Thermo Scientific irm-gc/ms Technology

m a s s s p e c t r o m e t r y Thermo Scientific irm-gc/ms Technology Get More Information from Your GC Samples Environmental Studies Forensics and Doping Control Ecology and Metabolic Studies Geochemistry and Petrology Food and Flavor Control Part of Thermo Fisher Scientific

Thermo Scientific irm-gc/ms Get more Information from your GC Samples... The Thermo Scientific irm-gc/ms is the first fully integrated irm-gc/ms system which is operated like a GC/MS. The new Thermo Scientific GC IsoLink unit integrates the Thermo Scientific TRACE GC Ultra gas chromatograph with the Thermo Scientific DELTA V isotope ratio mass spectrometer into one easy-to-use unit. The isotope ratios of all compounds in a GC application can now be monitored with precision of better than 2 ppm (0.0002 at%). The GC IsoLink unit incorporates the knowledge and experience of an installed base of more than 800 irm-gc/ms systems. All injection techniques and detector systems including Thermo Scientific GC/MS analyzers can be an integrated part of the irm-gc/ms system creating the most powerful analytical tool set. Target compounds in environmental forensics Persistent Organic Pollutants POPs Volatile Organic Compounds VOCs PAHs and PCBs Hydrocarbons in petroleum products and sediments Tracers and metabolites in ecosystems Lipids and fatty acids Amino acids Carbohydrates Biomarkers in biogeochemistry Alkanes and alkenes Hopanes Natural gas Authenticity control of food and flavors Terpenes and terpenoids in essential oils Fatty acids Drugs and explosives in forensic investigation Amphetamines Xanthines Nitrobenzenes 2

Structural Elucidation by GC/MS Separation by High Resolution GC 13 C / 12 C Isotopic Fingerprints by irm-gc/ms...by adding irm-gc/ms Isotope ratio monitoring-gc/ms Chemical and physical processes can change the natural isotope composition of organic compounds. The carbon, nitrogen, oxygen and hydrogen isotope ratios preserve a trace to these events in every molecule of a compound. These isotope signatures reveal information not accessible in any other way. This includes the origin of a compound, its synthesis pathway, conditions at its formation, sometimes even a substrate can be discovered. Paleoclimatic and diagenetic conditions can be resolved by the compound specific isotope analysis of biomarkers. Metabolic pathways can be unraveled by using isotopic tracers with lowest artificial isotope enrichment or with a distinctly different natural abundance. While GC/MS provides information on structural elucidation and compound quantitation, isotope ratio monitoring GC/MS (irm-gc/ms) reveals the history and origin of compounds by reading their isotopic signature with ultrahigh precision. Small variations of the natural isotope abundances cannot be detected with GC/MS systems. Only the combination of a GC and an isotope ratio mass spectrometer is capable of routinely achieving the required precision. This combination allows to determine the isotope ratios of all individual compounds in a complex mixture. All fields of application using GC and GC/MS can benefit from isotope ratio monitoring GC/MS. Isotopic fingerprints analyzed by irm-gc/ms may still provide information where classical GC/MS methods based on compound quantitation cannot. 3

Thermo Scientific irm-gc/ms Get more Information from your GC Samples... Compound specific isotope analysis of 13 C, 15 N, 18 O, and 2 H All GC-volatile compounds Analysis in the picomole range One automated sequence for 13 C, 15 N and 2 H determination High GC performance due to true capillary design Fully automated and maintenance-free operation Self-diagnosis and determination of system parameters Combination of quadrupole MS with irm-gc/ms TriPlus autosampler, ConFlo IV universal interface, GC IsoLink unit and Trace GC Ultra gas chromatograph. Doping Control: Prolong Detection of Testosterone Administration Analysis and Confirmation of Synthetic Testosterone Synthetic testosterone has a different isotope ratio than natural, endogenous testosterone. Therefore doping can be detected by comparing an athlete s testosterone isotope ratio with the isotope ratio of its endogenous precursors, e.g. cholesterol. This is much more sensitive and specific than monitoring compound ratios such as the testosterone/epitestosterone ratio. *Data courtesy of German Sports University Cologne, Germany, Center for Preventive Doping Research/Institute of Biochemistry. Comparison of urinary T/E ratios and δ 13 C testosterone values determined by irm-gc/ms after ingestion of 40 mg testosterone-undecanoate.* 4

GC/MS analyzes the ionized molecule and its fragments for quantitation and structural elucidation. irm-gc/ms enhances all isotope information by converting the compounds into simple gases, such as CO 2, N 2, H 2 or CO. The new GC IsoLink unit eliminates the complexity of this conversion and for the first time allows automatic switching between elements, controlling all aspects of the conversion....by adding irm-gc/ms Ecology and Metabolic Studies: Explore Complex Ecosystems Elucidation of Metabolic Pathways The isotope ratios of substrates, metabolites, and biomarkers are used to explore complex ecosystems with respect to structures of food chains, sources of compounds, detection of species involved in specific processes. Artificially and naturally labeled compounds in combination with irm-gc/ms analysis enable direct identification of species, elucidation of pathways and turnover rates. These concepts do apply to all biological applications with the focus on dietary and life conditions, migration patterns, position in food webs, metabolic processes and diseases. Amplitude (mv) 5000 3000 1000 Methyl Palmitate 1009.8 Methyl Stearate 694.6 m/z 2 m/z 3 1000 1500 Time (s) δ 2 H [ ] Fatty Acid Methyl Esther (FAME) analysis of dog plasma samples. 5

Thermo Scientific irm-gc/ms Principle of irm-gc/ms The separation power of capillary GC is now combined with the high precision of Isotope Ratio MS using the new GC IsoLink unit for compound specific isotope analysis of 13 C/ 12 C, 15 N/ 14 N, 18 O/ 16 O and D/H. Each organic compound eluting from the GC column is converted into simple gases when traversing one of the capillary microreactors. Two conversion techniques are applied: Quantitative high temperature combustion for 13 C and 15 N determination converts compounds into CO 2, N 2 and H 2 O at up to 1450 C. The H 2 O formed in the oxidation process is removed on-line and maintenance-free. Injector Oxidation 1100 C Quantitative high temperature pyrolysis for D/H and 18 O/ 16 O determination converts organic H to H 2 at 1450 C and organic O to CO at 1280 C in inert and reductive capillary reactors. Because quantitative conversion is achieved no additional clean up is required. Fully automated computer control directs the GC flow into the combustion or the pyrolysis reactor which allows for the first time the analysis of 13 C, 15 N and 2 H within one batch of sequences. This new feature makes irm-gc/ms as easy to operate as classical GC/MS systems. Open Split He+CO 2 Isotope Ratio MS High Temperature Pyrolysis 1450 C Quadrupole MS GC Column Get more Information from your GC Samples Environmental Forensics: Reveal the Origin of Samples Tracing Oil Spills by Isotope Fingerprints The molecular and the isotopic fingerprints of crude oils and refined petroleum products differ according to their origin and thermal maturity. The molecular fingerprint of such products changes when exposed to the environment due to physical and chemical processes, losing the link to original sources. In contrast, the isotopic fingerprint of oils does not alter during environmental degradation. Isotopic composition [ ] -31-30 -29-28 -27-26 -25-24 -23 original cargo oil related shoreline residue bird feathers unrelated shoreline residue C16 C17 C18 C19 C21 C22 C23 C24 C25 C27 C29 C30 δ 13 C [ ] analysis by irm-gc/ms allows to keep the link between weathered residues and the source of oil pollution. ** ** Data courtesy of L. Mazeas, and H. Budzinski, Institut des Sciences Moléculaires (ISM), CNRS Laboratoire de Physico-et-Toxico-Chimie de L Environnement, Talence, France. 6

Thermo Scientific Isodat Software Suite for irm-gc/ms The irm-gc/ms system is fully automated and controlled by the Isodat software suite. This program is focused on continuous routine analyses with a fast setup of all methods and sequences. When coupled to a GC autosampler, the system can be operated fully unattended for high sample throughput and high productivity. All GC injection techniques and additional GC detectors are fully supported. The irm-gc/ms does not require any user interaction during operation. Automated system parameter control, data evaluation and report generation make irm-gc/ms as easy-to-use as standard GC/MS. The Thermo Scientific irm-gc/ms technology can also be hyphenated with the Thermo Scientific DSQ II single quadrupole GC/MS for simultaneous isotope and structural elucidation using the Isodat software suite and Thermo Scientific Xcalibur data system software. Thermo Scientific Isodat software suite. by adding irm-gc/ms Biogeochemistry: Read Geological Archives Reconstructing Paleoenvironmental Conditions The hydrogen isotopic composition of individual n-alkanes and acyclic isoprenoid alkanes in crude oils is controlled by biosynthetic precursors, source water and post-depositional processes. Oils derived from source rocks still retain a strong signature of the hydrogen isotopic compositions of source organic matter and source water. This indicates that 13 C/ 12 C and D/H values can be used for oil-source correlation and for paleoenvironmental reconstructions. 2 [V] 3/2 0.4 0.3 0.2 1.2 1.0 0.8 C 17-150.6 pristane -133.8 D/H Ratio Trace H 2 Trace C 18-146.1 phytane -131.8 0.6 4400 4500 4600 4700 4800 Time (s) δ 2 H [ ] of alkanes with GC separation of C 17 / pristane and C 18 / phytane. 7

Installation Requirements In addition to these offices, Thermo Fisher Scientific maintains a network of representative organizations throughout the world. Power 3-phase 230/400 V -10% + 6%, fused 16 A/phase (single-phase optional), 50/60 Hz, dedicated line voltage must be free of spikes. Thermo Scientific Instruments for irm-gc/ms GC IsoLink unit ConFlo IV universal interface TRACE GC Ultra gas chromatograph TriPlus autosampler DELTA V isotope ratio MS Supplies Helium carrier gas Reference and regeneration gases Compressed air > 400 kpa (> 50 psi) Thermo Scientific columns and consumables Thermo Scientific irm-gc/ms Unit Setup and Dimensions 81 cm (32 inches) Literature Sessions A.L., J. Sep. Sci. 2006, 29, 1946-1961. Benson S., et al., Forensic Sci. Int., 2006, 157, 1-22. Mazeas L., Budzinski H., J. Environ. Sci. Technol. 2002, 36, 2, 130-137. Boschker H.T.S., Middelburg J.J., FEMS Microbiology Ecology 2002, 40, 85-95. Li M., et al., Organic Geochemistry 2001, 32, 1387-1399. Hilkert A.W., et al., Rapid Commun. Mass Spectrom. 1999, 13, 1226-1230. Horning S., et al., In: Schänzer W., et al., Recent advances in doping analysis (4). Sport und Buch Strauß, Köln, 1997, 275-284. Juchelka D., Mosandl A., Pharmazie 51 (6), 1996. Matthews D.E., Hayes J.M., Anal. Chem. 1978, 50, 1465-1473. For publications and application data in your field of application, please contact our product specialists. 55.3 cm (22 inches) 92 cm (36 inches) Africa-Other +27 11 570 1840 analyze.sa@thermo.com Australia +61 3 9757 4300 analyze.au@thermo.com Austria +43 1 333 50 34 0 analyze.at@thermo.com Belgium +32 53 73 42 41 analyze.be@thermo.com Canada +1 800 530 8447 analyze.ca@thermo.com China +86 10 8419 3588 analyze.cn@thermo.com Denmark +45 70 23 62 60 analyze.dk@thermo.com Europe-Other +43 1 333 50 34 0 analyze.emea@thermo.com Finland / Norway/ Sweden +46 8 556 468 00 analyze.se@thermo.com France +33 1 60 92 48 00 analyze.fr@thermo.com Germany +49 6103 408 1014 analyze.de@thermo.com India +91 22 6742 9434 analyze.in@thermo.com Italy +39 02 950 591 analyze.it@thermo.com Japan +81 45 453 9100 analyze.jp@thermo.com Latin America +1 561 688 8700 analyze.la@thermo.com Middle East +43 1 333 50 34 0 analyze.emea@thermo.com Netherlands +31 76 579 55 55 analyze.nl@thermo.com New Zealand +64 9 980 6700 analyze.au@thermo.com Russia/CIS +43 1 333 50 34 0 analyze.emea@thermo.com South Africa +27 11 570 1840 analyze.sa@thermo.com Spain +34 914 845 965 analyze.es@thermo.com Switzerland +41 61 716 77 00 analyze.ch@thermo.com UK +44 1442 233555 analyze.uk@thermo.com USA +1 800 532 4752 analyze.us@thermo.com www.thermoscientific.com Thermo Fisher Scientific (Bremen) GmbH Management System Registered to ISO 9001:2008 Thermo Fisher Scientific, San Jose, CA USA is ISO Certified. 2008, 2010 Thermo Fisher Scientific Inc. All rights reserved. All trademarks are the property of Thermo Fisher Scientific Inc. and its subsidiaries. Specifications, terms and pricing are subject to change. Not all products are available in all countries. Please consult your local sales representative for details. BR30149_E 09/10C