****************************************************************************** From: IET Ltd Date: 2 Jan 2006 12:08:54 -0800 Subject: refurbished thermo lc/ms/ms Organization: * IET Ltd http://www.ietltd.com sales...@ietltd.com (remove the ...) IET Ltd. is an authorized Thermo Finnigan Reseller *THERMO FINNIGAN NEW ARRIVALS* Thermo Finnigan DECA XP PLUS LC/MS/MS Thermo Finnigan DECA LC/MS/MS Thermo Finnigan Quantum LC/MS/MS Thermo Finnigan AQA LC/MS Thermo Finnigan LCQ Classic LC/MS/MS Thermo Finnigan TSQ 7000 LC/MS/MS with API I More IET MASS SPECTROMETERS Micromass Quattro Ultima LC/MS/MS Micromass Q-TOF USA Applied Biosystems Sciex API 2000 LC/MS/MS Applied Biosystems Sciex API 150 MCA LC/MS Shimadzu LCMS 2010 BIOTECHNOLOGY Applied Biosystems Prism 7900 HT Real Time PCR Cohesive 2303 HTLC with CTC HTS Pal Perceptive Biosystems Voyager-DE STR Hewlett Packard 1100 isocratic pumps Beckman Coulter LS 200 particle size analyzer Genomics Solutions GeneTAC Hybridization Station Perkin Elmer Pyris 1 DSC Waters 650E Advanced Protein Purification System NMR Varian Mercury MVX 300 MHz NMR Varian Gemini 200 NMR Spectrometer Varian Inova 500 MHz NMR Varian Unity 500 MHz NMR Bruker AC 300 Plus NMR Spectrometer Bruker Avance DMX 300 MHz NMR Bruker 3mm NMR MicroCryoProbe (500 MHz) Jeol 400 MHz Eclipse and FT NMR Spectrometer ELECTRON MICROSCOPES JEOL JSM-5600 LV Scanning Electron Microscope Jeol 6300F Scanning Electron Microscope For a complete list of our current inventory, please visit us on the web at http://www.ietltd.com or give us a call at 001.847.913.0777 or 1.800.438.4522. International Equipment Trading Ltd. 960 Woodlands Parkway Vernon Hills, IL 60061 http://www.ietltd.com Ph: 001.847.913.0777 Fax: 001.847.913.0785 sales...@ietltd.com (remove the ...) ****************************************************************************** From: Mike Sherrell Date: Tue, 3 Jan 2006 08:23:25 -0800 Subject: Mass specs, MALDIs available Organization: * Mass Specs, MALDIs available from Grizzly Analytical www.grizzlyanalytical.com For text string search in Outlook Express or Thunderbird, use. ctrl+shift+F; in Outlook use F4. **LC/MS, MS/MS, hybrids & Ion traps: ABI 4700: $195,000. Installation included. Q-Star Pulsar i: $150,000. Working well when manufacturer deinstalled. o-MALDI 2 source available separately. Q-Star Pulsar i: $175,000. Nanospray, turboionspray, MALDI source Q-Trap 4000: $345,000. Brand new; incl. install + 1 yr warr; both sources. Sciex API 3000: $135,000. US install, 90-day warranty included. API 3000 upgrade: $38,500. From Ionics. Increases sensitivity and (S/N) ratio at high flow rates to ~ that of an API 4000. Install incl. Sciex API 2000: $70,000. Installed, warranteed. Sciex API 2000: $105,000. Incl. Ionics EPQ3 upgrade to ~ API 3000. efficiency, install & warranty. Sciex API 2000 upgrade: $25,000. From Ionics. 4x sensitivity increase. Install, warranty included. Sciex 365 w/ EP10+: $149,000. Ionics upgrade; more sensitive than API 3000. Sciex API 365 upgrade: $109,000. 10x+ Ionics sensitivity upgrade; near-equal to 4000. Sciex API 150EX: $40,000. MCA upgraded to EX; identical performance. MAC or NT w/ Analyst 1.3, your choice. Incl. install. Sciex NT workstation: $2,500. Use to upgrade Macs on 150, 365, 2000, 3000. Sciex API III+: $35,000. Triple quad: ES, APCI; install, 30-day warr. incl. Sciex API III+ -wanted- For tax-deductible donation to a university. Sciex API I: $20,000. Single quad; more sensitive than the Sciex 150. + $20,000/installation and 1 year service contract. Sciex APCI source for API 150, 365, 3000: $7,000. Sciex MicroIon spray source: $7,900. For API 150, 300. or Q-Star. Very low flow. PE-ABI Mariner: $40,000. ESI-TOF. Price includes install, warranty. Agilent 1100 MSD Trap: $90,000. G2445A. 2002 model. ESI, APCI, APPI. Install extra. Agilent 1100 MSD: $73,000. A model. Includes 1100. HPLC, variable detector, install, 90-day warranty and training. Can be reconfigured. Agilent 1100 MSD: $40,000. Model A. Upgrade to Model D: +: $5,000. IonSpec ZSP MS/MS-FT: Price not set. ECD and IRMPD. Still under warranty. Call/email to discuss. Finnigan MAT 90. negotiable 13 mos. old; now. under factory svc. contract. Finnigan Quantum Discovery (no MAX): $190,000. Includes install, 1 year svc. Finnigan DECA XP+: $92,000. Incl. install, warranty. ESI, nanospray. Finnigan DECA XP: $70,000. Incl. install, warranty. Finnigan DECA: $49,500. Install, warranty included. Finnigan LCQ Classic: $49,000. ESI; Finnigan-certified. Install available. LCQ Classic ESI source: $7,500. New/unused ESI source. Finnigan AQA: $29,500, guaranteed installable. Finnigan TSQ 7000: $50,000. ES, API 1, install, 30-day warr. included. Finnigan TSQ 7000: $75,000. ES, API 2, Xcalibur, install, 30-day warr. included. Finnigan TSQ Classic: $150,000. 2004; GC and LC. HPLC, install, 1 yr. warr. included. Finnigan SSQ 7000: $45,000. ES, APCI; Excalibur 1.0; API 1 source; install incl. Workhorse triple quad. Finnigan TSQ 700: $30,000. Electrospray, APCI. Install included. Finnigan SSQ 710: $25,000. Electrospray, APCI, API 1, Alpha workstation, install included. Finnigan Mat ITS40. Offers considered. With Varian 3400. GC + A200s Auto Sampler. Bruker Esquire: $85,000. Ion trap. Incl. install, guaranteed. Hitachi M 8000: $82,000. Ion trap. 1999; excellent condition; incl. LC. Micromass LCT: offers considered. Includes Micromass certification. Call/email if interested. Micromass LCT API-oaTOF MS: $160,000. Sold new for: $260,000. in July 2000. Includes Waters HPLC. Micromass Quattro Ultima: $145,000. VB; Z-spray; APCI-Z. MicroMass-certified. Install included. Micromass Quattro IIZ: $149,000. Z-Spray. Includes install, warranty. Micromass Quattro II: $150-200K Price depends on whether you want installation, GC and/or HPLC. Micromass Quattro II: $87,500. ESI, APCI, Masslynx 3.5, install, warrantee. Micromass Quattro II: $7,500. For parts. Includes ESI. Call/email for details. MM/Waters ZMD 2000: $52,000. Install available. Micromass ZABSpec Ultima OA TOF: $89,000; offers considered. Mag sector/TOF hybrid. 1997 model. Good working order. Fisons VG 2000: <$100,000. Call or email for info. Fisons VG Trio: $25,000. LC + GC: 3000. amu; thermospray, EI/CI, HP 5890. included. Install, license & 90-day warr. + $14,500. VG Trio 2: $7,500. Electrospray; complete; parts or fixer-upper unit. Nermag R10c <$10,000. Like new; make offer. Finnigan MAT 90: $16,000. All parts intact, plus spares included. Micromass Autospec M: $179,000. Mag sector/TOF MS/MS. Incl. FPD, 5 sources, guar. eligible for svc. ($700K new) MM Autospec S: $24,000. FOB Germany. Install, warranty available. MM Autospec V: $24,000. FOB Germany. Install, warranty available. MM Autospec T: Call or email if interested. European location. Service and service contracts available for PESciex, Thermo-Finnigan and Micromass mass specs and ion traps: click here. **MALDI-TOFs: Voyager DE: $45,000. Installed, guaranteed. Voyager DE STR: $99,000. Includes install; guaranteed eligible for svc contract. Voyager DE Pro: $96,000. Incl. install, warranty. Voyager DE RP: $67,000. Extensively refurbished. Voyager RP: $44,000. Incl. install; service contracts avail. Will QC peptides; continuous extraction. Voyager Elite XL: $15,000. Incl. Vestec Multi-gauge, Advantec fraction collector. Voyager MALDI lasers: rebuilt; full warranty; ~2/3 price of new; install available. Call for info. Q-Star oMALDI 2 source: $55,000 or best offer. Mariner ESI-TOF: $30,000. Installed/guaranteed. Mariner ESI-TOF: $55,000. Incl. Integral HPLC; ideal for peptide QC. Incl. install, 90-day warr. Sequenom system: $215,000. 2001 model. Bruker BiFlex III, Oracle software, SpectroCheck, Reader and Jet. Installation incl. Sequenom MassARRAY Offers considered. 2001; HME system w/SpectroJET 384, Bruker Biflex III. Sequenom MassARRAY Offers considered. 7K system (2002), for genotyping. Current software. MicroMass Q-TOF API-US: $195,000. 2002. Nanospray and ESI. Micromass Reflectron: $110,000. Incl. MassPrep enclosed robotic sampler system. + $30,500/install. MicroMass LC-TOF: $90,000. API-LC/Orth. 2000 model. Manufacturer-certified. MicroMass TOF 2e-Spec: Call/email for details. 1999; many options; good working order. MicroMass Q-Tof Ultima Global: Call/email for details. Complete 2002 system. Micromass LCT: $75,000. ESI-TOF. Includes HPLC. Micromass Q-Tof 2: $95,000. 2000 model; Nanoflow-Z CapElectrophoresis electrospray. Install included. MicroMass Q-Tof 1: $65,000. Install included. Bruker MicrOTOF: $195,000. 2004 model; lease default. Incl. install, warranty. Bruker Reflex IV: $207,500. 2001 model; list: $300K. Incl. ion source, TOF analyzer, detector two NT processing stations. Bruker OmniFlex: $82,500. 2003 model; PSD option, 90-day warranty. Bruker Reflex III: $89,000. 1999 model; includes chiller, standalone AS-90. Bruker Biflex IV: Just in; call/email to discuss. Bruker Biflex III: $125,000; offers considered. Bruker Proflex III Offers considered. Excellent condition. LaserTec II: $75,000. By PerSeptive. 5 yrs. old; excellent condition. Thermo-Finnigan Dynamo: $55,000. Linear DE benchtop system; 2 yrs. old; pos/neg. Price includes ship, install, train, 90-day warr. Finnigan LaserMAT 2000: $25,000. Includes ship, install, 90-day parts warr. Kratos Kompac III Offers considered. Call or email if interested. Kratos Kompac II: $25,000. As is; complete but needs new laser. SRI custom design: $100,000. Ideal for SNP determination. Asking price. 384 samples/20 min. Can be tested. Finnigan MAT Vision 2000: $80,000. Reflectron. Includes install, 1 year warranty. VG Tof-Spec: $6,000. Or best offer. For parts; new laser card and other new.boards. Waters MALDI prep device: offers condered. Used only once. Includes plates and kits. MALDI targets Call/email for details. New state-of-the art targets. *Also available: service/contracts on Voyager, Finnigan and Micromass MALDIs **GC/Other MS:. Finnigan TSQ: $150,000. New style: post-TSQ, post-7000. LC+GC; incl. new Trace GC, CTC 200. autosampler, EI/CI, API 2 LC source. Install, 1 yr. warr. incl. Finnigan TSQ 7000: $67,500. GC/MS/MS; Excalibur; EI/CI; GC is extra. Can add LC interface. Finnigan GC/MS: Save $5K: buy our junker for $900 and save up to $5,890 trading it in on new one. Micromass VG70. SE: $45,000. Hi resolution GC/MS. MSI AutoConcept: $380,000. New; multiramp temp; Agilent GC and Agilent or CTC autosampler. Incl. install, 1-yr. warranty. Thermoquest GCQ: $30,000. GC/MS/MS; EI/CI; rebuilt; 90-day warranty. HP 5890. II/6972: $27,500. Install, warr. incl. +: $5K/autosampler. HP 5890II/5970A: $12,500. Refurbed, warranteed. +: $5K/autosampler. HP 5890A/5972B: $7,000. Many options available. HP 5988/5890A small: $s NCI, Hi-sensitivity upgrade, INET. HP 5989 MS engine: $28,500. 2000 amu mass range, pos/neg CI, APCI. Finnigan Trace 2000. Offers considered. 1998. EI/CI, autosampler, NIST library, Xcalibur. Finnigan MAT GCQ: $23,000. GC/MS/MS. EI/CI. Finnigan Magnum: $7,500. GC/MS Ion trap; incl. GC. Finnigan Voyager: $15,750. Split/splitless; MassLab; NIST; 90. day parts warranty. Finnigan Voyager GC-800. Top GC/MS: $24,500. Incl. Leap PAL autosampler, ToxLab software. Varian Saturn 2100T Offers considered. Ion trap GC/MS. 3 mos. old; incl. GC. SRS RGA: $5,900. Residual Gas Analyzer. 30-day warranty. Varian Saturn 2000 GC/MS: $10,000. GC-EI/CI-MS/MS, autosampler, DPI probe; working in lab now. Saturn 2000 GC/MS: $29,000. W/ Varian 3900 GC. Warranteed. Saturn 2000 GC/MS: $31,500. W/ Varian 3800 GC. Can add SIS and/or MS/MS. Warranteed. Leybold IQ 200. RGA: $9,500. Residual Gas Analyzer. 30-day warranty. Finnigan MAT SOLA: $50,000. Asking price. 8 yrs. old; incl. GF, hydrides gen. Finnigan T-30. Newstar Offers considered. FT-MS. Was: $1.4M in 1997. Price negotiable. JOEL HX 110. Offers considered. Tandem Mass spec. PE Elan 6000 ICP-MS: $70,000. Incl. autosampler, chiller; excellent cond. Micromass Platform ICP-MS <=$100K MegaFlow-Z Coaxial Probe. Micromass Platform ICP Hex-MS: $50,000. HP 4500. ICP-MS: $49,000. Series 200; 1999 model; enhanced mainframe. Regards, Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com ****************************************************************************** From: rsiegener@metaenv.com Date: 16 Jan 2006 08:17:08 -0800 Subject: Trace plot- line to Failed -error message Organization: * Hi All, We have an Agilent 6890/5973 GCMS running under MSD ChemStation D.01.02.16 15-June-2004. Occasionally, when we have a sequence running The instrument will inject a sample, the GC will run the oven program, but no data will be acquired. At the end of the run the error message "Trace Plot - Line To Failed" will appear along with the prompt that the sequence has been aborted and willneed to be restarted. Any ideas what causes this error? Thanks Ray ****************************************************************************** From: MaxStemmer@oleco.net Date: 18 Jan 2006 03:01:16 -0800 Subject: Looking for commercial Mass Spec Service Organization: * Hi there, I'm looking for a contract lab specialised in glycoprotein characterisation (ideally GLP/GMP compliant), offering MS Sequencing, Mapping and sugar analysis. Ideally in German speaking area or UK. Any recommendations and experiences highly appreciated! MAX ****************************************************************************** From: David Stranz Date: Wed, 18 Jan 2006 12:03:19 -0600 Subject: Re: Looking for commercial Mass Spec Service Organization: * MaxStemmer@oleco.net wrote in news:dqlm7b$co1$1@news-int2.gatech.edu: } Hi there, } } I'm looking for a contract lab specialised in glycoprotein } characterisation (ideally GLP/GMP compliant), offering MS } Sequencing, Mapping and sugar analysis. } Ideally in German speaking area or UK. } } Any recommendations and experiences highly appreciated! } } MAX } } } I would try M-Scan as a start. http://www.m-scan.com ****************************************************************************** From: MaxS Date: 19 Jan 2006 01:03:30 -0800 Subject: Re: Looking for commercial Mass Spec Service Organization: * Thanks for that, David. }From what I have seen on their website they seem very specialised on protein analysis. Do you or does anyone else have already worked with M-Scan? Any significant pro's/contra's about them? I have also heard of TopLab and Proteome Factory. Are they comparable to M-Scan? MAX ****************************************************************************** From: Chip Cody Date: 22 Jan 2006 05:01:02 -0800 Subject: ANNOUNCEMENT: JEOL USA web page URL changed Organization: * Note: Apologies to all of you who are offended by commercial announcements: I don't like to make commercial announcements to any newsgroup, but I don't know of any better way to get this information out to the web. -------------------- The website jeol.com was reorganized last year. That site: http://www.jeol.com is no longer the link to the JEOL USA site, where the mass spec tutorials, essays, and reference data reside. It is now the international portal to JEOL companies worldwide. To reach the JEOL USA site, you can go to http://www.jeolusa.com or follow the link from jeol.com to the Global Web Sites --> USA & Canada. The tutorials, essays, reference data, news items and US/Canada product pages can be reached from the Mass Spec link, or you can go directly to the mass spec home page. http://www.jeolusa.com/ms/ms.html The URLs for the tutorials have not changed -- only the links to access them from jeol.com Chip Cody (JEOL USA) ****************************************************************************** From: jack Date: Tue, 24 Jan 2006 08:00:02 -0800 Subject: how to chose a MS Organization: * We have a HP1000 series HPLC system and plan to buy a used mass spectrometer to run LC/MS. I have 2 questions. 1. what are the parameters determine the performance of a mass spectrometer? 2. How do I know the mass spectrometer is compatible with our HP 1000 HPLC system? Seems that there are so many mass spectrometers out there, any suggestion or recommendation? ****************************************************************************** From: Giacomo56 Date: Wed, 25 Jan 2006 20:36:51 -0600 Subject: Re: how to chose a MS Organization: * The 1100 HPLC will probably work with any LC/MS...the question is what do you want the MS to do? Application? Identification? Quantitation? This would be a good start.......budget in mind? More info would helpful....then we can guide you on our honest opinions... -- Giacomo56 } } } We have a HP1000 series HPLC system and plan to buy a used mass } spectrometer to run LC/MS. I have 2 questions. } } 1. what are the parameters determine the performance of a mass } spectrometer? } } 2. How do I know the mass spectrometer is compatible with our HP 1000 } HPLC system? Seems that there are so many mass spectrometers out there, } any suggestion or recommendation? } } ****************************************************************************** From: Joerg Hau Date: Thu, 26 Jan 2006 19:57:43 +0100 Subject: Re: how to chose a MS Organization: * Hi, On Tuesday 24 January 2006 17:00, jack wrote: } 1. what are the parameters determine the performance of a mass } spectrometer? It's you ... since only you will know exactly what defines "performance" for your purpose. In December 2002 this newsgroup had a nice thread about instrument selection; it's still online in David's archive [1] (search for "Instrument selection" in that text). } 2. How do I know the mass spectrometer is compatible with our HP 1000 } HPLC system? Ask the manufacturer. I'm serious: If you intend to buy a given second-hand system, ask if *this* system, with *this* software and *this* hardware, is capable of controlling *your* specific HPLC. To be on the safe side, tell them exactly what HPLC system you have, what modules, what firmware, and what connections to the PC. Once you have made up your mind and are going to "make the deal", write these things in the contract. Cheers + HTH, - Joerg [1] http://web.chemistry.gatech.edu/~bostwick/stms/2002.txt -- joerg dot hau at swissonline dot ch * Lausanne, Switzerland http://homepage.sunrise.ch/mysunrise/joerg.hau/ "All standard disclaimers apply". remove the obvious from my address to reply ****************************************************************************** From: lyhe@hotmail.com Date: 29 Jan 2006 01:23:21 -0800 Subject: isotope Dillution reference Organization: * Dear Madam/Sir: Can anybody tell me which company I can buy some isotope Dillution reference? Thank you for your help. My email: lyhe@hotmail.com ****************************************************************************** From: Gunter Kuhnle Date: 29 Jan 2006 18:54:12 GMT Subject: Interpretation of tandem MS spectra Organization: * Hallo, is there any recommendable book or review article about the interpretation of tandem MS spectra (with CID or CAD) - comparable e.g. to the McLafferty book)? Or some review article which could help getting basic information on the mechanisms that occur and how this knowledge could then be used for spectra interpretation? Thank you for your help! Best wishes, Gunter ****************************************************************************** From: Dave White Date: Sun, 29 Jan 2006 14:29:28 -0600 Subject: Re: isotope Dillution reference Organization: * wrote in message news:drileh$ah$1@news-int2.gatech.edu... } } Dear Madam/Sir: } } Can anybody tell me which company I can buy some isotope Dillution } reference? } } Thank you for your help. } In which country? What standards? ****************************************************************************** From: jameslittle@eastman.com Date: 29 Jan 2006 18:45:24 -0800 Subject: Re: Interpretation of tandem MS spectra Organization: * Never been able to find a book or good article. Several people teach courses such as Robert Voyskner (Pittcon 2006), also found the following link to a course.. http://www.enovatia.com/Filer/filetree/registration/interp_course_2006.pdf I think Voyskner will sell you the notes from his course with problem sets see http://www.lcmslimited.com/cidOutline.htm Gunter Kuhnle wrote: } Hallo, } } is there any recommendable book or review article about the } interpretation of tandem MS spectra (with CID or CAD) - comparable e.g. } to the McLafferty book)? Or some review article which could help } getting basic information on the mechanisms that occur and how this } knowledge could then be used for spectra interpretation? } } Thank you for your help! } } Best wishes, } } Gunter ****************************************************************************** From: David Sparkman Date: Mon, 30 Jan 2006 10:25:00 -0500 Subject: RE: Interpretation of tandem MS spectra Organization: * Gunter Interpretation of mass spectra obtained through CAD (CID) is no different that the interpretation of mass spectra obtained using electron ionization or any other ionization technique. First look for a peak that represents an ion that represents the intact molecule. If you are using APCI or ES, then look for ions that represent the protonated or deprotonated molecule. You must take into account the possibility of adduct ions being formed with solvent molecules and other molecules and/or ion endogenous to the sample and/or matrix. Apply the Nitrogen Rule to determine whether the analyte has an odd or even number of nitrogen atoms. If the analyte^Òs molecular mass is above 500 Da, don^Òt forget about mass defect. Use the intensity of isotope peaks to gain additional information about the elemental composition of the precursor ion and fragment ions. This is why it is best to include a range of m/z values when selecting the precursor ion so that you can follow the isotope patterns in the decomposition. If available, use accurate mass measurements to determine the elemental composition of the precursor ion and its fragments. Even if you have accurate mass measurements, don^Òt ignore isotope peak relative intensities. Look at the differences in the m/z values of the precursor and product ions. These differences represent the dark matter (neutral losses) in mass spectrometry. Keep in mind the Even-electron Rule, " The decomposition of even-electron ions are strongly influenced by the preference for the formation of an EE^+ ion and EE^) neutral." This is especially true for low-energy MS/MS that occurs in QITs and collision cells using triple-quads or hybrids (rearrangements dominate). Carefully look at hydride shift rearrangements of EE^+ fragment ions formed by the decomposition of molecular ions produced from aliphatic alcohols and amines by electron ionization. These same type rearrangements are often seen with protonated nitrogen and oxygen atoms in CAD reactions. Most people who are successful in determining structures of analytes from spectra obtained by CAD are well versed in the interpretation of EI mass spectra. Fragmentation of an ion always occurs by the breaking of chemical bonds and the loss of neutral species that conform to valence rules. Remember what McLafferty says, "All you are dealing with is the mass of the molecule and the masses of the pieces of the molecule." Regards; David O. David Sparkman Consultant-At-Large University of the Pacific ****************************************************************************** From: "Stephanie Miller" Subject: Job Opportunity (2 positions) Date: Mon, 30 Jan 2006 14:43:42 -0500 Organization: * ********************************************************************************************************** Position 1 Position Title: Lab Supervisor - GCMS Institution: Stephanie Miller, Search Consultant for NMS, Inc. City/State: Willow Grove, PA Date Available: Immediate Position Description, Requirements, Details: We are seeking a highly skilled analytical chemist to supervise personnel in the GCMS department and provide leadership for 10+ lab analysts whose primary responsibilities are to perform analyses, review and release results, and provide interpretation of results for abused and therapeutic drugs and toxic compounds in clinical and post-mortem samples. *Critical Function* Provide technical and management oversight to ensure that overall department operations remain optimized. This function includes, but is not limited to, instrument performance, proper functioning of methods currently in use, quality control, and development/validation of new and improved methods. The GCMS department provides results that are critical to both clinical outcomes and forensic investigations. *Qualifications* Degree in a chemical, physical, or biological science is required. 7 years of clinical experience including GCMS operations and analytical toxicology must accompany a bachelor's degree; 4 years experience are required for a master's, and 2 years for a Ph.D. Experience in SIM GCMS testing *Management Requirements* Candidate must have excellent interpersonal and mentoring skills and 2 to 3 years of demonstrated success in a management role. Familiarity with Agilent 6890 GC / 5973 MSDs and Chemstation is a plus. ********************************************************************************************************* Position 2 Position Title: Lab Supervisor ­ Forensic Screening Institution: Stephanie Miller, Search Consultant for NMS, Inc. City/State: Willow Grove, PA Date Available: Immediate Position Description, Requirements, Details: Critical Function; Provide management and technical oversight to ensure that overall department operations remain optimized. This function includes, but is not limited to, instrument performance, proper functioning of methods currently in use, quality control, and development/validation of new and improved methods. The Forensic Screening department provides results that are critical to forensic investigations. Qualifications;* Degree in a chemical, physical, or biological science is required. 7 years of clinical testing experience including GC operations and analytical toxicology must accompany a bachelor's degree; 4 years experience are required for a master's, and 2 years for a Ph.D. 3 to 5 years experience with forensic testing on post-mortem samples *Management Requirements* Candidate must have excellent interpersonal and mentoring skills and 2 to 3 years of demonstrated success in a management role. Familiarity with Agilent 6890 GC / 5973 MSDs and Chemstation is a plus. Submit Inquiries to: Stephanie Miller, Sr. Recruiter Phone: (410) 448-5172 Email: stephanie.millers@gmail.com ****************************************************************************** From: Michael Sherrell/Grizzly Analytical Date: Mon, 30 Jan 2006 22:19:15 GMT Subject: Re: ESI/MALDI-TOF Organization: * Not being very technical myself, I agree that my post about the Mariner may have been irrelevant to John Hill's needs, in which case I apologize for the distraction and waste of bandwidth. But there are only a couple of models of ESI-Tofs available, and if the Mariner were appropriate for his situation and he didn't realize it was available since it is not sold new anymore, it seemed to me he might be quite pleased at the rather substantial potential savings versus a new ESI-Tof. The way I look at it, if an individual posts that he/she is thinking about acquiring an instrument of a certain model or type, and I have available one that is less expensive than a new model, that individual is unlikely to know of its availability unless I reach out to him/her, and in fact may never have considered the possibility of buying a used instrument until the possibility is brought to their attention. But if my posts in response to such queries by list members is broadly annoying, in future I will not post such responses to the list at large. "David Stranz" wrote in message news:dk622k$bdo$1@news-int2.gatech.edu... } Michael Sherrell/Grizzly Analytical } wrote in news:djtl36$okp$1@news-int2.gatech.edu: } } } We have the Mariner ESI-Tof available for around US$40,000 } } installed ... } } } } Michael Sherrell } } Grizzly Analytical (USA) } } www.grizzlyanalytical.com } } } } While I recognize that it is your business to resell instruments, } interjecting blatant advertisements into otherwise technical } discussions is offensive and does more harm than benefit to your } company's image. You have done this in two separate threads in the } past few days. } } I do not object to you submitting new top-level posts clearly labeled } as "instruments for sale", but to reply to technical threads with } such is improper and inappropriate. } } I hope that the moderator will take note of this complaint and act to } discourage Mr. Sherrell from further such off-topic posting. } } David Stranz } } ****************************************************************************** From: Michael Sherrell/Grizzly Analytical Date: Mon, 30 Jan 2006 22:19:16 GMT Subject: Re: how to chose a MS Organization: * Jack, We have a couple of different Agilent 1100 MSDs available, the single quad and the ion trap. Either will work easily with any Agilent 1100 HPLC. The 1100 HPLC can also be readily married to Scioex and Finnigan MSDs, whether single or triple quad or ion trap. Agilent 1100 HPLCs are so widely used that the mass spec manufacturers make sure that their softwoare will accommodate them. Mike Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com "jack" wrote in message news:dr90mh$7pa$1@news-int2.gatech.edu... } } } We have a HP1000 series HPLC system and plan to buy a used mass } spectrometer to run LC/MS. I have 2 questions. } } 1. what are the parameters determine the performance of a mass } spectrometer? } } 2. How do I know the mass spectrometer is compatible with our HP 1000 } HPLC system? Seems that there are so many mass spectrometers out there, } any suggestion or recommendation? } } } ****************************************************************************** From: Werner Spahl Date: Thu, 2 Feb 2006 15:12:09 +0100 Subject: ESI background peaks? Organization: * Hello everyone, on our LTQ when using pure acetonitrile/water 50/50 with a flow of 200 ul for ESI, I can most often use m/z 239 (positive) and m/z 331 (negative) to tune, but I would like to know what peaks these are in case I'm tuning on some clusters that would favour cluster building of sample ions too. Does anyone here know what the composition of these peaks could possibly be? -- Dr. Werner Spahl (spahl@cup.uni-muenchen.de) ****************************************************************************** From: Werner Spahl Date: Fri, 3 Feb 2006 14:26:12 +0100 Subject: Re: ESI background peaks? Organization: * On Thu, 2 Feb 2006, Werner Spahl wrote: } on our LTQ when using pure acetonitrile/water 50/50 with a flow of 200 ul } for ESI, I can most often use m/z 239 (positive) and m/z 331 (negative) to Ok, I figured 239 out myself: It seems to be a cluster of two protonated triethylamines with chloride. TEA is often used by our customers here... -- Dr. Werner Spahl (spahl@cup.uni-muenchen.de) ****************************************************************************** From: mzpitman Date: 3 Feb 2006 10:17:13 -0800 Subject: Re: Interpretation of tandem MS spectra Organization: * Hi Gunter, Here are a few links to papers I found helpful http://www.proteomesoftware.com/Proteome_software_pro_protein_id.html Mass Spectrom. Rev. 1995; 14(1):49-73 The interpretation of collision-induced dissociation tandem mass spectra of peptides Papayannopoulos, IA I also think they're going to have a few break-out sessions covering this at ASMS. Hope that helps. Mark Pitman Proteome Software ****************************************************************************** From: Mike Sherrell Date: Fri, 3 Feb 2006 15:30:55 -0800 Subject: Mass specs, MALDIs available Organization: * Mass specs, MALDIs available from Grizzly Analytical mike@grizzlyanalytical.com, www.grizzlyanalytical.com, 707 887 2919 **LC/MS, MS/MS, hybrids & Ion traps: Q-Star Pulsar i: $150,000. Working well when manufacturer deinstalled. o-MALDI 2 source available separately. Q-Star Pulsar i: $175,000. Nanospray, turboionspray, MALDI source Q-Trap 2000: newly available; price under negotiaton. Call/email if interested. Sciex API 3000: $135,000. US install, 90-day warranty included. API 3000 upgrade: $38,500. From Ionics. Increases sensitivity and (S/N) ratio at high flow rates to ~ that of an API 4000. Install incl. Sciex API 2000: $70,000. Installed, warranteed. Sciex API 2000: $105,000. Incl. Ionics EPQ3 upgrade to ~ API 3000. efficiency, install & warranty. Sciex API 2000 upgrade: $25,000. From Ionics. 4x sensitivity increase. Install, warranty included. Sciex 365 w/ EP10+: $149,000. Ionics upgrade; more sensitive than API 3000. Sciex API 365 upgrade: $109,000. 10x+ Ionics sensitivity upgrade; near-equal to 4000. Sciex API 150EX: $40,000. MCA upgraded to EX; identical performance. MAC or NT w/ Analyst 1.3, your choice. Incl. install. Sciex NT workstation: $2,500. Use to upgrade Macs on 150, 365, 2000, 3000. Sciex API III+: $35,000. Triple quad: ES, APCI; install, 30-day warr. incl. Sciex API III+ -wanted- For tax-deductible donation to a university. Sciex API I: $20,000. Single quad; more sensitive than the Sciex 150. + $20,000/installation and 1 year service contract. Sciex APCI source for API 150, 365, 3000: $7,000. Sciex MicroIon spray source: $7,900. For API 150, 300. or Q-Star. Very low flow. PE-ABI Mariner: $40,000. ESI-TOF. Price includes install, warranty. Agilent 1100 MSD Trap: $90,000. G2445A. 2002 model. ESI, APCI, APPI. Includes install, 90-day warranty. Agilent 1100 MSD: $73,000. A model. Includes 1100. HPLC, variable detector, install, 90-day warranty and training. Can be reconfigured. Agilent 1100 MSD: $40,000. Model A. Upgrade to Model D: +: $5,000. IonSpec ZSP MS/MS-FT: Price not set. ECD and IRMPD. Still under warranty. Call/email to discuss. Finnigan MAT 90. negotiable 13 mos. old; now. under factory svc. contract. Finnigan Quantum Discovery (no MAX): $190,000. Includes install, 1 year svc. Finnigan LTQ-FT: $395,000. Delivery and install included. Finnigan DECA XP+: $85,000. Incl. install, warranty. Finnigan DECA XP: $85,000. Incl. install, warranty. Finnigan DECA: $49,500. Install, warranty included. Finnigan LCQ Classic: $49,000. ESI; Finnigan-certified. Install available. LCQ ESI source: $7,500 ($12K list). Finnigan AQA: $29,500, guaranteed installable. Finnigan TSQ 7000: $50,000. ES, API 1, install, 30-day warr. included. Finnigan TSQ 7000: $75,000. ES, API 2, Xcalibur, install, 30-day warr. included. Finnigan TSQ Classic: $150,000. 2004; GC and LC. HPLC, install, 1 yr. warr. included. Finnigan SSQ 7000: $45,000. ES, APCI; Excalibur 1.0; API 1 source; install incl. Workhorse triple quad. Finnigan TSQ 700: $30,000. Electrospray, APCI. Install included. Finnigan SSQ 710: $25,000. Electrospray, APCI, API 1, Alpha workstation, install included. Finnigan Mat ITS40. Offers considered. With Varian 3400. GC + A200s Auto Sampler. Bruker Esquire: $85,000. Ion trap. Incl. install, guaranteed. Hitachi M 8000: $82,000. Ion trap. 1999; excellent condition; incl. LC. Micromass LCT: offers considered. Includes Micromass certification. Call/email if interested. Micromass LCT API-oaTOF MS: $160,000. Sold new for: $260,000. in July 2000. Includes Waters HPLC. Micromass LCT: $47,000. Excellent condition; GE lease return. Micromass Quattro Ultima: $145,000. VB; Z-spray; APCI-Z. MicroMass-certified. Install included. Micromass Quattro IIZ: $149,000. Z-Spray. Includes install, warranty. Micromass Quattro II: $150-200K Price depends on whether you want installation, GC and/or HPLC. Micromass Quattro II: $87,500. ESI, APCI, Masslynx 3.5, install, warrantee. Micromass Quattro II: $7,500. For parts. Includes ESI. Call/email for details. MM/Waters ZMD 2000: $52,000. Install available. Micromass ZABSpec Ultima OA TOF: $89,000; offers considered. Mag sector/TOF hybrid. 1997 model. Good working order. Fisons VG 2000: <$100,000. Call or email for info. Fisons VG Trio: $25,000. LC + GC: 3000. amu; thermospray, EI/CI, HP 5890. included. Install, license & 90-day warr. + $14,500. VG Trio 2: $7,500. Electrospray; complete; parts or fixer-upper unit. Nermag R10c <$10,000. Like new; make offer. Finnigan MAT 90: $16,000. All parts intact, plus spares included. Micromass Autospec M: $179,000. Mag sector/TOF MS/MS. Incl. FPD, 5 sources, guar. eligible for svc. ($700K new) MM Autospec S: $24,000. FOB Germany. Install, warranty available. MM Autospec V: $24,000. FOB Germany. Install, warranty available. Mass spec sample introduction systems listed under liquid handlers, below. Service and service contracts available for PESciex, Thermo-Finnigan and Micromass mass specs and ion traps: click here. **MALDI-TOFs: Voyager DE: $45,000. Installed, guaranteed. Voyager DE STR: $99,000. Includes install; guaranteed eligible for svc contract. Voyager DE RP: $67,000. Extensively refurbished. Voyager RP: $44,000. Incl. install; service contracts avail. Will QC peptides; continuous extraction. Voyager Elite XL: $15,000. Incl. Vestec Multi-gauge, Advantec fraction collector. Voyager MALDI lasers: rebuilt; full warranty; ~2/3 price of new; install available. Call for info. Q-Star oMALDI 2 source: $55,000 or best offer. Mariner ESI-TOF: $30,000. Installed/guaranteed. Mariner ESI-TOF: $55,000. Incl. Integral HPLC; ideal for peptide QC. Incl. install, 90-day warr. Sequenom system: $215,000. 2001 model. Bruker BiFlex III, Oracle software, SpectroCheck, Reader and Jet. Installation incl. Sequenom MassARRAY Offers considered. 2001; HME system w/SpectroJET 384, Bruker Biflex III. Sequenom MassARRAY Offers considered. 7K system (2002), for genotyping. Current software. MicroMass Q-TOF API-US: $195,000. 2002. Nanospray and ESI. Micromass Reflectron: $110,000. Incl. MassPrep enclosed robotic sampler system. + $30,500/install. MicroMass LC-TOF: $90,000. API-LC/Orth. 2000 model. Manufacturer-certified. MicroMass TOF 2e-Spec: Call/email for details. 1999; many options; good working order. MicroMass Q-Tof Ultima Global: Call/email for details. Micromass LCT: $75,000. ESI-TOF. Includes HPLC. Micromass Q-Tof 2: $95,000. 2000 model; Nanoflow-Z CapElectrophoresis electrospray. Install included. MicroMass Q-Tof 1: $65,000. Install included. Bruker MicrOTOF: $195,000. 2004 model; lease default. Incl. install, warranty. Bruker Reflex IV: $207,500. 2001 model; list: $300K. Incl. ion source, TOF analyzer, detector two NT processing stations. Bruker OmniFlex: $82,500. 2003 model; PSD option, 90-day warranty. Bruker Reflex III: $89,000. 1999 model; includes chiller, standalone AS-90. Bruker Biflex IV: Just in; call/email to discuss. Bruker Biflex III: $125,000; offers considered. Bruker Proflex III Offers considered. Excellent condition. LaserTec II: $75,000. By PerSeptive. 5 yrs. old; excellent condition. Thermo-Finnigan Dynamo: $55,000. Linear DE benchtop system; 2 yrs. old; pos/neg. Price includes ship, install, train, 90-day warr. Finnigan LaserMAT 2000: $25,000. Includes ship, install, 90-day parts warr. Kratos Kompac III Offers considered. Call or email if interested. Kratos Kompac II: $25,000. As is; complete but needs new laser. SRI custom design: $100,000. Ideal for SNP determination. Asking price. 384 samples/20 min. Can be tested. Finnigan MAT Vision 2000: $80,000. Reflectron. Includes install, 1 year warranty. VG Tof-Spec: $6,000. Or best offer. For parts; new laser card and other new.boards. Waters MALDI prep device: offers condered. Used only once. Includes plates and kits. *Also available: service/contracts on Voyager, Finnigan and Micromass MALDIs **GC/Other MS: Finnigan TSQ: $150,000. New style: post-TSQ, post-7000. LC+GC; incl. new Trace GC, CTC 200. autosampler, EI/CI, API 2 LC source. Install, 1 yr. warr. incl. Finnigan TSQ 7000: $67,500. GC/MS/MS; Excalibur; EI/CI; GC is extra. Can add LC interface. Finnigan GC/MS: Save $5K: buy our junker for $900 and save up to $5,890 trading it in on new one. Micromass VG70. SE: $45,000. Hi resolution GC/MS. MSI AutoConcept: $380,000. New; multiramp temp; Agilent GC and Agilent or CTC autosampler. Incl. install, 1-yr. warranty. Thermoquest GCQ: $30,000. GC/MS/MS; EI/CI; rebuilt; 90-day warranty. HP 5890. II/6972: $27,500. Install, warr. incl. +: $5K/autosampler. HP 5890II/5970A: $12,500. Refurbed, warranteed. +: $5K/autosampler. HP 5890A/5972B: $7,000. Many options available. HP 5988/5890A small: $s NCI, Hi-sensitivity upgrade, INET. HP 5989 MS engine: $28,500. 2000 amu mass range, pos/neg CI, APCI. Finnigan Trace 2000. Offers considered. 1998. EI/CI, autosampler, NIST library, Xcalibur. Finnigan MAT GCQ: $23,000. GC/MS/MS. EI/CI. Finnigan Magnum: $7,500. GC/MS Ion trap; incl. GC. Varian Saturn 2100T Offers considered. Ion trap GC/MS. 3 mos. old; incl. GC. SRS RGA: $5,900. Residual Gas Analyzer. 30-day warranty. Saturn 2000 GC/MS: $29,000. W/ Varian 3900 GC. Warranteed. VG Trio GC/MS: $15,000. Good working order; can be inspected. Fisons MD800: $17,000. Good working order; can be inspected. Leybold IQ 200. RGA: $9,500. Residual Gas Analyzer. 30-day warranty. Finnigan MAT SOLA: $50,000. Asking price. 8 yrs. old; incl. GF, hydrides gen. Finnigan T-30. Newstar Offers considered. FT-MS. Was: $1.4M in 1997. Price negotiable. JOEL HX 110. Offers considered. Tandem Mass spec. PE Elan 6000 ICP-MS: $70,000. Incl. autosampler, chiller; excellent cond. Micromass Platform ICP-MS <=$100K MegaFlow-Z Coaxial Probe. Micromass Platform ICP Hex-MS: $50,000. HP 4500. ICP-MS: $49,000. Series 200; 1999 model; enhanced mainframe. Regards, Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com ****************************************************************************** From: marc rosen Date: 4 Feb 2006 17:56:33 -0800 Subject: will D isomers fragment just like L isomers? Organization: * Hey gang, I set up an LC/MS/MS on Friday to run over the weekend so I'll see these results Monday. The method is a standard one that I developed to detect prodrugs and free drugs that we've made in our lab. One of my colleagues produced a D isomer of our usual prodrug, PEPTIDE-q-l-FREEDRUG. In the regular compound it is PEPTIDE-Q-L-FREEDRUG and is cleaved by its enzyme between the Q & L. My MRM uses the transition pair 891/216 to detect the free drug. I did not have any D isomer free drug to characterize so I'm using the standard MRM for running animal samples (plasma and tumor homogenates) and basing the concentration of any free drug detected on a standard calibration curve. I am confident that I will see the same transition pair but since I've never encoutered this before I was wondering if anybody has experience with D isomer peptides not behaving the same way in a mass spec. (API3000 triple quad) Thanks in advance for your comments. Marc ****************************************************************************** From: Koen Date: Wed, 08 Feb 2006 00:54:45 GMT Subject: peptide mapping software Organization: * Hi, There is a lot of software available to calculate a peptide map of a protein. But they all seem to do be based on the standard digestion protocol: denature, reduce, protect free C-SH, digest. Anyone know if there is one that calculates the peptide map with the disulfide bonds still intact? thanks, - Koen. ****************************************************************************** From: David Stranz Date: Wed, 08 Feb 2006 08:51:42 -0600 Subject: Re: peptide mapping software Organization: * Koen wrote in news:dsct33$6q1$1@news-int2.gatech.edu: } Hi, } } There is a lot of software available to calculate a peptide map } of a protein. But they all seem to do be based on the standard } digestion protocol: denature, reduce, protect free C-SH, digest. } Anyone know if there is one that calculates the peptide map with } the disulfide bonds still intact? } } thanks, } } - Koen. } } I think that if you look more carefully at these software products, I think you will find that they have an option to digest the protein with disulfide bonds intact. This is a pretty standard protocol in peptide mapping - otherwise, there would be no way to find the SS linkages. All of the commercial packages can do this, as far as I know. Some open-access tools that suppport this are: PeptideMass software from Swiss-Prot: http://www.expasy.org/tools/peptide-mass-doc.html (select "nothing (in reduced form)" for the Cys modification option. MS-Bridge at UCSF: http://prospector.ucsf.edu/ucsfhtml4.0/msbridge.htm David ****************************************************************************** From: Koen Date: Wed, 08 Feb 2006 23:43:16 GMT Subject: Re: peptide mapping software Organization: * In article , David Stranz wrote: } MS-Bridge at UCSF: } http://prospector.ucsf.edu/ucsfhtml4.0/msbridge.htm Thanks for the pointer to MS-Bridge. - Koen. ****************************************************************************** From: waz Date: Sun, 12 Feb 2006 02:08:28 GMT Subject: Re: will D isomers fragment just like L isomers? Organization: * marc rosen wrote: } } Hey gang, } I set up an LC/MS/MS on Friday to run over the weekend so I'll see } these results Monday. The method is a standard one that I developed to } detect prodrugs and free drugs that we've made in our lab. One of my } colleagues produced a D isomer of our usual prodrug, } PEPTIDE-q-l-FREEDRUG. In the regular compound it is } PEPTIDE-Q-L-FREEDRUG and is cleaved by its enzyme between the Q & L. } My MRM uses the transition pair 891/216 to detect the free drug. I did } not have any D isomer free drug to characterize so I'm using the } standard MRM for running animal samples (plasma and tumor homogenates) } and basing the concentration of any free drug detected on a standard } calibration curve. } I am confident that I will see the same transition pair but since I've } never encoutered this before I was wondering if anybody has experience } with D isomer peptides not behaving the same way in a mass spec. } (API3000 triple quad) } Thanks in advance for your comments. } Marc I think your tests will show it does cleave in the same position. A true mirror image of a compound will have the same bond energies. Wazungy2@removethisTelus.net ****************************************************************************** From: Jacek Date: 14 Feb 2006 06:38:47 -0800 Subject: Problems with installing the HP7673 autosampler onto HP5890 GC Organization: * Hello, I have got an old autosampler set (HP 7673). It is in 100% OK, as it were running few years ago on the other system. I would like to run it on my GC HP5890 chromatograph. I have mounted and connected all the parts: mounting plate, the injector module, tray module and the controller. I have connected controller with the INET network of GC and defined the autosampler in the method on the computer. Nevertheless after starting the run the system does not see the autosampler. Perhaps the device or its settings shoud be defined somewhere in the system files of the computer or controlling program (HPCHEM from HP)? I will aprreciate any idea which could help in solving that puzzle. Best regards Jacek ****************************************************************************** From: rlmobil Date: Tue, 14 Feb 2006 23:49:31 +0100 Subject: Re: Problems with installing the HP7673 autosampler onto HP5890 GC Organization: * Hello Jacek, which datasystem do you have? Chemstation? Then Agilent should be able to help (or their manuals do it) If the GC is attached to a MS system, which one is it? Which software? This might require a different setup in the hardware also. Rainer ****************************************************************************** From: Giacomo56 Date: Wed, 15 Feb 2006 01:27:05 -0600 Subject: Re: Problems with installing the HP7673 autosampler onto HP5890 GC Organization: * Hi Jacek, If you are using a "INET" connection then it will never work with a computer...as the "INET" was only used if the GC was attached to an integrator. IF you have a computer then the control box of the 7673 should have an HPIB card which is daisy chained to the back of the 5890GC which should also have an HPIB card which is then connected to an HPIB card that is inserted into your computer, only then the 7673 tower/tray will be recognized by the computer..... -- http://www.vroc.org/view_profile.php?user_id=17566 "Jacek" wrote in message news:dssue4$g83$1@news-int.gatech.edu... } Hello, } I have got an old autosampler set (HP 7673). It is in 100% OK, as it } were running few years ago on the other system. } I would like to run it on my GC HP5890 chromatograph. } I have mounted and connected all the parts: mounting plate, the } injector module, tray module and the controller. I have connected } controller with the INET network of GC and defined the autosampler in } the method on the computer. } Nevertheless after starting the run the system does not see the } autosampler. Perhaps the device or its settings shoud be defined } somewhere in the system files of the computer or controlling program } (HPCHEM from HP)? } I will aprreciate any idea which could help in solving that puzzle. } Best regards } Jacek } } ****************************************************************************** From: jpz Date: 15 Feb 2006 06:13:01 -0800 Subject: MSI Autoconcept Organization: * Hi, MSI (exKratos) is closed. Unfortunately I've got an Autoconcept and I'm looking for the electronic schematics to perform the maintenance. Do you know where I could find this documents ? Thank you ****************************************************************************** From: Kendall Date: Thu, 16 Feb 2006 01:48:59 GMT Subject: Re: will D isomers fragment just like L isomers? Organization: * } Hey gang, } I set up an LC/MS/MS on Friday to run over the weekend so I'll see } these results Monday. The method is a standard one that I developed to } detect prodrugs and free drugs that we've made in our lab. One of my } colleagues produced a D isomer of our usual prodrug, } PEPTIDE-q-l-FREEDRUG. In the regular compound it is } PEPTIDE-Q-L-FREEDRUG and is cleaved by its enzyme between the Q & L. } My MRM uses the transition pair 891/216 to detect the free drug. I did } not have any D isomer free drug to characterize so I'm using the } standard MRM for running animal samples (plasma and tumor homogenates) } and basing the concentration of any free drug detected on a standard } calibration curve. } I am confident that I will see the same transition pair but since I've } never encoutered this before I was wondering if anybody has experience } with D isomer peptides not behaving the same way in a mass spec. } (API3000 triple quad) } Thanks in advance for your comments. } Marc } so, Marc, what were the results? ****************************************************************************** From: Colin_ruan Date: Wed, 15 Feb 2006 17:49:52 -0800 (PST) Subject: need help for mat900 Organization: * Hi, Is anybody has experience with MAT900? The ESI source of our MAT900-trap in our lab is not working. On the computer screen, the spray voltage is always at the maximum when I set it to any value. And the temp of heated metal capillary is no response too, the temp is at the maximum. But the inlet (for reference) is heated when I start the ICIS software. The software can control other parts, like potentials of ESI lenses. I changed the high voltage power supply and ESI source with spare parts from another instrument, but made no difference. Also tried reset, still did not work. Thanks! Chunhai Ruan __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com ****************************************************************************** From: Werner Spahl Date: Thu, 16 Feb 2006 15:42:36 +0100 Subject: Re: need help for mat900 Organization: * On Wed, 15 Feb 2006, Colin_ruan wrote: } working. On the computer screen, the spray voltage is always at the } maximum when I set it to any value. And the temp of heated metal } capillary is no response too, the temp is at the maximum. But the inlet This sounds as if the safety switch it not getting contact that turns the high voltages on when putting the spray head to the interface. Try pushing this with a pencil and watch if the values on screen go down. -- Dr. Werner Spahl (spahl@cup.uni-muenchen.de) ****************************************************************************** From: "lmatthews@nanotherapeutics.com" Date: 16 Feb 2006 09:04:27 -0800 Subject: source contamination Organization: * My lab got a used Platform LC. I have got it hooked up and running but I have background noise like crazy. I am exhausting all of my options before having a service tech come in... The ions I see are 226, 312, 368, and 410 - 410 is the base peak. I see it at ~1.3e^8 counts withthe conditions I am monitoring it with. I see it best with organic solvents. I have changed my gas line, cleaned the regulator, changed the steel capillary and tip in the probe(ESI) and cleaned all areas in the probe that I can. I cleaned the source components very thoroughly down to the hexapole. I have also changed the peek tubing and fittings everywhere. I get the same ions whether I hook up the LC or an infusion pump. Does anyone have any ideas? If so I'd greatly appreciate them. Thanks, Laura ****************************************************************************** From: chimiste Date: 20 Feb 2006 02:45:50 -0800 Subject: analysis of l-arginine by LC/MS (ESI) Organization: * Hello everybody! I'm a new member of this group, because i've a big problem in that day. I'm trying to analyse L-arginine in water by LC/MS. I've got a good signal in MS infusion, but i've got problem with the HPLC Method. My peek is always in the t0 of the column. Finally, with a column of 125*2mm 5µ and a mobile phase 100% water + 0.3% TFA (pH 1.43!!!!!!), i've gat a retention time of 1.9min. I'm trying to have a better retention time, but i don't succeed. Please excuse my poor english, i wish you have understood my problem. Thanks for your help. Chimiste. ****************************************************************************** From: Wolf359 Date: 21 Feb 2006 00:37:28 -0800 Subject: ICP-MS Organization: * Hello everybody, Does someone knows a good tutorial about ICP-MS, except the one of Robert Thomas, from the spectroscopymag.com? I was google it, but I found nothing so far. Any hint would be appreciated, Thank you. ****************************************************************************** From: fcarrera@almirall.es Date: Tue, 21 Feb 2006 10:30:01 +0100 Subject: Re:analysis of l-arginine by LC/MS (ESI) Organization: * Hi, As you have a LC problem (not a MS problem), you should try LC solutions. The best way could be changing the column. There are some C18 columns designed to retain compounds at 100%H2O (Atlantis C18 or similar), but maybe you should use some special column for polar compounds like Atlantis Hilic (both are from Waters, but you can find similar phases from other brands). If you have bad results even using those columns you could try to derivatize your sample (there are several aminoacid derivatives suitables for LC-MS). You can also increase your detection limits with the derivatization. Good luck! Francesc Carrera Identification & Early Analytical Development Almirall prodesfarma Barcelona - Catalonia chimiste wrote: Hello everybody! I'm a new member of this group, because i've a big problem in that day. I'm trying to analyse L-arginine in water by LC/MS. I've got a good signal in MS infusion, but i've got problem with the HPLC Method. My peek is always in the t0 of the column. Finally, with a column of 125*2mm 5=B5 and a mobile phase 100% water + 0.3% TFA (pH 1.43!!!!!!), i've gat a retention time of 1.9min. I'm trying to have a better retention time, but i don't succeed. Please excuse my poor english, i wish you have understood my problem. Thanks for your help. Chimiste. ++++++++++++++++++++++++++++++++++ _______________________________________________________________________________ ______ The information contained in this facsimile/electronic message is proprietary and confidential and is only and exclusively addressed to the named recipient(s). We have to advise you that any use, copying or distribution of the above referred information by any unintended recipient may be illicit and result in damage, harm and loss to the sender and/or to the intended recipient(s). If you have received this message in error, please immediately notify us. _______________________________________________________________________________ ______ ****************************************************************************** From: bizzwire Date: 21 Feb 2006 07:57:58 -0800 Subject: Analyst Script question Organization: * We're using Analyst 1.3 on an API 150 for screening purposes. I'm trying to automate the process as much as possible and would like to take advantage of whatever innate automation that the software has to offer. I have written a program which generates batch lists which analyst can import. So far, so good. The molecular weight for each sample is included as a custom column in the batch list. What I would really like to do is spit out a hardcopy following each injection which includes the folowing: 1. UV chromatogram 2. MS TIC (ES+) 3. XIC chromatogram of the M+H Ion 4. Spectrum of the the largest peak in the XIC trace There is a processing script which the vendor provided which *almost* works, but it seems to crap out whenever it tries to plot spectra and/or XICs. Does anyone have any experience with this sort of application, or knows of an alternative script/macro/approach which might work? Thanks in advance ****************************************************************************** From: bizzwire Date: 21 Feb 2006 08:10:29 -0800 Subject: Re: source contamination Organization: * Sounds like you might have a contamination problem outside the mass spec. Dirty solvents (including water) and fluidic pathways (including the syringe) should be suspected. Toss all solvents and replace all your tubing. make up fresh mobile phase using solvents and modifiers of the highest grade, and use only modifiers whose purity you are absolutely sure of (start with unopened bottles whenever possible). Consider any mobile phase reservoirs to be contaminated. Give the system a good, long flush with both aqueous and organic solvents up to and including the probe. While you're doing this, clean the source again. Good luck. Contamination problems are a bitch. ****************************************************************************** From: Kendall Date: Wed, 22 Feb 2006 01:31:56 GMT Subject: Re: source contamination Organization: * "bizzwire" wrote in message news:dtfg9r$f5q$1@news-int2.gatech.edu... } Sounds like you might have a contamination problem outside the mass } spec. Dirty solvents (including water) and fluidic pathways (including } the syringe) should be suspected. [snip] i totally agree. especially with the water. use Milli-Q (or equivalent; }18MOhm and <5ppm TOC). don't trust "LC" grade water purchased from anyone, especially if it seems like a "good deal." i spent a fair amount of time convincing our purchasing department that their decision to switch us to a cheaper vendor for LC grade water was having massively detrimental effects on the ESI response - not so easy to explain to financial folks. anyway, long story short, ever since we started using Milli-Q we have virtually *no* background. -kp ****************************************************************************** From: "eric.milgram@gmail.com" Date: 22 Feb 2006 06:49:39 -0800 Subject: Re: Analyst Script question Organization: * Most likely, there is some standard functionality in Analyst that will let you accomplish your goal, but I don't know for sure. However, if you haven't already done so, you should look into using the Analyst SDK. It doesn't come standard with Analyst. You'll have to request it from Sciex. Assuming that you're controlling your UV detector through Analyst, you'll be able to use the SDK to perform the tasks you need. I don't have hands-on experience with the API-150, but I have used the API-3000 and API-4000 (std & QTrap). We used Automaton to optimize MS and MS/MS conditions. I assume that you could use Automaton to take advantage of the MS-only portion of the optimization (e.g. positive vs negative, and lens optimization). You can get more information here http://docs.appliedbiosystems.com/pebiodocs/00113101.pdf. I hope that helps. ****************************************************************************** From: Fula Ermatova Date: 22 Feb 2006 14:06:22 -0800 Subject: Dual detector Organization: * Hi, some time ago in 2004, Micromass introduced a split beam detection system for their Autospec magnetic sector instruments. Seemed to be cool stuff, which was capable of detetcing interferences in GC/MS SIM mode. They have published a few posters at scientific conferences. They have not published any data on "real-world" applications. Up to now I could not find any publication that made use of this device. Has anyone ever seen this detector, or heard of anyone using it (or is actually using it)? Regards, F. ****************************************************************************** From: waz Date: 23 Feb 2006 16:08:32 -0800 Subject: Re: analysis of l-arginine by LC/MS (ESI) Organization: * Hello Chimiste The molecule you are trying to analyse is very polar. It is always charged in aqueous solution. What sort of chromatographic column are you using? You will have very little luck with something non-polar like a C-18 or C-8 I think. You might want to try an amino or cyano type column, or even try a hypercarb if you have one. Hypercarb is a graphite based column with a unique retention mechanism. You might find TFA in the mobilephase is necessary if you do use a hypercarb. Try any polar column you can get your hands on. You might also find columns you could do ion exchange on, and flush off the analyte by use of increasing the acid content of the mobile phase by a step type gradient. Good luck. Waz chimiste wrote: } Hello everybody! } I'm a new member of this group, because i've a big problem in that day. } I'm trying to analyse L-arginine in water by LC/MS. I've got a good } signal in MS infusion, but i've got problem with the HPLC Method. My } peek is always in the t0 of the column. Finally, with a column of } 125*2mm 5µ and a mobile phase 100% water + 0.3% TFA (pH 1.43!!!!!!), } i've gat a retention time of 1.9min. } I'm trying to have a better retention time, but i don't succeed. } Please excuse my poor english, i wish you have understood my problem. } Thanks for your help. } Chimiste. ****************************************************************************** From: "lmatthews@nanotherapeutics.com" Date: 24 Feb 2006 10:01:20 -0800 Subject: Re: source contamination Organization: * Thanks - for both replies. I did a serious clean on the sample cone and hexapole with Bonami and a toothbrush (as instructed by a service tech). He believed that it was probably very dirty due to improper past cleaning. This helped, but not as much as trying different solvents. My noise signal immediately went down to 1% of what I had seen previously. It has been decreasing ever since. Thanks! ****************************************************************************** From: Rinus Luijmes Date: Sun, 26 Feb 2006 13:55:18 +0100 Subject: Re: ICP-MS Organization: * On 21 Feb 2006 00:37:28 -0800, Wolf359 wrote: }Does someone knows a good tutorial about ICP-MS, except the one of }Robert Thomas, from the spectroscopymag.com? This book is very good: Kym E. Jarvis, Alan L. Gray and R. Sam Houk, Viridian Publishing, ISBN 0-9544891-0-1 : "Handbook of Inductively Coupled Plasma Mass Spectrometry", see: http://www.viridian-publishing.co.uk/sci_books.html Greetings, Rinus Luijmes www.icpms.nl ****************************************************************************** From: nanavati.payal@gmail.com Date: 26 Feb 2006 10:26:23 -0800 Subject: MALDI-TOF Organization: * Could anyone simplify the principle on which MALDI-TOF works and how it can be used for SNP genoytping. Thanks, PAN ****************************************************************************** From: Kendall Date: Tue, 28 Feb 2006 22:13:27 GMT Subject: Re: analysis of l-arginine by LC/MS (ESI) Organization: * "waz" wrote in message news:dtln8i$b9l$1@news-int2.gatech.edu... [snip] } Try any polar column you can get your hands on. You might also find You'd probably have also luck with a normal-phase type column, the latest iteration of which are sometimes called HILIC-type columns (avaiable from several vendors; I know specifically that Waters sells one). With these columns you start with high organic content (>95% acetonitrile, for instance) and run a gradient of *decreasing* organic content to elute highly polar compounds - like Arg. Another alternative would be chemical derivatization of Arg prior to LCMS, and there are *scores* of papers describing LC-compatible deriv. techniques. A Google Schoalr search of "arginine LC-MS derivatization" gave over 300 references. Good luck! -Kendall ****************************************************************************** From: chimiste Date: 1 Mar 2006 00:58:28 -0800 Subject: Re: analysis of l-arginine by LC/MS (ESI) Organization: * Thanks a lot for your message. i've found a method that use a non-polar column, only silica, a brownlee one. I'm going to search your "hillic" column. Now the project is on standby, but i wish i could use your advice soon. Have a good day, Chimiste. ****************************************************************************** From: Alan Date: 1 Mar 2006 08:50:51 -0800 Subject: Re: ESI/MALDI-TOF Organization: * I am not sure what the original post was that prompted the posting below, but here are a few thoughts on ESI-TOF products. As was mentioned, the Mariner is no longer available, which is too bad because it was an interesting instrument. However, ESI TOF instruments are made by several other vendors. Micromass (from Waters Chromatography) makes one. Leco makes one. Agilent makes one. Bruker makes one. JEOL makes one. Any of these could do a good job, depending on the application. A closely related instrument is a Q-TOF, and there are at least three manufacturers of these instruments: Agilent, Micromass (Waters), and Sciex (marketed by Applied Biosystems). Although there is a lot of overlap in capabilities, each instrument is designed for different optimal use. For example, if you want the highest speed and sensitivity and are satisfied with a resolution of ~2500 then get the Leco. If you want higher resolution get one of the other instruments. If you want the highest dynamic range get Agilent, Leco, Bruker, or maybe JEOL. If you want to do quantitative analysis get Agilent or Leco. If you want to do proteomics then LECO is not the first choice. If you want to do MS/MS then get one of the Q-TOF instruments. If you want to do MS/MS for quantitative analysis then Agilent is probably your best choice, though I should say that the Agilent Q-TOF is a new and relatively unproven instrument at the moment. I mentioned LECO a several of times, partly because I am most familiar with that instument. (I was the main designer of LECO's "Jaguar" ESI TOF, which they now market in modified form as the "Unique".) However, the track record of LECO in the mass spectrometry market is relatively weak, and that should be taken into consideration as well. The other manufacturers have strong track records in mass spec. Probably the company with the strongest position in ESI TOF is micromass, with Sciex coming in a close second. Agilent is a relatively new contender in ESI-TOF, but I expect them to be very strong. From a marketing point of view I do not believe that JEOL or Bruker are nearly as strong in ESI TOF as some of the other contenders, but I think their technology is fine. Several of the manufacturers listed above also make MALDI-TOF, which I will not discuss. Alan Michael Sherrell/Grizzly Analytical wrote: } Not being very technical myself, I agree that my post about the Mariner may } have been irrelevant to John Hill's needs, in which case I apologize for the } distraction and waste of bandwidth. But there are only a couple of models of } ESI-Tofs available, and if the Mariner were appropriate for his situation } and he didn't realize it was available since it is not sold new anymore, it } seemed to me he might be quite pleased at the rather substantial potential } savings versus a new ESI-Tof. } } The way I look at it, if an individual posts that he/she is thinking about } acquiring an instrument of a certain model or type, and I have available one } that is less expensive than a new model, that individual is unlikely to know } of its availability unless I reach out to him/her, and in fact may never } have considered the possibility of buying a used instrument until the } possibility is brought to their attention. But if my posts in response to } such queries by list members is broadly annoying, in future I will not post } such responses to the list at large. } } "David Stranz" wrote in message } news:dk622k$bdo$1@news-int2.gatech.edu... } } Michael Sherrell/Grizzly Analytical } } wrote in news:djtl36$okp$1@news-int2.gatech.edu: } } } } } We have the Mariner ESI-Tof available for around US$40,000 } } } installed ... } } } } } } Michael Sherrell } } } Grizzly Analytical (USA) } } } www.grizzlyanalytical.com } } } } } } } While I recognize that it is your business to resell instruments, } } interjecting blatant advertisements into otherwise technical } } discussions is offensive and does more harm than benefit to your } } company's image. You have done this in two separate threads in the } } past few days. } } } } I do not object to you submitting new top-level posts clearly labeled } } as "instruments for sale", but to reply to technical threads with } } such is improper and inappropriate. } } } } I hope that the moderator will take note of this complaint and act to } } discourage Mr. Sherrell from further such off-topic posting. } } } } David Stranz } } } } ****************************************************************************** From: Matthias Letzel Date: Thu, 02 Mar 2006 12:07:54 +0100 Subject: ASPECT 3000 console to give off Organization: * Hi there, we have an ASPECT 3000 console from an old Bruker CMS47 FT-ICR instrument to give off. If you are interested, please contact me for the details. With kind regards, Matthias Letzel (matthias.letzel@uni-bielefeld.de) ****************************************************************************** From: Wolf359 Date: 3 Mar 2006 02:15:44 -0800 Subject: Re: ICP-MS Organization: * Thank you, Also some good materials I found thanks to your site's links. About that book, how old is it? I couldn't found the published year. Do you have it? Does it worth the money? ****************************************************************************** From: Mike Sherrell Date: Fri, 3 Mar 2006 16:24:40 -0800 Subject: Mass specs, MALDIs from Grizzly Analytical Organization: * Mass specs, MALDIs available from Grizzly Analytical www.grizzlyanalytical.com; mike@grizzlyanalytical.com **LC/MS, MS/MS, hybrids & Ion traps: Q-Star Pulsar i: $150,000. Working well when manufacturer deinstalled. o-MALDI 2 source available separately. Q-Star Pulsar i: $175,000. Nanospray, turboionspray, MALDI source Q-Trap 2000: newly available; price under negotiaton. Call/email if interested. Sciex API 3000: $135,000. US install, 90-day warranty included. API 3000 upgrade: $38,500. From Ionics. Increases sensitivity and (S/N) ratio at high flow rates to ~ that of an API 4000. Install incl. Sciex API 2000: $70,000. Installed, warranteed. Sciex API 2000: $105,000. Incl. Ionics EPQ3 upgrade to ~ API 3000. efficiency, install & warranty. Sciex API 2000 upgrade: $25,000. From Ionics. 4x sensitivity increase. Install, warranty included. Sciex 365 w/ EP10+: $149,000. Ionics upgrade; more sensitive than API 3000. Sciex API 365 upgrade: $109,000. 10x+ Ionics sensitivity upgrade; near-equal to 4000. Sciex API 150EX: $40,000. MCA upgraded to EX; identical performance. MAC or NT w/ Analyst 1.3, your choice. Incl. install. Sciex API 165: $45,000. Install included. Sciex API 100: $30,000. Fine benchtop single quad. Install included. Sciex NT workstation: $2,500. Use to upgrade Macs on 150, 365, 2000, 3000. Sciex API III+: $35,000. Triple quad: ES, APCI; install, 30-day warr. incl. Sciex API III+ -wanted- For tax-deductible donation to a university. Sciex API I: $20,000. Single quad; more sensitive than the Sciex 150. + $20,000/installation and 1 year service contract. Sciex APCI source for API 150, 365, 3000: $7,000. Sciex MicroIon spray source: $7,900. For API 150, 300. or Q-Star. Very low flow. PE-ABI Mariner: $40,000. ESI-TOF. Price includes install, warranty. Agilent 1100 MSD Trap: $90,000. G2445A. 2002 model. ESI, APCI, APPI. Includes install, 90-day warranty. Agilent 1100 MSD: $73,000. A model. Includes 1100. HPLC, variable detector, install, 90-day warranty and training. Can be reconfigured. Agilent 1100 MSD: $40,000. Model A. Upgrade to Model D: +: $5,000. Finnigan MAT 90. negotiable 13 mos. old; now. under factory svc. contract. Finnigan Quantum Discovery (no MAX): $190,000. Includes install, 1 year svc. Finnigan LTQ-FT: $395,000. Delivery and install included. Finnigan DECA XP+: $85,000. Incl. install, warranty. Finnigan DECA XP: $85,000. Incl. install, warranty. Finnigan DECA: $49,500. Install, warranty included. Finnigan LCQ Classic: $49,000. ESI; Finnigan-certified. Install available. LCQ ESI source: $7,500 ($12K list). Finnigan AQA: $29,500, guaranteed installable. Finnigan TSQ 7000: $50,000. ES, API 1, install, 30-day warr. included. Finnigan TSQ 7000: $75,000. ES, API 2, Xcalibur, install, 30-day warr. included. Finnigan TSQ Classic: $150,000. 2004; GC and LC. HPLC, install, 1 yr. warr. included. Finnigan SSQ 7000: $45,000. ES, APCI; Excalibur 1.0; API 1 source; install incl. Workhorse triple quad. Finnigan TSQ 700: $30,000. Electrospray, APCI. Install included. Finnigan SSQ 710: $25,000. Electrospray, APCI, API 1, Alpha workstation, install included. Finnigan Mat ITS40. Offers considered. With Varian 3400. GC + A200s Auto Sampler. Bruker Esquire: $85,000. Ion trap. Incl. install, guaranteed. Hitachi M 8000: $82,000. Ion trap. 1999; excellent condition; incl. LC. Micromass LCT API-oaTOF MS: $160,000. Sold new for: $260,000. in July 2000. Includes Waters HPLC. Micromass Q-Tof II: <$100,000 incl. HPLC; MicroMass deinstall report included. Micromass Q-Tof micro: price under negotiaton. May be inspected. Micromass LCT: $47,000. Excellent condition; GE lease return. Micromass Quattro Ultima: $145,000. VB; Z-spray; APCI-Z. MicroMass-certified. Install included. Micromass Quattro IIZ: $149,000. Z-Spray. Includes install, warranty. Micromass Quattro II: $150-200K Price depends on whether you want installation, GC and/or HPLC. Micromass Quattro II: $87,500. ESI, APCI, Masslynx 3.5, install, warrantee. Micromass Platform LC: offers considered. 1998 model. MM/Waters ZMD 2000: $52,000. Install available. Micromass ZABSpec Ultima OA TOF: $89,000; offers considered. Mag sector/TOF hybrid. 1997 model. Good working order. Fisons VG 2000: <$100,000. Call or email for info. Fisons VG Trio: $25,000. LC + GC: 3000. amu; thermospray, EI/CI, HP 5890. included. Install, license & 90-day warr. + $14,500. VG Trio 2: $7,500. Electrospray; complete; parts or fixer-upper unit. Nermag R10c <$10,000. Like new; make offer. Finnigan MAT 90: $16,000. All parts intact, plus spares included. Micromass Autospec M: $179,000. Mag sector/TOF MS/MS. Incl. FPD, 5 sources, guar. eligible for svc. ($700K new) MM Autospec S: $24,000. FOB Germany. Install, warranty available. MM Autospec V: $24,000. FOB Germany. Install, warranty available. Mass spec sample introduction systems listed under liquid handlers, below. Service and service contracts available for PESciex, Thermo-Finnigan and Micromass mass specs and ion traps: click here. **MALDI-TOFs: Voyager DE: $50,000. Installed, guaranteed. Voyager DE STR: $99,000. Includes install; guaranteed eligible for svc contract. Voyager DE RP: $67,000. Extensively refurbished. Voyager RP: $44,000. Incl. install; service contracts avail. Will QC peptides; continuous extraction. Voyager Elite XL: $15,000. Incl. Vestec Multi-gauge, Advantec fraction collector. Voyager MALDI lasers: rebuilt; full warranty; ~2/3 price of new; install available. Call for info. Q-Star oMALDI 2 source: $55,000 or best offer. Mariner ESI-TOF: $40,000. Installed/guaranteed. Mariner ESI-TOF: $55,000. Incl. Integral HPLC; ideal for peptide QC. Incl. install, 90-day warr. Sequenom system: $215,000. 2001 model. Bruker BiFlex III, Oracle software, SpectroCheck, Reader and Jet. Installation incl. Sequenom MassARRAY Offers considered. 2001; HME system w/SpectroJET 384, Bruker Biflex III. Sequenom MassARRAY Offers considered. 7K system (2002), for genotyping. Current software. MicroMass Q-TOF API-US: $195,000. 2002. Nanospray and ESI. Micromass Reflectron: $110,000. Incl. MassPrep enclosed robotic sampler system. + $30,500/install. MicroMass LC-TOF: $90,000. API-LC/Orth. 2000 model. Manufacturer-certified. MicroMass TOF 2e-Spec: Call/email for details. 1999; many options; good working order. Micromass LCT: $75,000. ESI-TOF. Includes HPLC. MicroMass Q-Tof 1: $65,000. Install included. Bruker MicrOTOF: $195,000. 2004 model; lease default. Incl. install, warranty. Bruker Autoflex: call to discuss price. 2002 model; excellent condition. Bruker Reflex IV: $207,500. 2001 model; list: $300K. Incl. ion source, TOF analyzer, detector two NT processing stations. Bruker OmniFlex: $82,500. 2003 model; PSD option, 90-day warranty. Bruker Reflex III: $89,000. 1999 model; includes chiller, standalone AS-90. Bruker Biflex IV: Just in; call/email to discuss. Bruker Biflex III: $125,000; offers considered. Bruker Proflex III Offers considered. Excellent condition. LaserTec II: $75,000. By PerSeptive. 5 yrs. old; excellent condition. Thermo-Finnigan Dynamo: $55,000. Linear DE benchtop system. Price includes ship, install, train, 90-day warr. Finnigan LaserMAT 2000: $25,000. Includes ship, install, 90-day parts warr. Kratos Kompac III Offers considered. Call or email if interested. Kratos Kompac II: $25,000. As is; complete but needs new laser. SRI custom design: $100,000. Ideal for SNP determination. Asking price. 384 samples/20 min. Can be tested. Finnigan MAT Vision 2000: $80,000. Reflectron. Includes install, 1 year warranty. VG Tof-Spec: $6,000. Or best offer. For parts; new laser card and other new.boards. Waters MALDI prep device: offers condered. Used only once. Includes plates and kits. *Also available: service/contracts on Voyager, Finnigan and Micromass MALDIs **GC/Other MS: Finnigan TSQ: $150,000. New style: post-TSQ, post-7000. LC+GC; incl. new Trace GC, CTC 200. autosampler, EI/CI, API 2 LC source. Install, 1 yr. warr. incl. Finnigan TSQ 7000: $67,500. GC/MS/MS; Excalibur; EI/CI; GC is extra. Can add LC interface. Finnigan GC/MS: Save $5K: buy our junker for $900 and save up to $5,890 trading it in on new one. Micromass VG70. SE: $45,000. Hi resolution GC/MS. MSI AutoConcept: $380,000. New; multiramp temp; Agilent GC and Agilent or CTC autosampler. Incl. install, 1-yr. warranty. Thermoquest GCQ: $30,000. GC/MS/MS; EI/CI; rebuilt; 90-day warranty. HP 5890. II/6972: $27,500. Install, warr. incl. +: $5K/autosampler. HP 5890II/5970A: $12,500. Refurbed, warranteed. +: $5K/autosampler. HP 5890A/5972B: $7,000. Many options available. HP 5988/5890A small: $s NCI, Hi-sensitivity upgrade, INET. HP 5989 MS engine: $28,500. 2000 amu mass range, pos/neg CI, APCI. Finnigan FT-MS: auction; bid closes Mar. 3. 1998 model; call/email for more info. Finnigan Trace/Voyager: $22,000. 90-day warranty. Finnigan MAT GCQ: $23,000. GC/MS/MS. EI/CI. Finnigan Magnum: $7,500. GC/MS Ion trap; incl. GC. Varian Saturn 2100T Offers considered. Ion trap GC/MS. 3 mos. old; incl. GC. SRS RGA: $5,900. Residual Gas Analyzer. 30-day warranty. Saturn 2000 GC/MS: $29,000. W/ Varian 3900 GC. Warranteed. VG Trio GC/MS: $15,000. Good working order; can be inspected. Fisons MD800: $17,000. Good working order; can be inspected. Leybold IQ 200. RGA: $9,500. Residual Gas Analyzer. 30-day warranty. Finnigan MAT SOLA: $50,000. Asking price. 8 yrs. old; incl. GF, hydrides gen. Finnigan T-30. Newstar Offers considered. FT-MS. Was: $1.4M in 1997. Price negotiable. JOEL HX 110. Offers considered. Tandem Mass spec. PE 6100 ICP-MS: $65,000. 1999 model but only used a few times. PE Elan 6000 ICP-MS: $70,000. Incl. autosampler, chiller; excellent cond. Micromass Platform ICP-MS <=$100K MegaFlow-Z Coaxial Probe. Micromass Platform ICP Hex-MS: $50,000. HP 4500. ICP-MS: $49,000. Series 200; 1999 model; enhanced mainframe. [All items subject to prior sale.] Regards, Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com ****************************************************************************** From: windig@eigenvector.com Date: 3 Mar 2006 17:20:43 -0800 Subject: CODA and COMPARELCMS Organization: * For people who are interested in Windig's CODA and COMPARELMCS (programs to select the high quality mass chromatograms from complicated LC/MS data, see: W. Windig, J.M. Phalp, A.W. Payne, Anal. Chem., 68, 1996, 3602-3606. W. Windig, W.F. Smith, W.F. Nichols, Anal. Chim. Act 446, 2001, 467-476. W. Windig, J. Chemom. Intell. Lab. Syst., 77, 1005, 106-214.). There will be a chemometrics course given by Eigenvector Research, where these techniques will be taught as part of the course(Chemometrics in Mass Spectrometry). See: http://eigenvector.com/Courses/EigenU.html ****************************************************************************** From: SMH Date: Sat, 04 Mar 2006 20:23:29 GMT Subject: Re: MALDI-TOF Organization: * nanavati.payal@gmail.com had the audacity to say in sci.techniques.mass- spec: } } Could anyone simplify the principle on which MALDI-TOF works and how it } can be used for SNP genoytping. } Thanks, } PAN If you haven't found them already, try looking at the following: 1. Sasayama T, Kato M, Aburatani H, Kuzuya A, Komiyama M. (2006) J Am Soc Mass Spectrom. 17: 3-8. Simultaneous genotyping of indels and SNPs by mass spectroscopy. 2. Kim et al. (2005) Clin Chem. 51: 1123-1131. Population genotyping of hepatitis C virus by matrix-assisted laser desorption/ionization time-of- flight mass spectrometry analysis of short DNA fragments. 3. Tang et al. (2004) J Proteome Res. 3: 218-227. Mining disease susceptibility genes through SNP analyses and expression profiling using MALDI-TOF mass spectrometry. 4. MONOGRAPH: Vallone PM, Fahr K, Kostrzewa M. (2005) Methods Mol Biol. 297: 169-178. Genotyping SNPs using a UV-photocleavable oligonucleotide in MALDI-TOF MS. 5. REVIEW: Edwards JR, Ruparel H, Ju J. (2005) Mutat Res. 573: 3-12. Mass-spectrometry DNA sequencing. 6. REVIEW: Tost J, Gut IG (2005) Clin Biochem. 38:335-350. Genotyping single nucleotide polymorphisms by MALDI mass spectrometry in clinical applications. This is a drop in the bucket of articles on SNPs analyzed by MALDI-ToF. ****************************************************************************** From: IET Ltd Date: 5 Mar 2006 18:40:41 -0800 Subject: ABI Q-STAR Pulsar I- refurbished Organization: * Applied Biosystems ABI Model Q-Star Pulsar I Quadrupole Time-of-Flight Mass Spectrometer s/n# K1190106 complete with Dell Optiplex GX300 with Analyst QS, ESI, NanoSpray and MALDI sources. Decommissioned, certified and packed by ABI service at Wyeth Laboratories. Please call for price and further details. Refurbished Analytical Instruments International Equipment Trading Ltd. sales@ietltd.com 847.913.0777 www.ietltd.com ****************************************************************************** From: "[iso-8859-1] H. Rønning" Date: 8 Mar 2006 01:59:37 -0800 Subject: background peak in ESI Organization: * By running pure methanol or methanol/water(MilliQ) from either a syringe pump or LC, we get a signal at m/z 341, negative mode. Does anyone have a suggestion what this might be? All chemicals used are at least HPLC-grade, the source has been thoroughly cleaned and all tubing changed. H. Rønning ****************************************************************************** From: Proxeon Date: 8 Mar 2006 02:03:46 -0800 Subject: Proxeon ProteinCenter Software for MS Bioinformatics looking for Organization: * We are looking for Confirmation Test Sites (CTS) While we have already extensively tested during the product development program with Matthias Mann (MPI Munich), Steve Carr (MIT) and Peter Roepstorff (Odense) we are looking for high throughput MS proteomics labs who are swamped with data and need to quickly get to biologically meaningful results. As modern split free nanoelectrospray LC/MS systems are so bullet proof and reliable, running on a 24/7 basis, several labs tell us that they only are using a small percentage of the data they generate and are frustrated by all of the redundancies/duplications in the public sequence databases and the amount of time the data analysis can take. If any of this sounds familiar to you please contact me. Derek ****************************************************************************** From: David Sparkman Date: Wed, 8 Mar 2006 12:29:02 -0500 Subject: Looking for Tetramine EI mass spectrum Organization: * I am looking for an EI mass spectrum of Tetramethylenedisulfotetramine. This is a clandestine rat poison from China. Regards; David O. David Sparkman Consultant-At-Large ****************************************************************************** From: waz Date: 8 Mar 2006 16:42:34 -0800 Subject: Re: background peak in ESI Organization: * What sort of instrument are you using? If the source of contamination is not between the source and the pump, I would suggest you clean out behind the orafice. Waz [iso-8859-1] H. Rønning wrote: } By running pure methanol or methanol/water(MilliQ) from either a } syringe pump or LC, we get a signal at m/z 341, negative mode. Does } anyone have a suggestion what this might be? All chemicals used are at } least HPLC-grade, the source has been thoroughly cleaned and all tubing } changed. } } H. Rønning ****************************************************************************** From: jameslittle@eastman.com Date: 8 Mar 2006 19:04:04 -0800 Subject: Re: Looking for Tetramine EI mass spectrum Organization: * http://www.inchem.org/documents/pims/chemical/pim982.htm#8.2.2 The analysis of tetramine in biological samples by GC-MS has been described (Cao and Wei 2001; Liang and Wu 2001). Tetramine from blood and tissue was extracted with dichloromethane and analysed by GC-MS. The mass spectra showed peaks at 240, 212, 185, 132, 121, 92, 76 and 42 m/z. (Cao and Wei 2001). David Sparkman wrote: } I am looking for an EI mass spectrum of Tetramethylenedisulfotetramine. } This is a clandestine rat poison from China. } } } Regards; } David } } O. David Sparkman } Consultant-At-Large ****************************************************************************** From: hi Date: 9 Mar 2006 07:48:01 -0800 Subject: Which is better ? Agilent 5973 and 5975 Organization: * recently i have a chance to review and consider to buy a couple of new GC-MS. But the prelim. review of tune data / OFN raw data / scan mode data suprised me. It seems that the 5975 ("normal" performance pump) gives similar sensitivy to that of 5973... Surely agilent GC-Q is more robust than shimadzu, but QP2010 GCMS also gives higher senzitivity than 5975 ("normal" pump again) I can't wait to test on the 5975 (with better vacuum - high perf. pump) and see whether the it is better than "normal" pump"... and the 5973. I don't need a high mass sensitive instrument, i need a sensitive instrument in 100-500 amu. (although all GCMS providers shows their advance in m/z over 1000 (Deca-BDE flame retardant) But does anyone have the same finding? or it is just site / instrument specific (ie luck) and is complete not the case in another lab? ****************************************************************************** From: Graeme Robertson Date: Fri, 10 Mar 2006 10:34:17 -0000 Subject: Re: Which is better ? Agilent 5973 and 5975 Organization: * I would suggest two factors to look at before purchase. First run some" real world" samples. i.e. run some examples of the type of sample you routinely use the instrument for. The extended mass range offered by newer instruments together with the HED detectors help the mass discrimination in the fragmentation pattern. Might make a difference if your identifying high molecular weight species. The other thing to look at is overall instrument stability. Monitor the calibration gas mass assignments over a long period, say a day, to determine how stable the mass scale is. These 2 factors will determine how good the instrument is for your application rather than ultimate sensitivity. Thats assuming the sensitivity is adequate in the first place of course. "hi" wrote in message news:dupmcl$6ji$1@news-int2.gatech.edu... } recently i have a chance to review and consider to buy a couple of new } GC-MS. } But the prelim. review of tune data / OFN raw data / scan mode data } suprised me. It seems that the 5975 ("normal" performance pump) gives } similar sensitivy to that of 5973... } Surely agilent GC-Q is more robust than shimadzu, but QP2010 GCMS also } gives higher senzitivity than 5975 ("normal" pump again) } } I can't wait to test on the 5975 (with better vacuum - high perf. pump) } and see whether the it is better than "normal" pump"... and the 5973. } } I don't need a high mass sensitive instrument, i need a sensitive } instrument in 100-500 amu. (although all GCMS providers shows their } advance in m/z over 1000 (Deca-BDE flame retardant) } } But does anyone have the same finding? or it is just site / instrument } specific (ie luck) and is complete not the case in another lab? } } ****************************************************************************** From: Chip Cody Date: 10 Mar 2006 10:12:04 -0800 Subject: Re: background peak in ESI Organization: * Just speculating, but... m/z 341 in negative mode makes me think of sucrose or an isomeric disaccharide. C12H21O11 would be m/z 341.108390 If you switch to positive-ion mode, do you see anything like 342+23 or 342+18? [iso-8859-1] H. Rønning wrote: } By running pure methanol or methanol/water(MilliQ) from either a } syringe pump or LC, we get a signal at m/z 341, negative mode. Does } anyone have a suggestion what this might be? All chemicals used are at } least HPLC-grade, the source has been thoroughly cleaned and all tubing } changed. } } H. Rønning ****************************************************************************** From: Rinus Luijmes Date: Sat, 11 Mar 2006 15:46:30 +0100 Subject: Re: ICP-MS Organization: * On 3 Mar 2006 02:15:44 -0800, Wolf359 wrote: }Also some good materials I found thanks to your site's links. About that book, how old is it? I couldn't found the published year. Do you have it? Does it worth the money? I have the 2003 edition but also saw it in the Usenet newsgroup news:alt.binaries.e-book.technical. I found it very useful as an introduction for a high-troughput production-lab where we analyse soil samples. We have two Agilent 7500ce's now. This is the contents-list for the book: 1 Origins and development Introduction The ICP-MS system 2 Instrumentation for ICP-MS The inductively coupled plasma Ion extraction Ion focusing 3 Instrument Options Introduction Nebulisers Spray Chambers Torches Interface 4 Sample introduction for liquids and gases Introduction Electrothermal vaporisation Vapour generation and gas phase sample introduction Liquid chromatography Flow injection Direct sample insertion 5 Interferences Introduction Spectroscopic interferences Non-spectroscopic interferences 6 Calibration and data handling Introduction General concepts Instrumental modes of data collection Linearity of response Blanks Factors affecting signal stability Quantitative analysis 7 Sample preparation for ICP-MS Introduction General considerations Digestion procedures Separation and pre-concentration methods Conclusion and overview 8 Elemental analysis of solutions an applications Introduction Multi-element determinations Geological applications Environmental applications Nuclear applications Industrial applications Biological applications Summary 9 The analysis of natural waters by ICP-MS Introduction Water sampling procedures for ICP-MS Direct water analysis by ICP-MS Water analysis with chemical separation and direct sample insertion Calibration strategies 10 Analysis of solid samples Introduction Slurry nebulisation Laser ablation Direct sample insertion Powdered solids Arc nebulisation 11 Isotope ratio measurement Introduction Instrument performance Applications and methods of isotope analysis Appendices References Index Groeten, Rinus Luijmes. Webdesign. Zie voor portfolio: www.angelaprodeo.org, www.egautomobielen.nl, www.elektrotechniekbosman.nl, www.hollebus.nl ****************************************************************************** From: hi Date: 11 Mar 2006 08:52:16 -0800 Subject: Re: Which is better ? Agilent 5973 and 5975 Organization: * Dear Robertson, Thanks for the input. I now trying different levels of standard solutions on 5975. But again suprised by the 5973 and 5975 data sheet, the "specification" of scan mode sensitivity is about double in 5975 than that in 5973; while specification listed out the OFN SIM sensitivity are same for 5975 and 5973. If it also true for real sample, then i can understand why my friends tell me both instruments are of similar sensitivity (SIM). And that explained the "fast electronics" is actually goes for the scan and "scan + SIM" mode. but not much visual benfits to sole SIM. I hope this is not the case. Graeme Robertson wrote: } I would suggest two factors to look at before purchase. First run some" } real world" samples. i.e. run some examples of the type of sample you } routinely use the instrument for. The extended mass range offered by newer } instruments together with the HED detectors help the mass discrimination in } the fragmentation pattern. Might make a difference if your identifying high } molecular weight species. The other thing to look at is overall instrument } stability. Monitor the calibration gas mass assignments over a long } period, say a day, to determine how stable the mass scale is. These 2 } factors will determine how good the instrument is for your application } rather than ultimate sensitivity. Thats assuming the sensitivity is adequate } in the first place of course. } } } "hi" wrote in message } news:dupmcl$6ji$1@news-int2.gatech.edu... } } recently i have a chance to review and consider to buy a couple of new } } GC-MS. } } But the prelim. review of tune data / OFN raw data / scan mode data } } suprised me. It seems that the 5975 ("normal" performance pump) gives } } similar sensitivy to that of 5973... } } Surely agilent GC-Q is more robust than shimadzu, but QP2010 GCMS also } } gives higher senzitivity than 5975 ("normal" pump again) } } } } I can't wait to test on the 5975 (with better vacuum - high perf. pump) } } and see whether the it is better than "normal" pump"... and the 5973. } } } } I don't need a high mass sensitive instrument, i need a sensitive } } instrument in 100-500 amu. (although all GCMS providers shows their } } advance in m/z over 1000 (Deca-BDE flame retardant) } } } } But does anyone have the same finding? or it is just site / instrument } } specific (ie luck) and is complete not the case in another lab? } } } } ****************************************************************************** From: Giacomo56 Date: Sat, 11 Mar 2006 19:00:14 -0600 Subject: Re: ICP-MS Organization: * How do you like the Agilent ICP/MS's ? -- Giacomo56 http://www.vroc.org/view_profile.php?user_id=17566 "Rinus Luijmes" wrote in message news:duuquf$e35$1@news-int.gatech.edu... } On 3 Mar 2006 02:15:44 -0800, Wolf359 wrote: } } }Also some good materials I found thanks to your site's links. About that book, how old is it? I couldn't } found the published year. Do you have it? Does it worth the money? } } I have the 2003 edition but also saw it in the Usenet newsgroup news:alt.binaries.e-book.technical. I } found it very useful as an introduction for a high-troughput production-lab where we analyse soil } samples. We have two Agilent 7500ce's now. This is the contents-list for the book: } } 1 Origins and development } Introduction } The ICP-MS system } 2 Instrumentation for ICP-MS } The inductively coupled plasma } Ion extraction } Ion focusing } 3 Instrument Options } Introduction } Nebulisers } Spray Chambers } Torches } Interface } 4 Sample introduction for liquids and gases } Introduction } Electrothermal vaporisation } Vapour generation and gas phase sample introduction } Liquid chromatography } Flow injection } Direct sample insertion } 5 Interferences } Introduction } Spectroscopic interferences } Non-spectroscopic interferences } 6 Calibration and data handling } Introduction } General concepts } Instrumental modes of data collection } Linearity of response } Blanks } Factors affecting signal stability } Quantitative analysis } 7 Sample preparation for ICP-MS } Introduction } General considerations } Digestion procedures } Separation and pre-concentration methods } Conclusion and overview } 8 Elemental analysis of solutions an applications } Introduction } Multi-element determinations } Geological applications } Environmental applications } Nuclear applications } Industrial applications } Biological applications } Summary } 9 The analysis of natural waters by ICP-MS } Introduction } Water sampling procedures for ICP-MS } Direct water analysis by ICP-MS } Water analysis with chemical separation and direct sample insertion } Calibration strategies } 10 Analysis of solid samples } Introduction } Slurry nebulisation } Laser ablation } Direct sample insertion } Powdered solids } Arc nebulisation } 11 Isotope ratio measurement } Introduction } Instrument performance } Applications and methods of isotope analysis } } Appendices } References } Index } } Groeten, } } Rinus Luijmes. } Webdesign. Zie voor portfolio: www.angelaprodeo.org, www.egautomobielen.nl, www.elektrotechniekbosman.nl, www.hollebus.nl } ****************************************************************************** From: "[iso-8859-1] H. Rønning" Date: 13 Mar 2006 04:14:27 -0800 Subject: Re: background peak in ESI Organization: * The instrument we are using is a API 4000Qtrap with Agilent LC-system, and it has been cleaned all the way till Q0. I have realized that the peak at m/z 341 has to originate from the methanol, even though I have used three different flasks of methanol. The peak disappears when methanol is not used in the mobil phase or for diluting the sample/standard. Do you have any ideas about what might be contaminating the methanol? H. Rønning ****************************************************************************** From: Wolf359 Date: 13 Mar 2006 04:43:32 -0800 Subject: Re: ICP-MS Organization: * Seems ok. I wrote an email to editors, but I got no answer... strange... ****************************************************************************** From: waz Date: 16 Mar 2006 16:08:52 -0800 Subject: Re: background peak in ESI Organization: * Have you tried using acetonitrile in place of methanol? How about ethanol? Have you considered that perhaps something in the solvent path is contaminated and the contaminant is only comming off if organic percentage in mobile phase is high enough? Have you tried solvent that has not been poured into one of your flasks (the flask may have traces of detergent). Have you tested this methanol on another system for this peak? It is a simple process of elimination. It is either in your detecting instrument, in the solvent, or in the solvent path. Waz [iso-8859-1] H. Rønning wrote: } The instrument we are using is a API 4000Qtrap with Agilent LC-system, } and it has been cleaned all the way till Q0. } } I have realized that the peak at m/z 341 has to originate from the } methanol, even though I have used three different flasks of methanol. } The peak disappears when methanol is not used in the mobil phase or for } diluting the sample/standard. } } Do you have any ideas about what might be contaminating the methanol? } } H. Rønning ****************************************************************************** From: steven.cepa@abbott.com Date: 17 Mar 2006 11:21:25 -0800 Subject: Re: background peak in ESI Organization: * If you have a QTrap what does the product ion scan suggest? This is certainly sounding like MeOH is the culprit. I'd like to hear what a different lot or different manufacturer's MeOH does. Good luck. Steve Cepa [iso-8859-1] H. Rønning wrote: } The instrument we are using is a API 4000Qtrap with Agilent LC-system, } and it has been cleaned all the way till Q0. } } I have realized that the peak at m/z 341 has to originate from the } methanol, even though I have used three different flasks of methanol. } The peak disappears when methanol is not used in the mobil phase or for } diluting the sample/standard. } } Do you have any ideas about what might be contaminating the methanol? } } H. Rønning ****************************************************************************** From: benoit80 Date: 23 Mar 2006 01:48:45 -0800 Subject: Relative quantitation method Organization: * Dear all, I have chromatographic profiles of environmental headspace extractions (SPME) with many peaks that are sometimes not idealy separated. Among all these peaks I am able to identify series (alkanes, ketones...). I can't use internal stds methods neither calibration (no time and no all the products to do so). My objective would be to make comparisons between runs (I assume that extraction performance is constant). I am aware that I won't be able to make accurate quantitation in these conditions but I would like to discuss the validity of the method I am using : I extract from the TIC the characteristic m/z peak for each compound (sometimes it is the molecular ion) and do the peak area integration on this "SIM-like" chromatogram. By this method can I compare the amount of a given compound in each run ? What about the validity to sum all the areas of a serie for a given and compare runs ? Thanks. Benoît. ****************************************************************************** From: J.B. Date: 23 Mar 2006 13:02:38 -0800 Subject: Bendix Diffusion Pump Organization: * In our lab, we have an old Bendix diffusion pump (model PNCS-20). Does anyone have information on the correct amount of oil to use for this pump? I have been unable to find any information about Bendix diffusion pumps online. Thanks ****************************************************************************** From: Proxeon Date: 25 Mar 2006 00:57:12 -0800 Subject: Lowest cost highest performance split free nano flow LC Organization: * Includes Peltier autosampler and touch screen computer. Compact, easy to use and reliable. Check out http://www.proxeon.com/nano-flow-lc.html ****************************************************************************** From: Joerg Hau Date: Sat, 25 Mar 2006 17:09:54 +0100 Subject: Re: Relative quantitation method Organization: * Hi, On Thursday 23 March 2006 10:48, benoit80 wrote: } I have chromatographic profiles of environmental headspace extractions } (SPME) with many peaks that are sometimes not idealy separated. Among } all these peaks I am able to identify series (alkanes, ketones...). I } can't use internal stds methods neither calibration (no time and no all } the products to do so). No reference at all? No chance for quantitation. } My objective would be to make comparisons between runs (I assume that } extraction performance is constant). What makes you believe this? Without having _verified_ it (using your local set-up), this is a rather daring assumption. Apart from that, it takes more than "just" a reproducible extraction to make reproducible runs: } I extract from the TIC the characteristic m/z peak for each compound } (sometimes it is the molecular ion) and do the peak area integration on } this "SIM-like" chromatogram. By this method can I compare the amount } of a given compound in each run ? Theoretically you could, *if* the sample preparation *and* extraction *and* sample composition *and* all instrumental parameters (and probably some other stuff ;-) would remain constant. However, since this is definitively not the case in the real world, the answer is "no". The approach, as you describe it, is at best be usable for "pseudo-quantitative" statements like "a lot", "some", "traces", but I would not link any numbers to that. If you could add an internal standard - just one -, the whole situation would be much better! } What about the validity to sum all the areas of a serie for a given and } compare runs ? No. Same arguments as above, plus you'll be dependent from the overall composition of the mixture (if I understood your idea correctly). Cheers + HTH, - Joerg -- joerg dot hau at swissonline dot ch * Lausanne, Switzerland http://homepage.sunrise.ch/mysunrise/joerg.hau/ "All standard disclaimers apply". remove the obvious from my address to reply ****************************************************************************** From: Richard Date: 25 Mar 2006 08:48:50 -0800 Subject: Re: Relative quantitation method Organization: * benoit80 wrote: } Dear all, } } I have chromatographic profiles of environmental headspace extractions } (SPME) with many peaks that are sometimes not idealy separated. Among } all these peaks I am able to identify series (alkanes, ketones...). I } can't use internal stds methods neither calibration (no time and no all } the products to do so). } My objective would be to make comparisons between runs (I assume that } extraction performance is constant). I am aware that I won't be able to } make accurate quantitation in these conditions but I would like to } discuss the validity of the method I am using : I do this sort of thing sometimes. It depends on the matrix. SPME fibers have very limited sample capacity and can become saturated with a high concentration component. This effectively blocks most of the sites available on the fiber, resulting in non-linear behavior for components present at lower concentration. For water matrix with low levels of VOCs I think it is safe to assume a reasonably linear correlation between detected peak area and sample concentration. But... If you don't make the effort to to some preliminary work to establish linearity and recovery you are, of course, *hoping* that the responses are linear. Tlhis leads to giving wrong answers to a client, making your self look really incompetent, receiving financial consequences, etc. If you are looking at, say, water samples with high levels of VOCs than doing a series of dilutions of your sample and comparing the results from the diluted samples will establish the degree of linearity of your analysis. That is still not going to be quantitative. If all you want to do is say one sample has approximately X times more (or less) analyte than another sample than this might work for you. Remember- garbage in, garbage out. Let us know how you do. Richard ****************************************************************************** From: Chip Cody Date: 26 Mar 2006 06:18:23 -0800 Subject: Re: Relative quantitation method Organization: * Joerg and Richard have answered about all of the variables that make this difficult or impossible, so I won't try to address those items. Regarding quantitation with a reconstructed ion chromatogram(RIC): Assuming that all the other variables are under control and you have a linear system, you have an additional source of error by using the RIC. SIM measurements generally provide more data points per chromatographic peak than an RIC. If your scan rate only gives you one or two spectra per peak, then you will only have one or two points to define the peak area, and your measurements will be correspondingly inaccurate. SIM gives better signal-to-noise ratios than an RIC because you are integrating each SIM channel for a longer time than the time you would scan across the target m/z, and you are not wasting any integrating time measuring baseline noise between peaks. With a scanning mass spectrometer you will always get better quantitative accuracy with SIM than with an RIC. HOWEVER, this argument is only for scanning mass spectrometers (quads, sectors) and does not apply if you are using a non-scanning analyzer (e.g. a time-of-flight mass spectrometer). You can get excellent quantitation with an RIC if you use a TOF, assuming all of the other variables are controlled. Chip Cody ****************************************************************************** From: IET Ltd Date: 26 Mar 2006 17:05:39 -0800 Subject: *refurbished* ABI QSTAR PULSAR and more Organization: * Applied Biosystems ABI Model QStar Pulsar I Quadrupole Time-of-Flight Mass Spectrometer s/n# K1190106 complete with Dell Optiplex GX300 with Analyst QS, ESI, NanoSpray and MALDI sources. Decommissioned, certified and packed by ABI service at Wyeth Laboratories. See all of IET's new arrivals at International Equipment Trading Ltd 960 Woodlands Parkway Vernon Hills, Illinois 60061 USA Phone: (847) 913-0777 Fax: (847) 913-0785 Email: info@ietltd.com ****************************************************************************** From: benoit80 Date: 26 Mar 2006 23:16:44 -0800 Subject: Re: Relative quantitation method Organization: * Many thanks to all for these answers. I am using a Quad but with a scanning time of 100ms (possible by reducing the m/z range) and I have more than 2 spectra for a peak. My objective is only to say "less", "more" or traces" not to put numbers (ok, the title of the post is probably wrong : it's not quantitation). These "relative" evaluation would be in addition to the main result that I will communicate : "yes, this product is detected", "no this product is not detected". I am working on the hedspace analysis of polymer samples, not water, but this doesn't change anything to the problem of fibre saturation, no linear answer, matrix effects, extraction performance variability, GC/MS conditions variations... For my application, It would be very dificult (if not impossible) to make calibration, to use internal standard for extraction performance assessment, so, I have to deal with what I have (even if it is garbage..) and to define how far I can go in the result analysis and result communication. Tanks. Benoît. Chip Cody wrote: } Joerg and Richard have answered about all of the variables that make } this difficult or impossible, so I won't try to address those items. } } Regarding quantitation with a reconstructed ion chromatogram(RIC): } } Assuming that all the other variables are under control and you have a } linear system, you have an additional source of error by using the RIC. } SIM measurements generally provide more data points per } chromatographic peak than an RIC. If your scan rate only gives you one } or two spectra per peak, then you will only have one or two points to } define the peak area, and your measurements will be correspondingly } inaccurate. } } SIM gives better signal-to-noise ratios than an RIC because you are } integrating each SIM channel for a longer time than the time you would } scan across the target m/z, and you are not wasting any integrating } time measuring baseline noise between peaks. With a scanning mass } spectrometer you will always get better quantitative accuracy with SIM } than with an RIC. } } HOWEVER, this argument is only for scanning mass spectrometers (quads, } sectors) and does not apply if you are using a non-scanning analyzer } (e.g. a time-of-flight mass spectrometer). You can get excellent } quantitation with an RIC if you use a TOF, assuming all of the other } variables are controlled. } } Chip Cody ****************************************************************************** From: Mike Sherrell Date: Mon, 27 Mar 2006 08:17:48 -0800 Subject: Advion Nanomate available $25K Organization: * Advion Nanomate, perfect condition, available for $25,000 -- less than half of new price. Delivers samples from 96 or 384 well plates to MS ESI source. Michael Sherrell Grizzly Analytical (USA) 707 887 2919/fax 707 887 9834 www.grizzlyanalytical.com ****************************************************************************** From: Joerg Hau Date: Mon, 27 Mar 2006 19:15:35 +0200 Subject: Re: Relative quantitation method Organization: * Hi, On Monday 27 March 2006 09:16, benoit80 wrote: } My objective is only to say "less", "more" or traces" not to put } numbers (ok, the title of the post is probably wrong : it's not } quantitation). These "relative" evaluation would be in addition to the } main result that I will communicate : "yes, this product is detected", } "no this product is not detected". ... even in that case you may want to have at least a rough estimate of your limit of detection at hand ... often enough, at the first approach people will ask something like "can you detect it", and shortly afterwards (usually when you have almost finished validating your *qualitative* method) they will ask "... ah yes, and how much is in there?" Been there, seen that (often enough ;-) Cheers + HTH, - Joerg -- joerg dot hau at swissonline dot ch * Lausanne, Switzerland http://homepage.sunrise.ch/mysunrise/joerg.hau/ "All standard disclaimers apply". remove the obvious from my address to reply ****************************************************************************** From: stefanclerens@gmail.com Date: 27 Mar 2006 16:21:28 -0800 Subject: LC Packings Ultimate UV detector - Analyst QS Organization: * Hi We want to import the UV trace of the LC Packings Ultimate UV detector to the Analyst QS 1.1 software. I'm told I need a BNC connector box and an A/D converter card, and add the "NIDAQ16" to the hardware profile in Analyst. Does anyone have this set-up? Would any National Instruments 16-bit data acquisition card work? Thanks very much, stefan ****************************************************************************** From: Chip Cody Date: 29 Mar 2006 06:51:08 -0800 Subject: Re: Relative quantitation method Organization: * A few more thoughts: 100 ms is a reasonable scan time, but 2 points per peak is not enough for quantitation. Undersampling and spectral skewing can cause real problems. . Furthermore, unless you have strong peaks, your ion statistics will suffer from a fast scan (charge = current * time, so short time means small charge measured). If you can set up a SIM method, you will definitely get better reproducibility. With no standards, you can't validate a method. Is there any way you can spike a sample (any sample) with differing amounts of ANY standard, make a working curve and check to see that your method gives sensible results? If not, you might as well forget the whole thing. You need to know over what concentration range the results will give a well-behaved response. Lastly, consider an alternative approach, maybe using a cryotrap. As much as I like SPME, sometimes the more hardware-intensive approach works better. I've seen some decent quant data from SPME, but urge-and-trap is still better established for quantitative analysis. Of course, you have to have the hardware to do the experiment... ****************************************************************************** From: Giacomo56 Date: Wed, 29 Mar 2006 20:12:14 -0600 Subject: MassLynx 4.0 Organization: * I just bought a Micromass Quattro 2 with an 1100 HPLC system running MassLynx 4.0.....can I run the HPLC just by itself and seeing the UV trace without acquiring the MS data...... Will the MassLynx software allow for "standalone" operation of the LC?...or do I need another software package to use the HPLC by itself....I want the instruments to do double duty. Thanks, -- Giacomo56 ****************************************************************************** From: benoit80 Date: 30 Mar 2006 03:30:47 -0800 Subject: Re: Relative quantitation method Organization: * I definitely agree. Purge and trap is far better for quantitation. Due to matrix effect, performance variation, non-linear response and so on... SPME doen't seems to be realy easy to handle for quantitation (even if the preconcentration step is very efficient and for identification purposes it works great...) The results I a m working on have been produced for VOCs identification. (first step before quantitation) I am just wondering how I could use these data to say : "yes, there are important (and meaningfull) variations between my samples considering the VOCs distribution, let's talk now of a way to quantify the most relevant VOC (with SPME and advanced calibration method, purge and trap, SIM mode....) Benoît. ****************************************************************************** From: "fished1@aol.com" Date: 31 Mar 2006 08:51:22 -0800 Subject: MS Theory Question Organization: * In the mass spectrum of a given molecule, what factors determine why some species exiting the ion source remain intact molecular ions, while others are fragments? Is the main determinant the amount of time the molecules spend in the ion source, and if so what factors affect this? Are varying energy levels a factor, and if so what are the causes for this? ****************************************************************************** From: Beda Date: 1 Apr 2006 01:12:59 -0800 Subject: Looking for a sofware of MS Organization: * Hi all! I work at university with a GC-MS and the software I use I think is CHEMSTATION (agilent); my data file of Mass spectrum are saved in filename.MS; how can I do to see also these file at home? anyone of you can suggest me a software (demo or free is ok) ) which can read and display these file in order to continue the work at home? (and if possible doing some quantitative!) Thank you so much for your attention. I wait for any answer! Beda ****************************************************************************** From: David Sparkman Date: Sat, 1 Apr 2006 11:14:27 -0500 Subject: RE: Looking for a software of MS Organization: * Beda, If you are using the GC/MS ChemStation, your data files are a folder (subdirectory) with the name \filename.d. In this folder is a file with the name data.ms. You will need to copy the folder \filename.d containing the data.ms file (and maybe some other files) to your home computer. You can download a program called Wsearch from http://minyos.its.rmit.edu.au/~rcmfa/search.htm. Wsearch will allow you to display your GC/MS ChemStation data files and work with them on your home computer. You can also downlaod a demo copy of the NIST MS Search Program with about 3K spectra and use it with Wsearch. The NIST software is downloaded from http:/chemdata.nist.gov. You can also downlad a copy of AMDIS from the same NIST site and use it to work with your \filename.d data files in the ChemStation format. Regards; David O. David Sparkman Consultant-At-Large ****************************************************************************** From: David Sparkman Date: Sat, 1 Apr 2006 11:26:20 -0500 Subject: RE: MS Theory Question Organization: * You did not specify the ionization technique. By referring to molecular ions it can be assumed that you are asking about electron ionization (EI). The stability of the molecular ion is dependent on the energy that the molecule receives when it is ionized and the stability of the resulting ion that is formed. Molecular ions of resonantly stabilized substances will be less likely to fragment than those that do not have resonance stability. The time dependance for molecular ion stability is not how long the ion remains in the ion source, but how long of a time passes between the formation of the molecular ion and its detection. If a molecular ion fragments, it will fragment in the ion source as soon as the ion is formed, except in the case of metastable decay. The loss of molecular ions in 3D QIT instruments is usually due to metastable decay. Regards; David O. David Sparkman Consultant-At-Large ****************************************************************************** From: "fished1@aol.com" Date: 1 Apr 2006 16:21:48 -0800 Subject: Re: MS Theory Question Organization: * Thanks for your response. Yes, I am referring to EI. For a given single compound that gives a decent sized molecular ion, along with several fragments, what determines that some of the species exiting the source are molecular ions while others are fragments. In other words, if I were somehow able to pass a single molecule at a time of a given compound into the source, it would sometimes exit as a molecular ion, sometimes as a fragment ; what factors determine this? Ed ****************************************************************************** From: DMS Date: 2 Apr 2006 19:16:46 -0700 Subject: Re: MassLynx 4.0 Organization: * The easiest way to do this is to set up a dummy MS acquisition. Nothing actually needs to be going to the MS but MassLynx expects the MS to be in the ready state and so won't acquire data without the dummy MS (aka Experiment or Scan) File. There are some standalone LC configurations that allow acquisition without any MS data at all but they all involve Waters LCs as oppossed to Agilent. Regards, Doug Stevens Giacomo56 wrote: } I just bought a Micromass Quattro 2 with an 1100 HPLC system running } MassLynx 4.0.....can I run the HPLC just by itself and seeing the UV trace } without acquiring the MS data...... } Will the MassLynx software allow for "standalone" operation of the LC?...or } do I need another software package to use the HPLC by itself....I want the } instruments to do double duty. } } Thanks, } } -- } Giacomo56 ****************************************************************************** From: simone.cristoni@virgilio.it Date: 3 Apr 2006 01:28:07 -0700 Subject: HELP! .cdf converter needed Organization: * I usually acquire LC-MS run using the data dependent scan approach so I obtain MS and MS/MS spectrum in the liquid chromatographic run. Do you know if exist a software to convert only the LC-MS data (not the LC-MS/MS) to .cdf format? In fact I have seen that when I convert the .raw thermoelectron LCQ file format to the .cdf one both LC-MS and LC-MS/MS are mixed toghether without distinguish them and I need only the LC-MS data. Please reply me both to the newsgroup and to my E-MAIL address: simone.cristoni@virgilio.it Sincerely yours. Simone ****************************************************************************** From: "harryjan@quicknet.nl" Date: 3 Apr 2006 09:27:55 -0700 Subject: Gc-MS (5973n versus 5975). Organization: * I work for a large company in a laboratory. One of the analyses we do is pyrolysis- GC-MS of polymers. At the moment we are replacing an old GC-MS. We are investigating several suppliers of GC-MS instruments. One of these suppliers is Agilent. Agilent offers two models of GC-MS's: 1. Agilent 5973N GC/MS 2. Agilent 5975 inert MSD. Our supplier recommends Agilent 5973N GC/MS. It is lower in price than the 5975 inert MSD and according to them it is a good instrument for our analysis. However, I have some doubts about this choice. The 5973N has been introduced in 1997. Of course some improvements have been made, but 9 years after its introduction might not the technology be a little behind? If I compare the instrument with the other instrument on the market (including 5975 inert) it seems to me that especially the scan rate, mass range and sensitivity have been improved since. When will Agilent stop with their production of the 5973N and what about the support service (time) after they will have stopped ? An other thing that worries me is the diffusion pump. It is the only instrument out there with a diffusion pump. At our laboratory we have occasionally a power fail. Of course that is not very good for any instrument, but in the case of a diffusion pump I am extra worried for pollution of the quadrupole. Maybe I am completely wrong with my doubts. That is the reason why I put these questions in front of this discussion group. Please can someone advise me about this matter? Thank you very much in advance for any comments you might have. Best regards, H.v.d.Tuin ****************************************************************************** From: rlmobil Date: Mon, 03 Apr 2006 22:57:43 +0200 Subject: Re: HELP! .cdf converter needed Organization: * Simone, I am not aware of a commercially available product that will do what you are looking for. The chances to get it: 1. Export the data to a textfile using fileconverter of XCalibur, then write a program (either DOS batch or some **x* script (e.g.using cygwin) to filter out all the MS/MS scans and then convert the result to .cdf. 2. Using XDK (which has to be installed during XCalibur installation; in order not to destroy your current configuration, install XCalibur including XDK on a separate system for testing) write your own utility to read .raw files, filter for MS only and write the data to an putput file. 3. Convert the .cdf you created with a program to filter out the MS data to a new .cdf file. Although .cdf is well documented, I would not recommend this way to do it, as MS/MS data have never been defined well in this fil