microtof-q III Innovation with Integrity The bench-mark in accurate mass LC-MS/MS ESI-Qq-TOF

Transcription

1 microtof-q III The bench-mark in accurate mass LC-MS/MS Innovation with Integrity ESI-Qq-TOF

2 The Advantage of Confidence in Routine The microtof-q range is widely acknowledged in setting standards in performance and reliability by which all other accurate mass ESI mass spectrometers are judged. microtof-q III demonstrates the best performance standard in its class: 20,000 full sensitivity resolution Low picogram sensitivity 2 ppm mass accuracy Each performance parameter whether it is mass accuracy, resolution, or sensitivity is top in its class. Uniquely in the market, microtof-q III makes no compromise in delivering the best - all parameters are simultaneously delivered for fullest possible insight into your sample. Complete applications solution software allows your microtof-q III to become your dedicated partner whatever your challenge in routine formulae confirmation, advanced screening and identification, or intact proteins and biopharmaceutical analysis.

3 Your Partner in Innovative Chemistry Chemical formula generation Compass OpenAccess provides an automated walk-up LC-MS system for chemical formula generation, molecular formula confirmation and generic LC-MS measurements. This client-server based software supports LC-MS workflows especially for chemists in laboratories with various levels of instrumental analysis experience. Compass OpenAccess job results GC-APCI The GC-APCI source enables the combination of LC-QTOF MS with both LC and GC. The microtof-q III system provides exact mass accuracy and resolving power to expand the horizon for GC-MS based analyses. Data acquisition rates of 20Hz and faster are mandatory for typical GC peak widths of < 2 s (FWHM). The unambiguous formula ID from the GC-TOF-MS run is determined using SmartFormula. Compound ID of TNT APCI II ion source with DirectProbe assembly (DIP) Int x NO 2 C 7 H 5 N 3 O NO 4 C 7 H 5 N 2 O OH - C 7 H 4 N 3 O C 7 H 5 N 2 O m/z Negative ion APCI spectra of the explosive TNT measured on an DirectProbe API-TOF system. Here, the accurate mass values allow the direct verification of the compound and its fragment ions. The DirectProbe assembly (left) is an add-on to the Bruker APCI II ion source. Sample preparation involves simply dipping the disposable glass capillary (green) into the solid or liquid sample and sliding it into the APCI II source where vaporization and ionization takes place.

4 SmartFormula determination Three dimensions of information simultaneously raise your analytical tasks to unrivaled heights of confidence: Measure with unequalled accurate mass Validate with True Isotopic Pattern (TIP) analysis Also benefit from accurate mass and TIP in analysis of fragments in MS/MS mode Mass accuracy, chemical knowledge and SmartFormula 3D TM clearly limit the number of possible formulae in molecular formula generation: for confident determination of the elemental composition of a given peak. This valuable sub-ppm confidence is available for formula determination in pharmaceutical impurity analysis, metabolite identification, pesticide screening and toxicology & doping analysis. Advanced multi-target screening Confident quantitative and qualitative multi-target screening for forensics, doping control and residue analysis. Due to a full-scan accurate-mass approach in combination with application specific high-quality screening libraries thousands of compounds are identified and confirmed by SmartFormula3D from 1 single LC-ESI-TOF run. Retrospective in-silico screening for new or unexpected compounds is possible because, unlike in triple-quad based MRM methods, the full molecular information content is retained. Mass Accuracy several ppm accuracy plus Chemical Expertise additional confidence plus SmartFormula (Mass Accuracy+TIP) sub-ppm confidence plus SmartFormula3D (fragments-based TIP) unambiguous formula ID Advanced multi-target screening Intens. x ppm mda 200 ppb 1,21 0,39 1,45 0,51 1,66 0, ppb 1,01 0,34 2,16 0,74 0,91 0,31 0,97 0,33 0,96 0,31 # possible formulae numerous medium few single Heliotrine Average of mass accuracy obtained from multiple injections Senecionine 0.4 Seneciphylline Senkirkine Retrorsine 12 Monocrotaline 14 8 Lycopsamine 6 Heliotrine-N-oxide Senkirkine-N-oxide 4 Senecionine-N-oxide Seneciphylline-N-oxide 3 Lycopsamine-N-oxide Monocrotaline-N-oxide 7 Retrorsine-N-oxide Time [min] 9 CVUA_1-2_200ppb_GA8_01_2090.d High resolution chromatogram (hrxic) identifying Pyrrolizidin-Alkaloides 200 ppb each in honey.

5 Top-Down Analysis of Intact Proteins and Antibodies Intact protein mass resolution measured spectrum, m = 1.3 ppm simulated spectrum; R=20,000 C 627 H 988 N 173 O 233 S 12, m/z m/z Ribonuclease B. A spectrum of the intact protein acquired with the microtof-q III. The mass difference to the calcu lated mass is only 1.3 ppm. A resolution of > 20,000 FWHM is achieved. BioPharma Compass results Reports and data accessible from Internet Browser Automated analysis of monoclonal antibodies Result view of the intact mass workflow for identity testing of discovery mabs. The identity of 54 different antibodies coming out of discovery are confirmed here. Color coding defined by user. Shown here according to average mass accuracy of 50 ppm (left) and an intensity of 3000 counts in the deconvoluted spectrum. For gray, the reference mass was not yet available. Raw data are available from the Compass OpenAccess server immediately after the analysis, and are accessible to all with a password to the server. In addition, the quantitative data can be exported to Excel. Data with courtesy of Symphogen A/S, Lyngby, Denmark

6 Bruker Daltonics is continually improving its products and reserves the right to change specifications without notice. BDAL , # Technical Specifications Best in its class performance Proven microtof-q technology Class-leading combination of mass accuracy, resolution and sensitivity without compromise SmartFormula3D, the unique combination of accurate mass and true isotopic pattern of both, parent and fragment ions Wide dynamic range for ultra-stable accurate mass High-transmission dual ion funnel Q-q-front end Dimensions 640 x 949 x 1320 mm, weight 160 kg Source options APCI atmospheric pressure chemical ionization source APPI atmospheric pressure photo ionization source Direct probe option Direct GC coupling CryoSpray Source CaptiveSpray NanoElectrospray source CE/MS coupling with grounded ESI needle Compass & application software suites Integrated LC-MS/MS control and data processing Compass OpenAccess: Walk-up LC-MS chemical formula generation MetaboliteTools metabolite and impurity identification TargetAnalysis multi-target compound screening ProfileAnalysis LC-MS based profiling and label-free quantitation ProteinScape the bioinformatics platform Support of HPLC and sample inlet systems from the following vendors: Bruker nano-advance LC, Advion TriVersa, NanoMate, Agilent, Dionex, Shimadzu, VWR/Hitachi, Waters (incl. UPLC), Autosamplers from CTC Analytical performance Mass range 20 40,000 m/z Mass accuracy 1-2 ppm RMS Error Mass resolution 20,000 (FWHM) at LC-speed Advanced temperature compensation Up to 40 Hz Acquisition rate (2GSample/sec sampling rate) For research use only. Not for use in diagnostic procedures. Bruker Daltonik GmbH Bremen Germany Phone +49 (0) Fax +49 (0) sales@bdal.de Bruker Daltonics Inc. Billerica, MA USA Fremont, CA USA Phone +1 (978) Phone +1 (510) Fax +1 (978) Fax +1 (510) ms-sales@bdal.com ms-sales@bdal.com