** From: kyeager@emrtc.nmt.edu Subject: Finnigan GCQ Date: Wed, 07 Feb 1996 00:57:18 GMT Organization: New Mexico Insitute of Mining and Technology I am thinking of purchasing a Finnigan GCQ for my research group. In the past I used the TSQ, and found it an impressive machine. Could anybody gives me some input on the quality of the GCQ, its software, etc.. Anything to help with my decision would be appreciated. Thank you in advance. Kirk ****************************************************************************** From: guest@unsw.edu.au Subject: Microsphere plate Detectors (or Ballitini Detectors) Date: Wed, 07 Feb 1996 17:08:59 +1100 Organization: University of New South Wales This is a repost as my first post didn't contain my email address: I am considering trying one of the new Microsphere Plate Detectors in a TOF system. Has anyone had experience with one? I'd appreciate your comments if you have. I am particularly interested in: time resolution or output pulse width, noise count rate, pump-down time (if this is an issue), recovery time after a large pulse (what was the pulse size?), maximum output pulse size, ion detection efficiency, operational life-time (did it last longer or shorter than other detectors), anything that made it particularly easy or particularly difficult to use, and any "tricks" that might help. Thanks. M.Guilhaus@unsw.edu.au ****************************************************************************** From: Ludwig Gruber Subject: Re: GC-MS-Ion Trap? Date: 7 Feb 1996 11:50:35 GMT Organization: FhILV You wrote: >Analytical Consumer's next survey covers users of GC-MS. I'm >particularly looking for users of ion trap instruments. If you would >be willing to answer a few questions about your equipment, drop me >an e-mail note and I'll send you the questions. All participants get >a free copy of the report when it is finished. > I=B4m willing to answer some questions, but I would like to have some additional informations about your background. Regards Ludwig Gruber ****************************************************************************** Date: Wed, 07 Feb 1996 14:41:46 +0000 (GMT) From: david.bunk@NIST.GOV (D.M. Bunk) Subject: Re: Capillary LC columns Organization: NIST In article <4f5fb2$3if@acmex.gatech.edu>, mchem1@uconnvm.uconn.edu says... > >Greetings Fellow Chemists: > >I am seeking information regarding capillary columns for LC/MS. Is there >a commercial supplier? Have any of you had experience with "home-made" >columns? How is the efficiency? We currently use standard bore (4.6 x >250mm) columns and achieve 70k to 85k plates per meter. > >>>>>>>>>>>>>>>>>>>>> <<<<<<<<<<<<<<<<<<<< >Albert J. Kind >Technical Laboratory Manager >Microchemistry Lab, University of Connecticut, USA >voice/FAX :(860) 486-6126 I have found three suppliers of capillary LC columns: Phenomenex (310/212-0555) MetaChem Technologies (310/793-2300) LC Packings (800/621-2625) and there are probably others. I also pack my own 320 um id capillaries. I am doing separations of proteins and peptides on a reverse phase media (Vydac C8 and C18), an area where how well the column is packed is not extremely important due to the singular on/off nature of the retention mechanism. I have found that my self-packed columns provide me with the same quality separations as the commercial ones. David Bunk Analytical Chemistry Division National Institute of Standards and Technology Gaithersburg, MD USA ****************************************************************************** From: sasrdt@unx.sas.com (Randall D. Tobias) Subject: ANNOUNCEMENT: 1996 GRC on Statistics in Chemistry Originator: sasrdt@shewhart.unx.sas.com Date: Wed, 7 Feb 1996 18:15:09 GMT Organization: SAS Institute, Inc. 1996 Gordon Research Conference on Statistics in Chemistry and Chemical Engineering Queens College, Oxford, United Kingdom August 25 (Sunday night) to August 30 (Friday noon), 1996 Chair: Age K. Smilde, University of Amsterdam, The Netherlands Vice-chair: Lyle Ungar, University of Pennsylvania, USA Web site: http://analserv.chem.uva.nl/gordon.htm Program 1. Statistical Methods for Extreme Values o Speaker: Jonathan Tawn (University of Lancaster, UK) o Discussant: Paul Geladi (University of Umea, Sweden) o Moderator: Dennis Keller (Real World Quality Systems, USA) 2. International Competition of Nonlinear Prediction Methods o Panel leader: Dick Deveaux (Williams College, USA) o Panel Members: Agnar Hoskuldsson (Danish Technical University, Denmark), Barry Wythoff (Eastman Kodak, USA), Julian Morris and Elaine Martin (University of Newcastle, UK), Sijmen de Jong (Unilever Research, Netherlands) 3. Classification of proteins. Do genetic algorithms work for (phylo)genetic problems? o Speaker: Paul Lewi (Janssen Research Foundation, Belgium) o Discussion: Ton Steerneman (University of Groningen, The Netherlands) o Moderator: Randy Tobias (SAS Institute, USA) 4. Issues in Nonlinear Parameter Estimation and Multivariate Model Discrimination: Applications in Polymer Reaction Engineering o Speakers: Tom Duever and Alexander Penlidis (University of Waterloo, Canada) o Discussant: Anthony Atkinson (London School of Economics, UK) o Moderator: Valery Fedorov (Oak Ridge National Laboratories, USA) 5. Discriminant and Canonical Variate Analyses with high-dimensional data o Speaker: Wojtek J. Krzanowski (University of Exeter, UK) o Discussant: Cajo ter Braak (DLO-Agricultural Mathematics Group, Netherlands) o Moderator: Ingram Olkin (Stanford University, USA) 6. Self-modeling curve resolution: theory, applications and new developments o Speaker: Willem Windig (Eastman Kodak, USA) o Discussant: Roma Tauler (University of Barcelona, Spain) o Moderator: Aloke Phatak (CSIRO, Australia) 7. Dealing with Missing Data in Statistical Analysis o Speaker: Don Rubin (Harvard University, USA) o Discussant: Abdel El-Shaarawi (National Water Research Institute, Canada) o Moderator: Dave Bacon (Queens University, Canada) 8. Visualization of Massive Data Sets o Speaker: Dan Carr (George Mason University, USA) o Discussant: Gerry Hahn (GE Corporation, USA) o Moderator: Kim Esbensen (Telemark College, Norway) 9. Unsolved Problems and Partial Solutions in Multivariate Statistical Process Control o Speaker: Stephanie Butler (Texas Instruments, USA) and Barry Wise (Eigenvector Technologies, USA) o Discussant: Bert Skagerberg (Astra Hassle, Sweden) o Moderator: Christos Georgakis (Lehigh University, USA) For applications to attend the conference contact: Dr. C.B Storm Gordon Research Conferences University of Rhode Island Kingston, RI 02881 tel: (401) 783-4011 email: grc@grcmail.grc.uri.edu To submit abstracts for poster session papers contact: Lyle Ungar Department of Chemical Engineering University of Pennsylvania 220 South 33rd St Philadelphia, PA 19104-6393 tel: 215-898-7449 Fax: 215-573-2093 email: ungar@cis.upenn.edu For further information on other aspects of the conference, contact: Age K. Smilde Laboratory for Analytical Chemistry Nieuwe Achtergracht 166 1018 WV Amsterdam The Netherlands tel: 31-20-525-5062 Fax: 31-20-525-6638 email: asmilde@anal.chem.uva.nl Grants to GRC for beginning researchers offered through generous donations from MathWorks, Inc. and the Statistics Division of the American Society for Quality Control, grants are availabe to pay for registration, lodging, and food for beginning researchers to attend the 1996 Gordon Research Conference on Statistics in Chemistry and Chemical Engineering. Grant recipients will be responsible for their own travel expenses. These grants are available to individuals who have received their highest degree since May 1993 or who are still in Graduate School and who are involved in research in statistics, chemistry, or chemical engineering. Applications should consist of a letter of interest, a resume, a letter of recommendation from a major professor, research supervisor, or colleague familiar with the applicant's research record, and an abstract of the research to be presented in the conference poster session. For considerations at the first decision point, applications must be received by the conference vice chair by May 15, 1996. Please send applications (4 copies) for these grants to Lyle Ungar, Department of Chemical Engineering University of Pennsylvania 220 South 33rd St Philadelphia, PA 19104-6393 USA email: ungar@cis.upenn.edu with a copy to the conference chair Age K. Smilde, Laboratory for Analytical Chemistry Nieuwe Achtergracht 166 1018 WV Amsterdam The Netherlands email: asmilde@anal.chem.uva.nl Applicants must also apply directly to the conference itself by contacting: Dr. C.B. Storm, Gordon Research Conferences University of Rhode Island Kingston, RI 02881 (401) 783-4011 email: grc@grcmail.grc.uri.edu -- Randy Tobias SAS Institute Inc. sasrdt@unx.sas.com (919) 677-8000 x7933 SAS Campus Dr. 72450.2545@compuserve.com (919) 677-8123 (Fax) Cary, NC 27513-2414 Faith, faith is an island in the setting sun. But proof, yes: proof is the bottom line for everyone. -- Paul Simon ****************************************************************************** From: Kevin Hart Subject: MSDG (East Tennessee) Announcement Date: 7 Feb 1996 21:05:44 GMT Organization: Oak Ridge National Laboratory The next meeting of the East Tennessee Mass Spectrometry Discussion Group will be held on Thursday, February 15th, at The Mill in Knoxville (4429 Kingston Pike, in the Western Plaza Shopping Center). The speaker for this meeting will be Dr. J. Thomas Brenna of the Division of Nutritional Sciences, Cornell University. Dr. Brenna will present a talk entitled, "High Precision Carbon and Hydrogen Isotope Analysis: Instrumentation and Applications of the Next Century". The meeting will begin at 6:00pm in the bar with dinner commencing at 6:30pm. Dr. Brenna will begin his talk at approximately 7:30pm. A fixed price menu of 8oz prime rib or roasted half-chicken @ $13.64 (incl. meal, beverage&tip) will be observed. RSVP with Kevin Hart, Secretary, ETMSDG at HartKJ@ornl.gov. ****************************************************************************** From: mamartin@novice.uwaterloo.ca (Mike Martin) Subject: Helium Mass-Spec for leak detection Date: Wed, 7 Feb 1996 22:41:53 GMT Organization: University of Waterloo For a project at work I am involved in designing a helium mass-spectrometer leak detector for automobile evaporators. I have a good number of questions which I haven't been able to answer. If anyone knows anywhere on the net with info regarding leak-detection with a helium mass-spec, please E-mail me. Thanks for your help. Mike Martin mamartin@novice.uwaterloo.ca ****************************************************************************** From: rcivi@cts.com (Richard Civitate) Subject: Great New Source for Used Scientific Instruments http://www.sci-equip-ex.com. Date: 7 Feb 1996 23:28:13 GMT Organization: Scientific Equipment Exchange, Inc. Great New Source for Used Scientific Instruments http://www.sci-equip-ex.com. Scientific Equipment Exchange, Inc. announces its new WWW site at: http://www.sci-equip-ex.com. Your PREMIER source for High Quality Pre-Owned Laboratory and Scientific Research Equipment! If you are considering a purchase, or have equipment for sale, you shouldn't pass up this site! Visit it now! Then make it a Bookmark. See you there. ****************************************************************************** From: M.Guilhaus@unsw.edu.au (Michael Guilhaus) Subject: Re: How to overcome space charge effect Date: Thu, 08 Feb 1996 12:31:57 +1100 Organization: The University of New South Wales In article <4f607q$r75@acmex.gatech.edu>, fan@pangea.usask.ca (Jhianzong Fan) wrote: > Recently, I had a problem in ICP-MS analysis. It sounds more like you have a problem with surface charging: non-conductive layers building up on surfaces in your ion optics. Space charge is a phenomenon which occurs when the net density of charges either + or - is sufficient to create forces which expand the charges during transit through the device. This is usually the case in ICPMS and it is difficult to control. Space charge disappears as soon as the ion beam does. However, if your ion beam hits surfaces which cannot pass the current to ground (or wherever) the charge accumulates and creates a potential just great enough to repel the ions until the rate of ion impact on the surface equals the rate at which those charges can be conducted away. This can typically be seen as an initial "normal" ion current which drops away exponentially over seconds or minutes. It can be restored by turning off the ion beam and waiting for the charge to disipate. In ICP there is a big mass-dependent energy spread of ions due to the supersonic expansion. This dictates that the surface charging will affect low mass ions (less energetic) more than high mass ions as appears to be your observation. In your case the recovery may be related to the vacuum system removing (slowly) the layer of whatever from your optics. You might want to check that you haven't got oil vapour condensing on your optics and generally consider if it is time to remove and clean-up lens stacks etc. Hope this helps. ----------------------------------- Associate Professor Michael Guilhaus School of Chemistry The University of New South Wales SYDNEY 2052 AUSTRALIA phone: +61 (0)2 385 4717 fax: +61 (0)2 385 5958 email: M.Guilhaus@unsw.edu.au ----------------------------------- ****************************************************************************** From: xxx@yyy.berkeley.edu Subject: Tabletop GC/MS wanted Date: 8 Feb 1996 23:02:32 GMT Organization: University of California, Berkeley We would like to purchase a used GC/MS ssystem. An autosampler would be preferable. Please respond to jschwarz@nature.berkeley.edu Thanks. J.M. Schwarz ****************************************************************************** From: j.aggarwal@lhn.gns.cri.nz Subject: Unstable Ion beams Date: Fri, 09 Feb 1996 01:22:59 GMT Organization: Victoria University of Wellington, New Zealand. To All Thermal Ionisation Mass Spectrometrists I am currently trying to obtain B stable isotope ratios by negative ion thermal ionisation mass spectrometry. I am using a single collector VG MM30B TIMS. I have noticed that in many of the test samples that I have run to date, the ion beam intensities vary so much that I am unable to obtain precise isotope ratios. I have examined the filament temperatures with an optical pyrometer and looked at the stablity of the HT supply and they all seem okay. I have noticed that with the 3 samples (of seawater) that I am currently looking at, one of the filamenst runs really well, one okay and one really poor. If I move the filaments to other positions within the carousel, I still find that the bad one runs badly etc. I am therefore forced to conclued that unstable ion beams are a pure function of what is happeneing on the filament. Does anyone have any suggestions as to how to improve the stability of the ion beams ? I've heard of someone loading samples onto Ta2O5 on Re filemnts to improve ion beam stability. Are there any other balck box techniques that may improve my ion beams ? Cheers, Jugdeep Aggarwal ****************************************************************************** From: mccomb@cc.UManitoba.CA (Mark McComb) Subject: CE/MS Date: 9 Feb 1996 03:28:23 GMT Organization: The University of Manitoba Subject: CE/MS I am a graduate student at the University of Manitoba and have been given the task of constructing a CE/TOFMS. To date I have built the CE portion with a UV-Vis detector and have had some success in simple separations. I would like to here from anyone who works with CE, ESI-TOFMS, TOFMS, CE/MS in order to gain information and share ideas. If you do not wish to use the news groups you may contact me at: mccomb@cc.umanitoba.ca Mark McComb, PhD student. ****************************************************************************** From: Francis Beaudry Subject: P.E. Sciex API 300, HPLC/MS/MS instrument Date: 9 Feb 1996 03:37:23 GMT Organization: SPC I look for some feed back about the new LC/MS/MS instrument sale by SCIEX, the API 300. How this instrument behave vs API 3 or TSQ 7000 from finigan. -- Francis Beaudry fbeaudry@laurentides.mtl.net URL http://laurentides.mtl.net ****************************************************************************** From: "Dr. Ken MacNeil" Subject: British Mass Spectrometry Society Organization: University of Bristol, England Date: Fri, 9 Feb 1996 15:55:53 GMT Is there an address for subscription to the BMSS? My subscription has lapsed and I have lost contact.Is there a Home Page? Ken MacNeil, Bristol UK ****************************************************************************** Date: Fri, 9 Feb 1996 11:37:39 -0800 (PST) From: spban@eskimo.com (banerian) Subject: Ion trap: ion distribution Several of us in my lab are trying to understand the mechanics of Ion Traps, and in our discussions we have come to an impasse. We would like to beter understand the space distribution of ions trapped. We understand that a given ion may trace a path like a lissajous figure. But in considering a collection of ions, with respect to the applied frequency, what is the general "shape" of the collection of ions as a function of time. Some here feel that the z-axis shape, when the ion is most aligned along this axis, is "p-orbital" shaped; others feel that it looks like an extremely squashed ellipse. Also, we cannot get a good handle on the concept of the secular frequency of an ion in the ion trap. Assistance? thanks in advance. s banerian -- -- stef banerian spban@eskimo.com banerian@scn.org ****************************************************************************** From: iamchemist@aol.com (IAMCHEMIST) Subject: Re: GC/MS Analysis Cost Date: 10 Feb 1996 10:25:09 -0500 Organization: America Online, Inc. (1-800-827-6364) In reply to Jeff, Our Laboratory is also strictly in-house. For a true unknown I would spend 4 - 8 hours in data collection and up to 16 hours in interpretation, at $120/hr. That kind of sample is of the worst type. ****************************************************************************** From: Mike Head Subject: interLAB WWW Update Date: 11 Feb 1996 19:57:17 GMT Organization: interLAB SiA go on-line with interLAB interLAB has been appointed by the Scientific Instruments Association (SiA) to host their 1996 Conference and Exhibition details. In the SiA section you will find the complete list of papers being presented, the abstracts of which will be going on-line within a week or two, a complete directory of the 60 plus Exhibitors and a section for on-line registration. New Eventers We are pleased to welcome the following to interLAB: * KNF Neuberger with their range of Laboport pumps. * Elga - The Pure Water People. * Fisons Instruments (UK) with details of their Careplan programme. * National Instruments has introduced Instrupedia - a Free Interactive CD ROM Encyclopedia. * Unipath has new information on flexible hygiene monitoring. * The ever popular Laboratory News pages have also been updated. Coming soon Sanyo Gallenkamp along with a number of existing interLAB Eventers are expanding and updating their information within the next few days. In addition, we are currently awaiting copy from new manufacturers and service providers - so keep checking interLAB for the latest. http://www.interlab.co.uk/interlab Best regards Mike Head interLAB Web Master ****************************************************************************** From: rcivi@cts.com (Richard Civitate) Subject: Great New Source for Used Scientific Instruments Date: Sun, 11 Feb 1996 17:34:34 -0800 Organization: SEE Great New Source for Used Scientific Instruments http://www.sci-equip-ex.com. Scientific Equipment Exchange, Inc. announces its new WWW site at: http://www.sci-equip-ex.com. Your PREMIER source for High Quality Pre-Owned Laboratory and Scientific Research Equipment! If you are considering a purchase, or have equipment for sale, you shouldn't pass up this site! Visit it now! Then make it a Bookmark. See you there. -- Richard Civitate SEE rcivi@cts.com ****************************************************************************** From: sismspec@aol.com (Sismspec) Subject: SIMION 3D Date: 12 Feb 1996 11:28:55 -0500 Organization: America Online, Inc. (1-800-827-6364) SIMION 3D Version 6.0 is now available from: Scientific Instrument Services 1027 Old York Rd Ringoes, NJ 08551 For additional information of this powerful ion modeling software package visit our home page at: http://www.siseb.com or contact us at Phone: (908) 806-6631 FAX: (908) 806-6631 SIMION 3D is a PC based ion optics software program that can be used to study and analyze ion optics in both two and three dimensional modes or views. Electrostatic and magnetic potential arrays can be studied with this software to determine their effect on ion trajectories. It incorporates an ion optics workbench strategy that allows you to size, orient, and position up to 200 instances (3D images - or mirages) of these potential arrays within a workbench volume of up to 8 cubic km. Complex systems or even entire instruments can be modeled. Ions can be simulated, flown singly or in groups through the created geometry, displayed as lines or flying dots, and automatically be re-flown to provide movie effects when needed. Other features include data recording, charge repulsion, user programs, and geometry files. The result is a program that can model a wide range of problems including: mass spec ion source and detector optics, time-of-flight instruments, ion traps, quadrupoles, magnetic sectors, electrospray and thermospray systems, ICR cells and much more. The software is widely used by manufacturers and designers of mass spectrometers, electron microscopes, electron multipliers and other scientific instruments. Using this software, instrument designs have been perfected and the sensitivities of the instruments have been maximized. Here at Scientific Instrument Services we have been using this software to study mass spectrometer sources and filaments. Using this system we have been able to study the filament shape, the effect of filament shields and the effect of the filament magnet. This information is being used to design new filaments and other mass spec accessories which will be added to our product lines in the future. Several papers are presently being prepared for ASMS (June 1996). The original version of SIMION was an electrostatic lens analysis and design program developed by D. C. McGilvery at Latrobe University, Bundoora Victoria, Australia, 1977. SIMION for the PC was developed at the Idaho National Engineering Laboratory. SIMION 6.0 is a completely new version which contains major improvements over previous five versions. User programs have been greatly expanded and are more powerful. A new geometry file option supports highly complex array geometry. Extensive algorithm modifications have greatly improved the computational speed and accuracy. This C based program can model complex problems using an ion optics workbench that can hold up to 200 2-D and/or 3-D electrostatic or magnetic field arrays. These arrays can have up to 10,000,000 points which can be visualized as 3D objects that the user can cut away to inspect ion trajectories and potential energy surfaces. An ASMS Short course is being conducted at the 1996 ASMS meeting in Portland , OR on May 11-12, 1996. Call for more information. We are also planning several presentations on SIMION software applications at the meeting. John Manura Scientific Instrument Services Supplies and Services for Mass Spectrometers and other Scientific Instruments 1027 Old York Rd Ringoes, NJ 08551 Phone: (908) 788-5550 FAX: (908) 806-6631 Home Page: http://www.sisweb.com e-Mail: sis@sisweb.com John J. Manura Scientific Instrument Services Supplies and Services for Mass Spectrometers, Gas Chromatographs and related Scientific Instruments SIS Home Page: http://www.sisweb.com E-Mail: sismspec@aol.com Phone: (908) 788-5550 FAX: (908) 806-6631 ****************************************************************************** From: Steven Howell Subject: Re: British Mass Spectrometry Society Date: 12 Feb 1996 16:46:26 GMT Organization: MRC Human Genome Resource Centre "Dr. Ken MacNeil" wrote: >Is there an address for subscription to the BMSS? My subscription has > lapsed and I have lost contact.Is there a Home Page? > Ken MacNeil, Bristol UK > > The BMSS membership secretary is : Dr Frank Pullen Physical Sciences Pfizer Central Research Sandwich Kent CT13 9NJ UK Regards, Steven Howell, NIMR, London, UK ****************************************************************************** From: Mail@scri.sari.ac.uk Subject: VG Lab-base sequence editor macro/lab base users group Date: Mon, 12 Feb 1996 17:17:27 Organization: Scottish Crop Research Institute VG Organic used to have a users group for their now discontinued Lab-base software used by VG TRIO-1 and TRIO-1000 mass specs.This was intended to help the exchange of information ,macros etc between users of the instrumentation. The Lab-base software has now been replaced by their windows based MASS LAB software. Does the original users group still exist ? I would like to hear from anyone who has written a macro to list to a printer the following details of all entries in the autosampler sequence editor-ENTRY/RAWFILENAME/SAMPLE DESCRIPTION . Thanks G. W. ROBERTSON DEPT CHEMISTRY SCOTTISH CROP RESEARCH INSTITUTE DUNDEE DD2 5DA e mail: grober@scri.sari.ac.uk ****************************************************************************** From: rcivi@cts.com (Richard Civitate) Subject: Re: Tabletop GC/MS wanted Date: 12 Feb 1996 23:52:18 GMT Organization: Scientific Equipment Exchange, Inc. In article <4fe4pe$egg@acmex.gatech.edu>, xxx@yyy.berkeley.edu wrote: > We would like to purchase a used GC/MS ssystem. > An autosampler would be preferable. > > Please respond to jschwarz@nature.berkeley.edu > > Thanks. > > J.M. Schwarz Varian Saturn II GC/MS/PC available at http://www.sci-equip-ex.com -- Richard Civitate Scientific Equipment Exchange, Inc. rcivi@cts.com http://www.sci-equip-ex.com ****************************************************************************** From: jrwang@YorkU.CA (jrwang) Subject: Re: MALDI-tof matrix Date: 14 Feb 1996 04:00:28 GMT Organization: York University, Toronto On 5 Feb 1996 07:57:08 -0500, in article <4f4ur4$1k9@acmey.gatech.edu>, DAVID.DOGRUEL@ASU.Edu# says... > >In article <4f31h1$45l@acmey.gatech.edu>, > knewland@herbie.unl.edu (KIRK NEWLAND) wrote: >(deleted) > >>Also, does anyone know of a listing of corporations who use analytical >>techniques such as the electro-spray, the MALDI-tof, or FT-ms on the net? > > try murray's mass-spec page: > >http://tswww.cc.emory.edu/~kmurray/mslist.html I tried this site but it did not work. Is there an error with the address? Thank you, David. Jinru Wang York U ****************************************************************************** From: bigfish557@aol.com (Bigfish557) Subject: ASMS web site Date: 14 Feb 1996 15:40:40 -0500 Organization: America Online, Inc. (1-800-827-6364) Can anyone tell me the address for the ASMS web site? Thanks Tim Klein Northern Illionois University ****************************************************************************** From: Kevin Hart Subject: MSDG: East TN : New Location! Date: 14 Feb 1996 21:50:09 GMT Organization: Oak Ridge National Laboratory Due to the unexpected, temporary closure of The Mill Resturaunt due to snow damage, the previously announced meeting of the East Tennessee Mass Spectrometry Discussion Group on Thursday, Feb 15th, has moved to A NEW LOCATION (SAME DAY & TIME): Italian Market & Grill, Franklin Square, 9648 Kingston Pike, 690-2600. Please note the new location! RSVP's to Kevin Hart, 1-5187, HartKJ@ornl.gov would be appreciated. ****************************************************************************** From: Greg.Fulton@UAlberta.CA (Greg Fulton) Subject: HELP: Display 132000 points Date: 15 Feb 1996 00:07:35 GMT Organization: Department of Chemistry Hello I currently have some spectra that are about 132 000 points long. I can easily display them on a Macintosh (using Spectroplot (shareware) and IgorPro (not shareware but well worth the price)). I want to switch platforms to a PC but first I need a program that can load and manipulate 132 000 points (are there any?????? or is Mac a better platform for manipulating large data sets). Greg Fulton (followups to sci.techniques.spectroscopy please) ****************************************************************************** From: Dave Higton Subject: Re: ASMS web site Date: Thu, 15 Feb 1996 08:55:37 -0800 Organization: Glaxo Wellcome Bigfish557 wrote: > > Can anyone tell me the address for the ASMS web site? > > Thanks > Tim Klein > Northern Illionois University what you need is: http://www.trail.com/asms/ Dave ****************************************************************************** Date: Thu, 15 Feb 1996 05:23:05 -0800 (PST) From: spban@eskimo.com (banerian) Subject: Re: ASMS web site Organization: Eskimo North (206) For-Ever In article <4ftigc$jeq@acmey.gatech.edu>, Bigfish557 wrote: >Can anyone tell me the address for the ASMS web site? > >Thanks >Tim Klein >Northern Illionois University I don't have a web address for them, but some other information: ASMS American Society for Mass Spectrometry 1201 Don Diego Avenue Santa Fe, NM 87505 phone: 505-989-4517 fax: 505-989-1073 e-mail: 70404.2407@compuserv.com -- -- stef banerian spban@eskimo.com banerian@scn.org ****************************************************************************** From: nstn0256@fox.nstn.ca (Jeffrey D. Jones) Subject: EPA Methods wanted Date: 15 Feb 1996 14:31:19 GMT Organization: NSTN Inc. ICS/Windows Dialup User Does anyone have EPA Methods or could anyone please e-mail me an address where I can download. Thanks! Jeff Jones Environmental Technology Research Laboratories Inc. ****************************************************************************** From: pesincorp@aol.com (PESincorp) Subject: SIMION 3D Date: 15 Feb 1996 09:40:41 -0500 Organization: America Online, Inc. (1-800-827-6364) Simion 3D is available from Princeton Electronic Systems: Princeton Electronic Systems, Inc. P.O. Box 8627, Princeton, NJ 08543-8627 Phone: (609) 275-6500, Fax: (609) 799-7743 E-mail: PESInc@pluto.njcc.com, WWW: http://pluto.njcc.com/~pesinc/ Simion 3D 6.0 Simion 3D version 6.0 is a PC based electron and ion optics simulation program. Simion is a powerful tool for mass spectrometers and any other instruments that rely on ion optics. In addition, it can serve as a mechanism for the simulation of electron lenses and devices based on the focusing of electrons. Users of previous versions of Simion will see that Simion 3D 6.0 is a completely new version of the Simion family, not only because it has 3D simulation features that no previous Simion versions have, but also because it has a brand new stand alone enhanced graphics user interface. Users of Simion 3D 6.0 will no longer need to buy any third party interface software (such as GCS GUI). Simion 3D 6.0 can model complex problems using an ion optics workbench that can hold up to 200 2D and/or 3D electrostatic/magnetic potential arrays within a workbench volume of up to 8 cubic km. Arrays can have up to 10,000,000 points. Simion 3D's 32-bit virtual Graphics User Interface provides a highly interactive advanced user environment. All potential arrays are visualized as 3D objects that the user can cut away to inspect ion trajectories and potential energy surfaces. User programs have been greatly extended in versatility and power. A new geometry file option supports the definition of highly complex array geometry. Extensive algorithm modifications have dramatically improved this version's computational speed and accuracy. Ions can be flown singly or in groups, displayed as lines or flying dots, and automatically re-flown to provide movie effects when needed. Examples of the problems that can be modeled by Simion 3D 6.0 include: Ion source and detector optics, time-of-flight instruments, ion traps, quadrupoles, ICR cells. More complicated systems or even entire instruments can also be modeled. About Princeton Electronic Systems Princeton Electronic Systems is a high-tech company whose research and development staff consists of nearly 20 engineers and scientists, many of whom are Ph.Ds. PES is currently working on the development of a variety of software and hardware products including the improvement of SIMION 6.0 for its own applications as well as its customers’ needs. PES has been involved in the research and development of ion optic systems for several years and is now using SIMION to design and build a high performance miniature ion neutral mass spectrometer for use in NASA's missions. The company also has a strong alliance with the David Sarnoff Research Center, which has developed the world's most advanced three dimensional particle trajectory simulation software used to design color TV picture tubes, high performance display systems and other electron beam and magnetic deflection systems for commercial customers and the US government. PES's team of scientists, engineers and software developers are committed to further upgrading SIMION for higher performance design and to integrating new capabilities that cater to a wider user community. The following describes some features which PES plans to incorporate into the SIMION package in the future. Future SIMION upgrades PES is planning to add the following upgrades to SIMION 3D 6.0 in the future. These upgrades will be introduced to the market as they are developed. The upgrades which are introduced before the end of June 1997 will be offered free of charge to those customers who buy SIMION 3D 6.0 during 1996 from Princeton Electronic Systems, Inc.!!! 1. Poisson solver and capability to model space-charge effects Currently SIMION does not solve Poisson equations and therefore cannot accurately model the space charge effect, which is a very important effect when the beam current is high and when the beam is tightly focused. This upgrade will allow much more accurate modeling of the space charge effect. 2. File sharing capability with AutoCAD and other CAD packages This upgrade will allow SIMION to use and output AutoCAD and other CAD files. This will tremendously reduce the work load for the time consuming geometry modeling. 3. Multidimensional optimization capability With this new feature, SIMION will automatically optimize multiple parameters according to user specified goals. This will increase the design efficiency significantly. 4. C environment for user programming The user will be able to program under C for the user program. They will no longer need to spend time to learn the PRN language required by the current SIMION. 5. On-line data visualization capability Important data, such as velocity and acceleration, will be displayed graphically as the data is being collected. More data, such as transmission, will be added to the data visualization and data recording list. 6. Library of parts Lenses, aperture plates, quadrupoles, etc., which can be easily modified according to individual requirements, will be included. This is very useful to both new and veteran users. 7. Family of Runs Batch mode for fast designing, automatic processing of data and report generation. 8. Improved device definition Much improved and extremely flexible device definition will include parametrically defined parts, interconnections and an automatic operating condition setup. pesincorp@aol.com ****************************************************************************** From: casoich@pgh.nauticom.net (Craig Soich) Subject: Re: HELP: Display 132000 points Date: Thu, 15 Feb 1996 21:22:36 GMT Organization: Fantastic Creations In article <4fu1pa$36d@acmey.gatech.edu>, Greg.Fulton@UAlberta.CA (Greg Fulton) wrote: > Hello > > I currently have some spectra that are about 132 000 points long. I can > easily display them on a Macintosh (using Spectroplot (shareware) and > IgorPro (not shareware but well worth the price)). I want to switch > platforms to a PC but first I need a program that can load and manipulate > 132 000 points (are there any?????? or is Mac a better platform for > manipulating large data sets). > > Greg Fulton > > (followups to sci.techniques.spectroscopy please) A few years ago, I had the same problem of displaying large data sets on a PC. The only package that would do it at the time was Statistica, which was a pretty good statistics package, with macro programming capability, and graphing capability. Unfortunately, the graphic interface was, well, on a DOS program. -- Craig Soich CASoich@nauticom.net ****************************************************************************** From: Karen Jonscher Subject: Re: Ion trap: ion distribution Date: 16 Feb 1996 00:40:09 GMT Organization: University of Washington A good paper to read is "A Versatile Method of Simulation of the Operation of Ion Trap Mass Spectrometer" by H.P. Reiser, R.K. Julian and R.G. Cooks, International Journal of Mass Spectrometry and Ion Processes, 121 (1992) 49-63. The secular frequency is the fundamental frequency at which the ion trajectory oscillates and is proportional to "beta". The secular frequency primarily comes into play when resonance conditions are employed. Hope that helps. Karen Jonscher ****************************************************************************** Date: Fri, 16 Feb 1996 01:03:57 -0800 From: adjones@ucdavis.edu (A. Daniel Jones) Subject: Job available Please post the following position announcement on the sci.techniques.mass-spec Usenet newsgroup. Thank you. UNIVERSITY OF CALIFORNIA-DAVIS: Assistant/Associate Specialist - Mass Spectrometry/Analytical Chemistry - Duties: Participate in collaborative research and service; maintain mass spectrometers; method development; perform service analyses; assist and train instrument users. Requires a M.S. or Ph.D. degree in Analytical Chemistry or closely related discipline; strong English communication skills and expertise in at least two of the following: quantitative GC/MS and LC/MS; MALDI and electrospray ionization; high resolution mass spectrometry; and spectrum interpretation. Applicants should submit complete curriculum vitae, list of publications, and names and addresses of three references to: A. D. Jones, Director, Facility for Advanced Instrumentation, 9 Hutchison Hall, University of California, Davis, CA 95616 FAX: (916) 752-4412, e-mail: adjones@ucdavis.edu Closing: Applications must be received by 3/15/96 to receive full consideration A. Daniel Jones, Director Facility for Advanced Instrumentation 9 Hutchison Hall University of California, Davis Davis, CA 95616 USA E-mail: adjones@ucdavis.edu Phone: (916) 752-0284 FAX: (916) 752-4412 ****************************************************************************** From: pmayer@email.unc.edu (Paul Mayer) Subject: used mass spectrometers Date: 16 Feb 1996 13:34:12 GMT Organization: The University of North Carolina at Chapel Hill I am currently looking into purchasing a second-hand mass spec, either a triple-quad or sector (BE or EB). Anyone with information about where I could find one, or anyone interested in selling an instrument, please contact me at pmayer@email.unc.edu. Thanks in advance for all the help. Paul Mayer, UNC-CH ****************************************************************************** From: "Gregory G. Dolnikowski" Subject: Re: HELP: Display 132000 points Date: Fri, 16 Feb 1996 17:32:54 -0800 Organization: Tufts University There is a program called GRAMS/386 from Galactic Industries, that will display very large data sets. It can handle MS and GC/MS data sets from a large variety of manufacturers. It is a WINDOWS 3.1 program. I use it for all my difficult data sets. Gregory G. Dolnikowski dolnikows_ms@hnrc.tufts.edu ****************************************************************************** From: Greg.Fulton@UAlberta.CA (Greg Fulton) Subject: Re: HELP: Display 132000 points Date: 17 Feb 1996 14:37:14 GMT Organization: Department of Chemistry In article <4g0i3n$6u8@acmey.gatech.edu>, casoich@pgh.nauticom.net (Craig Soich) wrote: > In article <4fu1pa$36d@acmey.gatech.edu>, Greg.Fulton@UAlberta.CA (Greg > Fulton) wrote: > : Hello > : I currently have some spectra that are about 132 000 points long. I can > : easily display them on a Macintosh (using Spectroplot (shareware) and > : IgorPro (not shareware but well worth the price)). I want to switch > : platforms to a PC but first I need a program that can load and manipulate > : 132 000 points (are there any?????? or is Mac a better platform for > : manipulating large data sets). > : Greg Fulton > : (followups to sci.techniques.spectroscopy please) > A few years ago, I had the same problem of displaying large data sets on a > PC. The only package that would do it at the time was Statistica, which > was a pretty good statistics package, with macro programming capability, > and graphing capability. Unfortunately, the graphic interface was, well, > on a DOS program. > Craig Soich CASoich@nauticom.net Thanks for the suggestion. Do you have any contact information for them (e-mail, web page, snail mail, fax or phone) so that I can find some more out about the package. Greg Fulton ****************************************************************************** From: bspencer@cs.mcgill.ca (Brian SPENCER) Subject: Re: HELP: Display 132000 points Date: 17 Feb 1996 18:00:37 GMT Organization: SOCS, McGill University, Montreal, Canada In article <4fu1pa$36d@acmey.gatech.edu> Greg.Fulton@UAlberta.CA (Greg Fulton) writes: >Hello > >I currently have some spectra that are about 132 000 points long. I can >easily display them on a Macintosh (using Spectroplot (shareware) and >IgorPro (not shareware but well worth the price)). I want to switch >platforms to a PC but first I need a program that can load and manipulate >132 000 points (are there any?????? or is Mac a better platform for >manipulating large data sets). > >Greg Fulton > Take a look at a program called Grams. It is the Windows version of LabCalc and it easily handles my 100 000 data points. Of added advantage is that it can import data files formats from most of the major instrument manufacturers in the areas of spectroscopy, chromatography, etc...It costs about $800 Cdn. (may be lower now). If anyone is interested, I can put you in touch with one distributor of Grams that I know of in Toronto. Brian Spencer ****************************************************************************** From: Dan White Subject: Hank DeQuasey Date: 19 Feb 1996 04:49:01 GMT Organization: The Internet Port, Inc. In the late 60's and early 70's, Hank DeQuasey (sp?) was Professor of Isotope Geology at the University of Utah. He later went to Colorado and then on to the (I think) State University of New York at Albany. If anyone knows Hank, I would like to rekindle an old friendship. Dan White danwhite@inetport.com ****************************************************************************** From: "K. Murray" Subject: Re: MALDI-tof matrix Date: 19 Feb 1996 15:24:01 GMT Organization: Emory University jrwang@YorkU.CA (jrwang) wrote: >On 5 Feb 1996 07:57:08 -0500, in article <4f4ur4$1k9@acmey.gatech.edu>, >DAVID.DOGRUEL@ASU.Edu# says... >: >:http://tswww.cc.emory.edu/~kmurray/mslist.html > >I tried this site but it did not work. Is there an error with the address? >Thank you, David. > This is the correct address. The campus network is pretty slow from about 1:00 to 4:00 EST, so either try off hours or give it a chance to load. If it still doesn't work, contact your system administrator. ***************************************** Kermit K. Murray mailto:kmurray@emory.edu http://tswww.cc.emory.edu/~kmurray/ ****************************************************************************** From: "K. Murray" Subject: Re: HELP: Display 132000 points Date: 19 Feb 1996 15:33:52 GMT Organization: Emory University bspencer@cs.mcgill.ca (Brian SPENCER) wrote: >Take a look at a program called Grams. It is the Windows version of >LabCalc and it easily handles my 100 000 data points. Of added advantage >is that it can import data files formats from most of the major >instrument manufacturers in the areas of spectroscopy, chromatography, >etc...It costs about $800 Cdn. (may be lower now). If anyone is >interested, I can put you in touch with one distributor of Grams that I >know