Agilent Technologies LCMS Portfolio

Transcription

1 Agilent Technologies LCMS Portfolio Hardware and Software Solutions for the Most Challenging Applications Jean-Francois Roy MS Product Specialist Agilent Technologies 1

2 Raising the Standard in UHPLC Highest Value for any Application and Budget 1260 Infinity Infinitely more confident 1290 Infinity Infinitely more powerful 1220 Infinity Infinitely more affordable

3 Raising the Standard in HPLC Highest Value for any Application and Budget 1220 Infinity Infinitely more affordable Integrated 600 bar 80 Hz Most affordable HPLC and UHPLC Easy to use

4 Raising the Standard in HPLC Highest Value for any Application and Budget 1260 Infinity Infinitely more confident Modular 600 bar 80 Hz Up to 10x UV Sensitivity 100% HPLC Compatible HPLC Price UHPLC Capability

5 Raising the Standard in HPLC Highest Value for any Application and Budget 1290 Infinity Infinitely more powerful Modular 1200 bar 160 Hz Highest Performance Highest Flexibility HPLC Service Costs

6 The Agilent 1200 Infinity Series: Power Range Pressure (bar) Infinity LC All analytical columns Method Transfer Higher Resolution Faster Analysis More viscous solvents Lower temperatures Semi-prep Infinity Binary LC 1260 Infinity Quat./Iso LC 1220 Infinity LC Flow (ml/min) 6

7 Flex Cube: Online SPE and Backflush Solutions Solvent selection valve for up to three solvents Valves mounted in 1290 Infinity Flexible Cube Reciprocating single-piston pump for flows up to 4 ml/min (60 bar) up to two Quick-Change valves, according to application 7

8 Flex cube pump Column Mass Spec Std. ALS 900 µl head SPE Bin Pump SPE1 Load System with alternating SPE loading: Load sample to SPE1 waste

9 Flex cube Std. ALS 900 µl head Column Load SPE2 Mass Spec 1260 Bin Pump SPE1 Elute waste System with alternating SPE loading: Elute sample from SPE1 to column / Load sample 2 on SPE2

10 LC/MS Portfolio 6100 Single Quadrupole 6200 TOF 6400 Triple Quadrupole ifunnel Technology tmrm 6500 QTOF ifunnel Technology Qual/Quan MassHunter Software Suite

11 Agilent 6000 Series LC/MS Portfolio Single Stage High Resolution Qualitative - Untargeted * 6200 series TOF 6500 series Q-TOF Tandem Stage Quantitative - Targeted 6100 series Quad High Specificity 6400 series QQQ

12 6100B Series Single Quad

13 6100B Series Simple Quad G6120B G6130B G6150B Sensitivity (1 pg Reserpine) 75:1 250:1 (with AJS) 650:1 Scan Range 2000m/z 3000m/z 1350m/z Scan Speed u/s u/s u/s Polarity Switching 20 ms 20 ms 20 ms

14 Performance Protect your investment: Possibility of future upgrade, in your lab! Upgrade path Most flexible 6150B 3 Models 6120B 6130B Most sensitive Infinity LC Easiest to use: our best-seller! Analytical needs

15 New Multi-User, Walk-up Software for Single Quads Add samples any time or change sample priority with intuitive software 15

16 Mass Based Fraction Collection Purify Your Way DAD MS 16

17 Supercritical Fluid Chromatography (SFC) Advantages Lower operating cost: food grade CO2 Green Orthogonal to reversed-phase LC High speed Great for isomers and chiral compounds Agilent offers hybrid system that allows switching from SFC to UHPLC back and forth in a single sequence Easily coupled to MS! 17

18 SFC-MS Applications 18

19 Agilent 6000 Series LC/MS Portfolio Single Stage High Resolution 6200 series TOF 6500 series Q-TOF Tandem Stage 6100 series Quad High Specificity 6400 series QQQ

20 Performance 6400 Series QQQ: Excellent Value and Performance ifunnel Technology S/N > 50,000: Triple Quad AJS Triple Triple Quad Quad S/N > 10,000: Triple Quad S/N > 3000: Triple Quad S/N > 1500:1

21 Performance 6400 Series QQQ: Excellent Value and Performance ifunnel Technology Ultra-trace & -fast Analyses 6430 Trace Analyses Infinity LC 6420 Ease of use Workhorse Routine Quantitation

22 ifunnel Technology Revolutionizes Ion Sampling Agilent Jet Stream Thermal confinement of ESI plume Efficient desolvation to create gas phase ions Creates an ion rich zone Hexabore Capillary 6 capillary inlets Samples ~10 times more ion rich gas from the source Captures the majority of the gas from the source region Dual Ion Funnel Removes the gas but captures the ions Removes neutral noise Extends turbo pump life Captures up to 10 x more ions! 22

23 Ultimate Sensitivity with ifunnel Technology A Lot More Signal, A lot Less Noise Agilent 6490 QQQ LC/MS Page 23

24 Agilent Dynamic MRM Maximize Your Quantitation Performance Cycle time # Concurrent dmrm = x3 x4 x4 x3 x4 x2 x1 Group MRMs in RT windows instead of time segments 2x shorter cycle time supports narrow UHPLC peaks Supported by very fast MRM speed (1 ms dwell) and polarity switch Page 24

25 Quantify up to 4000 Compounds per Run in Complex Matrix Page 25

26 Triggered MRM: Screen, Confirm and Quantify in one experiment tmrm Triple Quad MRM Acquisition Quantitative Cost Effective Qualitative MRM Dynamic MRM Data Dependent Triggered MRM Faster Cycle Times for UHPLC peaks Constant Cycle Time for Lower RSDs Quantify and Confirm with One Triple Quad > 10 X more Sensitive than Product Ion Scans Support for NIST Library 2.0 Support for Personal Compound Libraries New Scan Function for Simultaneous Qual/Quan 26

27 Triggered MRM, tmrm Database and Library Fast, Sensitive, Cost-effective Compound Confirmation Triggered cycle (above threshold) Compound Precursor Product Analyte Analyte Analyte Analyte Analyte Analyte Analyte Threshold Primary cycle (below threshold) Compound Precursor Product Analyte Analyte Page 27

28 tmrm Product Ion Spectrum A Re-Constructed Product Ion Spectrum that is Library Searchable x > > > > > x x x x x > 132 x > x > 147 x > x tmrm Product Ion Spectrum Tebufenpyrad

29 Triggered MRM, tmrm Database and Library Fast, Sensitive Compound Confirmation to Prevent False Positives Triggered cycle (above threshold) Compound Precursor Product Analyte Analyte Analyte Analyte Analyte Analyte Analyte Threshold Primary cycle (below threshold) Compound Precursor Product Analyte Analyte tmrm database accelerates acquisition method setup tmrm library Match Score for compound confirmation tmrm is Fast and Sensitive UHPLC compatible Simultaneous Quantitation, Screening and Confirmation Page 29

30 tmrm LC/MS Application Kits Targeted Screening & Confirmation with QQQ Pesticides Method -Test Mix: 254 compounds -DB: 500+ compounds -Library: 250+ compounds tmrm Database & Library LC/MS Application Kits Standards Veterinary Drugs -Test Mix: 200+ compounds LC Column On Site Training -DB: 500+ compounds -Library: 200+ compounds Forensic Toxicology -Test Mix: 100+ compounds -DB: 500+ compounds -Library: 100+ compounds 30

31 Agilent 6000 Series LC/MS Portfolio Single Stage High Resolution 6200 series TOF 6500 series Q-TOF Tandem Stage 6100 series Quad High Specificity 6400 series QQQ

32 Time of Flight (TOF) Technology Based on an ion s time of arrival at the detector

33 A Time of Flight Scan 1. Pulse ions every 100 microseconds 2. Measure at detector each nanosecond ,000 data points in each transient 4. Sum transients into one scan 5. Produces spectra with excellent ion statistics 20 µsec m/z µsec - m/z µsec - m/z 2421

34 Agilent TOF/Q-TOF: Accuracy, Resolution and More monoisotopic mass Isotope distribution Isotope spacing 34

35 6200 Series TOF Agilent 6230 TOF Mass accuracy: 2 ppm Resolution: Mass range: m/z Dynamic Range: 5 orders in-scan Impurity Analysis Fast Screening for Pharmaceutical Libraries Environmental and Food Testing Toxicology Screening

36 Mass Resolving Power to Analyze co-eluting Isobaric Pharmaceutical Impurities O O OH Methyl 5-acetyl-salicylate (MAS) [M+H] HO O O Butyl paraben (BP) [M+H] O Unit Resolution (from a Quadrupole analyzer) Zoom TOF Resolution and Mass Accuracy Counts vs. Mass-to-Charge (m/z) Counts (%) vs. Mass-to-Charge (m/z)

37 Drug Metabolism - Coeluting Metabolites With Parent Drug Five decades of dynamic range response in a single scan! verapamil dihydroxy metabolite of verapamil 6 x counts (M+H) million desmethyl metabolite monohydroxy metabolite counts (M+H) Counts vs. Mass-to-Charge (m/z) 25 counts Page 37

38 TOF Pesticide Screening 250 pesticides, 50 pg on column 17 min. Thiabendazole 3 min. Peak Width=0.8 sec 23 data points 1.5 min ppm Spectral Resolution & Isotopic Fidelity

39 Agilent Personal Compound Database Food Safety Screening, Metabolomics, Forensics Scoring based on monoisotopic mass Isotope distribution Isotope spacing Accurate mass and optional RT databases (AMRT) Endogenous metabolite database (METLIN) compounds including lipids Pesticide database (1600 pesticides) Forensic, toxicology, pharmaceutical database (9000 compounds) Create your own compound database

40 Agilent 6000 Series LC/MS Portfolio Single Stage High Resolution 6200 series TOF 6500 series Q-TOF Tandem Stage 6100 series Quad High Specificity 6400 series QQQ

41 6500 QTOF Product Line Excellent Value and Performance - Sensitivity Resolution Accuracy 6530 QTOF LC/MS Agilent JetStream for greatest sensitivity Robust, easy to use 500: ppm Wide dynamic range for qual/quant applications UHD UHD QTOF QTOF LC/MS LC/MS Sub 1-ppm mass accuracy for highest confidence compound identification 450:1 Versatile system with highest resolution 1 ppm Fast scan speed to match UHPLC separations 6550 ifunnel QTOF LC/MS Agilent ifunnel for greatest sensitivity 4500:1 Perfect for most demanding applications 1 ppm Wide dynamic range for qual/quant applications Fastest scan speed to match UHPLC separations Page 41

42 Agilent 6550 Q-TOF with ifunnel Technologies Longer Invar flight tube (resolution + stable mass accuracy) New- Dual Agilent JetStream orthogonal spray (robust and stable mass calibration) New- ifunnel (10X sensitivity gain) New- Ion Beam Compression and Shaping (resolution + sensitivity) Hexapole axial focusing collision cell (faster MS/MS spectra) New embedded processor (50 spectra/sec) 4 GHz digitizer + ADC detector (resolution, mass accuracy, dynamic range) 42

43 6500 Accurate Mass QTOF Solutions Biopharmaceutical Characterization Impurity Analysis Environmental and Food Testing Toxicology Screening Protein ID and Biomarker Discovery Metabolomics characterization Metabolite Identification Qual/Quan metabolite profiling

44 High Confidence Identification of Phenylalanine using MS/MS Fragment Search Phenylalanine Library Search < 1ppm mass accuracy for MSMS fragments drives high confidence ID Page 44

45 Analysis of Unknown PPCPs in Water Sample Screening Pharmaceutical and Personal Care Compounds Detect potential PPCP at < 1 pg/ul in water Requires high confidence identification tools 6550 ifunnel QTOF enhanced sensitivity and <1ppm mass accuracy Limit of quantitation (LOQ) is lower than 0.1 pg/ul. Average mass errors of < 1 ppm (MS) Agilent provides accurate mass database

46 Agilent 6000 Series LC/MS Portfolio Single Stage High Resolution Qualitative - Untargeted * 6200 series TOF 6500 series Q-TOF Tandem Stage Quantitative - Targeted 6100 series Quad High Specificity 6400 series QQQ

47 Analysis of Unknown PPCPs in Water Sample Screening Pharmaceutical and Personal Care Compounds Detect potential PPCP at < 1 pg/ul in water Requires high confidence identification tools 6550 ifunnel QTOF enhanced sensitivity and <1ppm mass accuracy Limit of quantitation (LOQ) is lower than 0.1 pg/ul. Average mass errors of < 1 ppm (MS) Agilent provides accurate mass database * Agilent 6550 QTOF is an excellent solution for both unknown compound Qualification and Quantitation.

48 All Ions MS/MS-What is it? Step 1: Fragmentation without Isolation on TOF or Q-TOF a) First Scan: Low fragmentation energy to analyze precursors b) Second Scan: High fragmentation energy to analyze fragment ions Low energy spectrum Shows Precursor Ions High energy spectrum Shows Fragment Ions 48

49 All Ions MS/MS-What is it? Step 2: Software Extracts, Correlates, and Confirms a) Find by Formula uses library to extract precursors from low energy MS channel b) All Ions MS/MS uses library to extract fragments from high energy channel, gives coelution score Software automatically matches precursors with fragment ions: Coelution Plot with Coelution Score 49

50 Differentiation and Identification of Isomers Untargeted Drug Screening in Postmortem Blood Alprazolam Coeluting with ~50x Concentration Difference Methadone 50

51 Differentiation and Identification of Isomers Untargeted Drug Screening in Postmortem Blood Similar precursor m/z values and overlapping isotopic clusters 51

52 Compound Confirmation-Methadone Untargeted Drug Screening in Postmortem Blood Red outline overlays theoretical isotopic pattern and abundance with acquired precursor data for methadone Methadone confirmed with seven qualified fragments 52

53 Compound Confirmation-Alprazolam Untargeted Drug Screening in Postmortem Blood Red outline overlays theoretical isotopic pattern and abundance with acquired precursor data for alprazolam Alprazolam confirmed with two qualified fragments, despite low concentration 53

54 Accurate Mass LC/MS Application Kits Untargeted Screening with TOF or QTOF Pesticides Accurate Mass MS/MS Library LC Column Method LC/MS Application Kits On Site Training Standards -Test Mix: 253 compounds -DB: compounds -Library: 700+ compounds Veterinary Drugs -Test Mix: 148 compounds -DB: 900+ compounds -Library: 500+ compounds Forensic Toxicology -Test Mix: 139 compounds -DB: compounds -Library: compounds 54

55 MassHunter Software One software for all Agilent MS Systems Confidence in Quantification Rapid Review & Processing Low & High Resolution Data Diverse range of applications Confidence in Identification Sophisticated Compound Finding Algorithms Molecular Structure Determination Libraries and Databases Transforming Data into Information Analytical Studio Reviewer Mass Profiler Professional GeneSpring & Integrated Biology 55

56 MassHunter 64 Harness the Power of 64-bit Breaking the 32-bit barrier to provide improved performance for the most complex data sets Windows 7 64-bit and MassHunter 64 can utilize up to 192 GB of RAM Faster data processing Larger data sets with more samples and compounds 2 GB 6 GB (standard) Up to 24 GB optional Windows 7 Pro --MassHunter Qual B MassHunter Quant B MPP Spectrum Mill B

57 MassHunter Software One software for all Agilent Mass Specs Minimize the learning Single Control LC/MS GC/MS ICP-MS 57

58 MassHunter Data Analysis Software MassHunter data analysis modules have different functions: Quantitative (Quant): (Target Analysis - Quantitation) Review Batch results Visualize quality outliers Powerful quantitation engine Flexible result and report presentation Qualitative (Qual): (Discovery of non-target compounds or features, & Method Development) Finds compounds Identifies compounds Uses chromatogram and spectra extraction tools, i.e. deconvolution Searches MS and MS/MS Libraries 58

59 Sophisticated Compound Finding Tools Find by Formula Molecular Feature Maximum Entropy Deconvolution Chromatogram Deconvolution MRM Targeted MS/MS Auto MS/MS 59

60 Statistical Analysis: Mass Profiler Professional Designed for Mass Spectrometry data Import, store, and visualize LC/MS GC/MS ICP/MS Generic file format import Statistical analysis ANOVA, clustering, PCA, class prediction tools ID Browser for compound identification Pathway Architect for biological contextualization 60

61 Thanks for your attention! QUESTIONS?? 61

62 What is an Application kit An Application Kit contains the LC/MS methods, consumables, databases, and standards needed to quickly implement a particular application in your laboratory. 62 Confidentiality Label October 4, 2013

63 The Value of Application Kits Reduce the time required for system deployment Order Placement Sample Ready Order Fulfillment Standard Installation & Familiarization Customer Method Development and Validation End User Configured Agilent Method Development Order Fulfillment Application Deployment Customer Method Validation Application Kits Application checkout Customer Method Validation Faster, Easier Application Startup and a High Quality Method 63 Confidentiality Label October 4, 2013