UNIFI - Targeted and Untargeted Screening MS Software
|
|
- Christopher Evan Greene
- 5 years ago
- Views:
Transcription
1 UNIFI - Targeted and Untargeted Screening MS Software Dr David Hardy Senior Product Manager Mass Spectrometry Software 2011 Waters Corporation 1
2 Waters System Solutions - Available with UNIFI Biopharmaceutical An analytical platform for UPLC/MS biotherapeutic analysis Deployable across unregulated and GxP laboratories Regulated Bioanalysis The most sensitive LC/MS system Designed to meet the most challenging regulatory needs Workflow focused to provide maximum results Xevo G2 Tof (MS and MS E ) ACQUITY UPLC H-Class Bio and H-Class Variants Xevo TQ-S, Xevo TQ ACQUITY UPLC I-Class 2011 Waters Corporation 2
3 UNIFI Accurate Mass Screening The next phase of UNIFI will target accurate mass screening Forensic toxicology Food and environmental (pesticides) Objective Create an accurate mass screening solution for a routine environment o Better results (< FP, < FN) Requires improved peak detection Better use of confirmatory criteria Utilisation of MS E o Simplified workflow o Quantitative o Support for non/semi-targeted analysis 2011 Waters Corporation 3
4 Accurate Mass Screening A System Solution A complete system solution for accurate mass screening based upon: QuanTof MS analyser o Xevo G2 Tof o Xevo G2 QTof UPLC Technology o ACQUITY I-Class. o Separation chemistries UNIFI Application Software o Methods o Report templates and support 2011 Waters Corporation 4
5 Utilising the Component Approach 2011 Waters Corporation 6
6 What are components? Components are a way of simplifying and organising complex data into groups which relate to the same chemical entity Each component contains a wealth of analytical information: Mass, retention time, isotopic, fragments (MS E ), adducts, drift time, multiply charged, multimers and more. Components can be utilised for: Targeted analysis Non / semi-targeted analysis 2011 Waters Corporation 7
7 Peak Detection Algorithm Standardised on the Apex Peak detection algorithm How does it work? An 2Identify Compute nd real ideal Derivative peak -parameter centroid Find apex The same routine is applied in all available dimensions Peak detection will utilise all available CPUs GPU 2011 Waters Corporation 8
8 The Component Approach ID Mass RT Area Isotopes Fragments Adducts MS (Na) RT 1 (Na) UV I RT (Na) ELSD High Low m/z m/z I The components can now be analysed RT RT MS E The software organises the data across all channels Components Peak detection can span simplifies multiple channels the data of data into components 2011 Waters Corporation 9
9 Data Workflow Raw Data {Simplify} Peak Detection Peak List {Organise} Isotopes, adducts, fragments (MS E ), charge states, multimers Components {Analyse} Application Software 2011 Waters Corporation 10
10 Targeted Analysis 2011 Waters Corporation 11
11 Building the Questions When screening for a target the analyst is asking Does the data contain Compound X? With information from the UNIFI Scientific Library we can translate this in to: Can we find the precursor? o C 11 H 13 NO 4 o FW : Does the sample contain Compound X? At a retention time of 2.31 minutes? Can we find any confirmatory fragment information? o C 9 H 10 O 3 o FW : This can be expanded to include any other confirmatory conditions: Is there any isotopic evidence to confirm this identification? Can we compare against a library spectrum? 2011 Waters Corporation 12
12 Building the Questions When screening for a target the analyst is asking? Does the data contain Compound X? This can be expressed as a series of simple building blocks: Precursor Formula C 11 H 12 NO 4 and Retention Time 2.31 minutes and MS E Fragment C 9 H 10 O 3 with Isotopic Match Observed vs Theoretical Created to provide the maximum confidence in the identification of the target Can be run within a method or ad-hoc 2011 Waters Corporation 13
13 Example Accurate Mass Screening Accurate Mass Screening Components Data Targets Precursor Formula Exact Mass Scientific Library Target Library Adducts Biotransformations Instrumental Transformations Retention Time Unidentified Components MS E Fragments Exact Mass Identified Targets Discover (ad-hoc) Isotopic Filter Quantification 2011 Waters Corporation 14
14 Review Indentified Targets 2011 Waters Corporation 15
15 Review Identified Targets 2011 Waters Corporation 16
16 Built in Limits and Filters 2011 Waters Corporation 17
17 Built in Limits and Filters 2011 Waters Corporation 18
18 Built in Limits and Filters 2011 Waters Corporation 19
19 Target Quantitation 2011 Waters Corporation 20
20 Non / Semi-Targeted Analysis Unidentified Components Discover (ad-hoc) 2011 Waters Corporation 21
21 Target the unknown of interest Ad-hoc Analysis The examples so far have described a method based approach, but since we have the components we can ask questions in an ad-hoc fashion. For example: Which components contain chlorine? Which components contain an alkene loss? Or we could ask Which components contain chlorine AND an alkene loss? Components Data Ad-hoc Chlorine Filter (isotopic info) AND Alkane Filter (loss of 28) Filtered Components 2011 Waters Corporation 22
22 Neutral Loss and Fragment Filters - Target Structural Motifs 2011 Waters Corporation 23
23 Neutral Loss and Fragment Filters - Target Structural Motifs 2011 Waters Corporation 24
24 Identify the filtered unknown ChemSpider, MassFragment Waters Corporation 25
25 Retained MassLynx Usability 2011 Waters Corporation 26
26 Summary Applications toolset and tailored workflows An integrated system solution Acquires, analyzes, reports, and manages chromatography and mass spectrometry data in a single software platform Minimizes training required, improves data sharing Fresh, intuitive user interface Engineered simplicity Industry leading security and compliance readiness Ready for the regulated laboratory Scalable, open architecture A system solution that can grow as your needs grow 2011 Waters Corporation 27
27 Thank you 2011 Waters Corporation 28
FORENSIC TOXICOLOGY SCREENING APPLICATION SOLUTION
FORENSIC TOXICOLOGY SCREENING APPLICATION SOLUTION A purpose-built collection of the best-inclass components for forensic toxicology Whether you re challenged to present reliable and secure forensic sample
More informationQuantitation of High Resolution MS Data Using UNIFI: Acquiring and Processing Full Scan or Tof-MRM (Targeted HRMS) Datasets for Quantitative Assays
: Acquiring and Processing Full Scan or Tof-MRM (Targeted HRMS) Datasets for Quantitative Assays Mark Wrona, Jayne Kirk, and Yun Alelyunas Waters Corporation, Milford, MA, USA APPLICATION BENEFITS Ability
More informationSimplified Approaches to Impurity Identification using Accurate Mass UPLC/MS
Simplified Approaches to Impurity Identification using Accurate Mass UPLC/MS Marian Twohig, Michael D. Jones, Dominic Moore, Peter Lee, and Robert Plumb Waters Corporation, Milford, MA, USA APPLICATION
More informationMassHunter TOF/QTOF Users Meeting
MassHunter TOF/QTOF Users Meeting 1 Qualitative Analysis Workflows Workflows in Qualitative Analysis allow the user to only see and work with the areas and dialog boxes they need for their specific tasks
More informationA Workflow Approach for the Identification and Structural Elucidation of Impurities of Quetiapine Hemifumarate Drug Substance
A Workflow Approach for the Identification and Structural Elucidation of Impurities of Quetiapine Hemifumarate Drug Substance Michael D. Jones, Marian Twohig, Karen Haas, and Robert S. Plumb Waters Corporation,
More informationYun W. Alelyunas, Mark D. Wrona, Russell J. Mortishire-Smith, Nick Tomczyk, and Paul D. Rainville Waters Corporation, Milford, MA, USA INTRODUCTION
Quantitation by High Resolution Mass Spectrometry: Using Target Enhancement and Tof-MRM to Achieve Femtogram-level On-column Sensitivity for Quantitation of Drugs in Human Plasma Yun W. Alelyunas, Mark
More informationPesticideScreener. Innovation with Integrity. Comprehensive Pesticide Screening and Quantitation UHR-TOF MS
PesticideScreener Comprehensive Pesticide Screening and Quantitation Innovation with Integrity UHR-TOF MS The Challenge of Comprehensive Pesticide Residue Analysis The use of pesticides to reduce crop
More information[ xevo G2 tof ] Your Quantitative and Qualitative Questions Answered. Exactly.
[ xevo G2 tof ] Your Quantitative and Qualitative Questions Answered. Exactly. Xevo G2 Tof Quantitative and qualitative answers from a single analysis. For scientists who need to confidently identify and
More informationApplication Note. Authors. Abstract. Introduction. Environmental
Using a Chlorine Filter for Accurate-Mass Data Analysis of Environmental Samples Application Note Environmental Authors Imma Ferrer and E. Michael Thurman Center for Environmental Mass Spectrometry University
More informationMassHunter Software Overview
MassHunter Software Overview 1 Qualitative Analysis Workflows Workflows in Qualitative Analysis allow the user to only see and work with the areas and dialog boxes they need for their specific tasks A
More informationAll Ions MS/MS: Targeted Screening and Quantitation Using Agilent TOF and Q-TOF LC/MS Systems
All Ions MS/MS: Targeted Screening and Quantitation Using Agilent TOF and Q-TOF LC/MS Systems Technical Overview Introduction All Ions MS/MS is a technique that is available for Agilent high resolution
More information[ XEVO G2-XS QTOF ] EXTRAORDINARY POSSIBILITIES FOR YOUR EVERYDAY ANALYSIS
[ XEV G2-XS QTF ] EXTRARDIARY PSSIBILITIES FR YUR EVERYDAY AALYSIS EXTREME SESITIVITY, EXTRARDIARY SELECTIVITY, Whether you re a scientist who wants to truly understand your samples, or a lab manager with
More informationNatural Product Application Solution with UNIFI (NPAS)
Natural Product Application Solution with UNIFI (NPAS) Application Presentation Warren B Potts III Senior Director Americas Marketing warren_potts@waters.com 2017 Waters Corporation 1 Diverse World of
More informationA Rapid Approach to the Confirmation of Drug Metabolites in Preclinical and Clinical Bioanalysis Studies
A Rapid Approach to the Confirmation of Drug Metabolites in Preclinical and Clinical Bioanalysis Studies APPLICATION BENEFITS Regulatory guidelines and recommendations place a greater emphasis on the detection
More information[ FOOD SAFETY SOLUTIONS ] FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES
[ FOOD SAFETY SOLUTIONS ] FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES Growing Worldwide Concern The safety of our food supply can no longer be taken for granted. As the world changes and populations
More informationLirui Qiao, 1 Rob Lewis, 2 Alex Hooper, 2 James Morphet, 2 Xiaojie Tan, 1 Kate Yu 3
Using Natural Products Application Solution with UNIFI for the Comparison of the Chemical Ingredients of Shuanghuanglian Oral Drink from Two Different Manufacturers Lirui Qiao, 1 Rob Lewis, 2 Alex Hooper,
More informationSEAMLESS INTEGRATION OF MASS DETECTION INTO THE UV CHROMATOGRAPHIC WORKFLOW
SEAMLESS INTEGRATION OF MASS DETECTION INTO THE UV CHROMATOGRAPHIC WORKFLOW Paula Hong, John Van Antwerp, and Patricia McConville Waters Corporation, Milford, MA, USA Historically UV detection has been
More informationThermo Scientific Pesticide Explorer Collection. Start-to-finish. workflows for pesticide analysis
Thermo Scientific Pesticide Explorer Collection Start-to-finish workflows for pesticide analysis Comprehensive Pesticide Analysis Solutions Pesticide Explorer Collection Selection table Lab Profile Routine
More informationTargetScreener. Innovation with Integrity. A Comprehensive Screening Solution for Forensic Toxicology UHR-TOF MS
TargetScreener A Comprehensive Screening Solution for Forensic Toxicology Innovation with Integrity UHR-TOF MS TargetScreener Get the Complete Picture Forensic laboratories are frequently required to perform
More informationTraditional Herbal Medicine Structural Elucidation using SYNAPT HDMS
Traditional Herbal Medicine Structural Elucidation using SYNAPT HDMS with Time-Aligned Parallel (TAP) Fragmentation Kate Yu, Jose Castro-Perez, and John Shockcor Waters Corporation, Milford, MA, U.S. INTRODUCTION
More informationDie Nadel im Heuhaufen
Die Nadel im Heuhaufen Workflow zur Identifizierung unerwarteter Komponenten in LC Q-Tof Daten Umwelt & Lebensmittel Seminar Tour Andreas Reimann Produktspezialist LC-MS Agilent Technologies Instrumentation
More informationSimplified Workflow and Improved Confidence in Screening Methods on Time of Flight Mass Spectrometry
Simplified Workflow and Improved Confidence in Screening Methods on Time of Flight Mass Spectrometry Steve Preece MS Business Manager Waters Wilmslow 2016 Waters Corporation 1 Overview Use of high resolution
More informationOverview. Introduction. André Schreiber AB SCIEX Concord, Ontario (Canada)
Quantitation and Identification of Pharmaceuticals and Personal Care Products (PPCP) in Environmental Samples using Advanced TripleTOF MS/MS Technology André Schreiber AB SCIEX Concord, Ontario (Canada)
More informationAn Effective Workflow for Impurity Analysis Incorporating High Quality HRAM LCMS & MSMS with Intelligent Automated Data Mining
An Effective Workflow for Impurity Analysis Incorporating High Quality HRAM LCMS & MSMS with Intelligent Automated Data Mining Dave Weil, Ph.D. and Jim Lau, Ph.D. Typical Method Conditions: 1260 UHPLC
More informationTheory and Practical Consequences.
Theory and Practical Consequences. Number of hits depending on reachable mass accuracy 250 hits @ ±10 ppm 137 hits @ ±5 ppm 78 hits @ ±3 ppm 29 hits @ ±1 ppm 3 hits @ ±0.1 ppm 1 hit @ ± 0.05 ppm Intens.
More informationRapid and Accurate Forensics Analysis using High Resolution All Ions MS/MS
Rapid and Accurate Forensics Analysis using High Resolution All Ions MS/MS Application Note Forensic Toxicology Authors Martin Josefsson, and Markus Roman National Board of Forensic Medicine Linköping,
More informationSUSPECT AND NON-TARGET SCREENING OF ORGANIC MICROPOLLUTANTS IN WASTEWATER THROUGH THE DEVELOPMENT OF A LC-HRMS BASED WORKFLOW
SUSPECT AND NON-TARGET SCREENING OF ORGANIC MICROPOLLUTANTS IN WASTEWATER THROUGH THE DEVELOPMENT OF A LC-HRMS BASED WORKFLOW Pablo Gago-Ferrero Laboratory of Analytical Chemistry Department of Chemistry
More informationIdentification and Characterization of an Isolated Impurity Fraction: Analysis of an Unknown Degradant Found in Quetiapine Fumarate
Identification and Characterization of an Isolated Impurity Fraction: Analysis of an Unknown Degradant Found in Quetiapine Fumarate Michael D. Jones, Xiang Jin Song, Robert S. Plumb, Peter J. Lee, and
More informationMaking Sense of Differences in LCMS Data: Integrated Tools
Making Sense of Differences in LCMS Data: Integrated Tools David A. Weil Agilent Technologies MassHunter Overview Page 1 March 2008 How Clean is our Water?... Page 2 Chemical Residue Analysis.... From
More informationLC-HRMS: Challenges for Routine Implementation
Joint EURL pesticides meeting October 23 rd -25th, 2013 Almeria Spain LC-HRMS: Challenges for Routine Implementation Richard J. Fussell Food and Environment Research Agency (York, UK) www.fera.defra.gov.uk
More informationAgilent TOF Screening & Impurity Profiling Julie Cichelli, PhD LC/MS Small Molecule Workshop Dec 6, 2012
1 Agilent TOF Screening & Impurity Profiling Julie Cichelli, PhD LC/MS Small Molecule Workshop Dec 6, 2012 Review: Technology for Accurate Mass Analysis: TOF LC/MS Mass measurements accurate to several
More informationStephen McDonald and Mark D. Wrona Waters Corporation, Milford, MA, USA INT RO DU C T ION. Batch-from-Structure Analysis WAT E R S SO LU T IONS
Chemical Intelligence in UNIFI: Enhancing in-silico Decision Making to Provide Confident and Accurate Results for Metabolite Identification Experiments Stephen McDonald and Mark D. Wrona Waters Corporation,
More informationIdentifying Disinfection Byproducts in Treated Water
Identifying Disinfection Byproducts in Treated Water Jonathan D. Byer, LEC Corporation; Saint Joseph, Michigan USA Susan D. Richardson, University of South Carolina; Columbia, South Carolina USA 1. Introduction
More informationPerforming Peptide Bioanalysis Using High Resolution Mass Spectrometry with Target Enhancement MRM Acquisition
Performing Peptide Bioanalysis Using High Resolution Mass Spectrometry with Target Enhancement MRM Acquisition Yun Wang Alelyunas, Mark D. Wrona, and Nick Tomczyk Waters Corporation, Milford, MA, USA GOAL
More informationA Case of Pesticide Poisoning: The Use of a Broad-Scope Tof Screening Approach in Wildlife Protection
A Case of Pesticide Poisoning: The Use of a Broad-Scope Tof Screening Approach in Wildlife Protection George Keenan 1, Anna Giela 1, Michael Taylor 1, Jennifer Watson 1, Eleanor Riches 2, James Morphet
More informationApplying MRM Spectrum Mode and Library Searching for Enhanced Reporting Confidence in Routine Pesticide Residue Analysis
PO-CON1768E Applying MRM Spectrum Mode and Library Searching for Enhanced Reporting Confidence in Routine Pesticide ASMS 2017 TP-194 David Baker 1, Christopher Titman 1, Neil Loftus 1, Jonathan Horner
More informationA Strategy for an Unknown Screening Approach on Environmental Samples Using HRAM Mass Spectrometry
A Strategy for an Unknown Screening Approach on Environmental Samples Using HRAM Mass Spectrometry Olaf Scheibner, 1 Patrizia van Baar, 2 Florian Wode, 2 Uwe Dünnbier, 2 Kristi Akervik, 3 Jamie Humphrie,
More informationLive Webinar : How to be more Successful with your ACQUITY QDa Detector?
Live Webinar : How to be more Successful with your ACQUITY QDa Detector? Q&A Transcript ---------------- Q - How do you generate multiple charges reproductively? A - If you use the same settings on the
More informationDevelopment and application of methodology for designer drugs
Development and application of methodology for designer drugs Determination of synthetic cannabinoids in urine by UPLC-MS/MS Solfrid Hegstad The challenge of new designer drugs by LC-Q-TOF Wenche Rødseth
More information2010 Waters Corporation. Xevo TQ-S for Bioanalysis
Xevo TQ-S for Bioanalysis Key innovations High Performance Stepwave RADAR Scan Wave Versatility Ion Sources Simplicity of Operation Engineered Simplicity The Xevo TQ family Built on the same foundations
More informationWADA Technical Document TD2003IDCR
IDENTIFICATION CRITERIA FOR QUALITATIVE ASSAYS INCORPORATING CHROMATOGRAPHY AND MASS SPECTROMETRY The appropriate analytical characteristics must be documented for a particular assay. The Laboratory must
More informationAgilent ESI and APCI sources: for polar to non-polar compounds
1 Agilent 6400 Series Triple Quadrupole Users Workshop 1 Agilent ESI and APCI sources: for polar to non-polar compounds Nebulizer Pressure Corona current Nebulizer Pressure Vaporizer Vcap Vcap Drying Gas
More informationMetWorks Metabolite Identification Software
m a s s s p e c t r o m e t r y MetWorks Metabolite Identification Software Enabling Confident Analysis of Metabolism Data Part of Thermo Fisher Scientific MetWorks Software for the Confident Analysis
More informationUntargeted Screening on the X500R QTOF
Untargeted Screening on the X500R QTOF R. E. Haufler, Paul Winkler, Andrei Schreiber, SCIEX, Concord, ON Canada NEMC August 2016 RUO-MKT-11-4397 Outline X500R technology and performance X500R QTOF Scan
More informationA Strategy for an Unknown Screening Approach on Environmental Samples using HRAM Mass Spectrometry
A Strategy for an Unknown Screening Approach on Environmental Samples using HRAM Mass Spectrometry O. Scheibner, 1 P. van Baar, 2 F. Wode, 2 U. Dünnbier, 2 K. Akervik, 3 J. Humphries, 3 M. Bromirski 1
More informationmicrotof-q III Innovation with Integrity The bench-mark in accurate mass LC-MS/MS ESI-Qq-TOF
microtof-q III The bench-mark in accurate mass LC-MS/MS Innovation with Integrity ESI-Qq-TOF The Advantage of Confidence in Routine The microtof-q range is widely acknowledged in setting standards in performance
More informationNEW TOOLS FOR FINDING AND IDENTIFYING METABOLITES IN A METABOLOMICS WORKFLOW
NEW TOOLS FOR FINDING AND IDENTIFYING METABOLITES IN A METABOLOMICS WORKFLOW Julia E. Wingate 1 ; Elliott Jones 2 ; Armin Graber 3 ; Klaus Weinberger 3 1Applied Biosystems, Toronto, Canada; 2Applied Biosystems,
More informationAgilent MassHunter Profinder: Solving the Challenge of Isotopologue Extraction for Qualitative Flux Analysis
Agilent MassHunter Profinder: Solving the Challenge of Isotopologue Extraction for Qualitative Flux Analysis Technical Overview Introduction Metabolomics studies measure the relative abundance of metabolites
More informationAgilent MassHunter Quantitative Data Analysis
Agilent MassHunter Quantitative Data Analysis Presenters: Howard Sanford Stephen Harnos MassHunter Quantitation: Batch and Method Setup Outliers, Data Review, Reporting 1 MassHunter Quantitative Analysis
More informationIN QUALITATIVE ANALYSIS,
IN QUALITATIVE ANALYSIS, YOU VE ALWAYS HAD TO CHOOSE BETWEEN ACCURACY AND THROUGHPUT. NOW THERE S NO REASON TO ever have to. WATERS QUALITATIVE ANALYSIS solutions Waters ACQUITY UPLC System with the Waters
More informationElectron Transfer Dissociation of N-linked Glycopeptides from a Recombinant mab Using SYNAPT G2-S HDMS
Electron Transfer Dissociation of N-linked Glycopeptides from a Recombinant mab Using SYNAPT G2-S HDMS Jonathan P. Williams, Jeffery M. Brown, Stephane Houel, Ying Qing Yu, and Weibin Chen Waters Corporation,
More informationImprovIng ADmE ScrEEnIng productivity In Drug DIScovEry
Improving ADME Screening Productivity in Drug Discovery INTRODUCTION Improving the quality of the decisions made at the drug discovery stage can profoundly impact the efficiency of the drug discovery and
More informationCerno Application Note Extending the Limits of Mass Spectrometry
Confident Compound Identification with High Mass Accuracy and Elemental Composition Specific NIST Library Search Identification of unknown compounds by unit mass resolution GC-MS systems essentially relies
More informationAgilent MassHunter Quantitative Data Analysis
Agilent MassHunter Quantitative Data Analysis Presenters: Howard Sanford Stephen Harnos MassHunter Quantitation: Batch Table, Compound Information Setup, Calibration Curve and Globals Settings 1 MassHunter
More informationMetabolic Phenotyping Using Atmospheric Pressure Gas Chromatography-MS
Metabolic Phenotyping Using tmospheric Pressure Gas hromatography-ms Vladimir Shulaev, 2 Ghaste Manoj, 2,3 Steven Lai, 1 arolina Salazar, 2 Nobuhiro Suzuki, 2 Janna rossley, 2 Feroza Kaneez oudhury, 2
More informationRoutine MS Detection for USP Chromatographic Methods
Daniel S. Root, Thomas E. Wheat, and Patricia McConville Waters Corporation, Milford, MA, USA APPLICATION BENEFITS This approach enables mass spectral analysis of peaks directly from unmodified USP HPLC
More informationCompounding insights Thermo Scientific Compound Discoverer Software
Compounding insights Thermo Scientific Compound Discoverer Software Integrated, complete, toolset solves small-molecule analysis challenges Thermo Scientific Orbitrap mass spectrometers produce information-rich
More informationAnalysis of Serum 17-Hydroxyprogesterone, Androstenedione, and Cortisol by UPLC-MS/MS for Clinical Research
Analysis of Serum 17-Hydroxyprogesterone, Androstenedione, and Cortisol by UPLC-MS/MS for Clinical Research Heather A Brown, 1 Claudia Rossi, 2 and Lisa J Calton 1 1 Waters Corporation, Wilmslow, UK 2
More informationAgilent 6400 Series Triple Quadrupole Users Workshop. MH QQQ Users workshop 2/21/2014 1
Agilent 6400 Series Triple Quadrupole Users Workshop 1 Agilent 6400 Series Triple Quadrupole Users Workshop QQQ Method Development and Optimization MassHunter Quantitation: Batch and Method setup QC s,
More informationAgilent All Ions MS/MS
Agilent All Ions MS/MS Workflow Overview A Determine fragment ions for LC/MS Quant method B Develop final Quant method Develop LC/MS Qualitative Analysis method Process data with Find by Formula Build
More informationImproved Extraction of THC and its Metabolites from Oral Fluid Using Oasis PRiME HLB Solid Phase Extraction (SPE) and a UPLC CORTECS C 18
Using Oasis PRiME HLB Solid Phase Extraction (SPE) and a UPLC CORTECS C 18 Column Xin Zhang, Jonathan P. Danaceau, and Erin E. Chambers Waters Corporation, Milford, MA, USA APPLICATION BENEFITS Semi-validated
More informationMetabolomics in an Identity Crisis? Am I a Feature or a Compound? The world leader in serving science
Metabolomics in an Identity Crisis? Am I a Feature or a Compound? The world leader in serving science Agenda 1 2 3 Unknown Analysis in Metabolomics Determining Features and Compounds for Data Reduction
More informationprofileanalysis Innovation with Integrity Quickly pinpointing and identifying potential biomarkers in Proteomics and Metabolomics research
profileanalysis Quickly pinpointing and identifying potential biomarkers in Proteomics and Metabolomics research Innovation with Integrity Omics Research Biomarker Discovery Made Easy by ProfileAnalysis
More informationSTEM Research Literacy
STEM Research Literacy Are We Adequately Preparing Our STEM Graduates for Positions in Laboratory Research in Academia and Industry? Graeme Whitley Agenda What Prompted This? Wiley Science Solutions Wiley
More informationConformational Characterization of Calmodulin by Hydrogen Deuterium Exchange Mass Spectrometry
Conformational Characterization of Calmodulin by Hydrogen Deuterium Exchange Mass Spectrometry Joomi Ahn, Martha Stapels, Michael Eggertson, Keith Fadgen, and Ying Qing Yu Waters Corporation, Milford,
More informationRMassBank: Automatic Recalibration and Processing of Tandem HR-MS Spectra for MassBank
RMassBank: Automatic Recalibration and Processing of Tandem HR-MS Spectra for MassBank Eawag: Swiss Federal Institute of Aquatic Science and Technology Presenting: Emma Schymanski Coauthors: Michael Stravs,
More informationFUTURE CONFIRMATORY CRITERIA
FUTURE CONFIRMATORY CRITERIA Revision CD 2002/657 Marco Blokland, Bjorn Berendsen, Hans Mol, Leen van Ginkel, Saskia Sterk REVISION 2 Revision 2002/657 EU Commission has explicitly asked for a revision
More informationPowerful Scan Modes of QTRAP System Technology
Powerful Scan Modes of QTRAP System Technology Unique Hybrid Triple Quadrupole Linear Ion Trap Technology Provides Powerful Workflows to Answer Complex Questions with No Compromises While there are many
More informationWorkflow Using Hyphenated Mass Spectrometry Techniques
Pesticide Analysis Workflow Using Hyphenated Mass Spectrometry Techniques Chinkai (Kai) Meng, Ph.D. Senior Applications Chemist Wilmington, Delaware USA chin_meng@agilent.com com February 12, 2009 Page
More informationOnline Reaction Monitoring of In-Process Manufacturing Samples by UPLC
Online Reaction Monitoring of In- Manufacturing Samples by UPLC Tanya Tollifson Waters Corporation, Milford, MA, USA APPLICATION BENEFITS Better throughput, yield, and process understanding are possible
More informationApplication Note LCMS-116 What are we eating? MetaboScape Software; Enabling the De-replication and Identification of Unknowns in Food Metabolomics
Application Note LCMS-116 What are we eating? MetaboScape Software; Enabling the De-replication and Identification of Unknowns in Food Metabolomics Introduction Determining the structure of secondary metabolites
More informationConfirmation of In Vitro Nefazodone Metabolites using the Superior Fragmentation of the QTRAP 5500 LC/MS/MS System
Confirmation of In Vitro Nefazodone Metabolites using the Superior Fragmentation of the QTRAP 5500 LC/MS/MS System Claire Bramwell-German, Elliott Jones and Daniel Lebre AB SCIEX, Foster City, California
More informationThe new Water Screening PCDL
The new Water Screening PCDL Content and integration in suspect and non-target screening Dr. Thomas Glauner Senior LC/MS Applications Scientist EMEA Market Development Team 1 Accurate mass screening and
More informationPharmaceutical Impurity Identification and Profiling Using Agilent Q-TOF LC/MS Combined with Advanced MassHunter Data Processing Software
Pharmaceutical Impurity Identification and Profiling Using Agilent Q-TF LC/MS Combined with Advanced Massunter Data Processing Software Application Note Authors Siji Joseph Agilent Technologies LSCI Bangalore,
More informationOverview. Introduction. André Schreiber 1 and Yun Yun Zou 1 1 AB SCIEX, Concord, Ontario, Canada
LC-MS/MS Based Strategy for the Non-Targeted Screening of an Unlimited Number of Contaminants in Food Using the AB SCIEX TripleTOF 5600 System and Advanced Software Tools André Schreiber 1 and Yun Yun
More informationKey Features of Targeted Metabolite Screening. Using the TripleTOF System, an Accurate Mass Metabolite Spectral Library and MasterView Software
RUO-MKT-02-2201-A Automated Targeted Screening of Hundreds of Metabolites Using the TripleTOF System, an Accurate Mass Metabolite Spectral Library and MasterView Software Baljit K. Ubhi 1, Eva Duchoslav
More informationAgilent 6400 Series Triple Quadrupole LC/MS/MS Users Session
Agilent 6400 Series Triple Quadrupole LC/MS/MS Users Session QQQ Method Development and Optimization MassHunter Quant: Method setup Peak detection optimization Quant troubleshooting David Presser Application
More informationChemical Components Identification of Cistanche Deserticola Using the X500R QTOF System
Chemical Components Identification of Cistanche Deserticola Using the X500R QTOF System Li Yuejie, Cheng Haiyan, Liu Ting, Li Lijun, Jin Wenhai SCIEX, Asia Pacific Application Support Center (Shanghai),
More informationMulti-residue analysis of pesticides by GC-HRMS
An Executive Summary Multi-residue analysis of pesticides by GC-HRMS Dr. Hans Mol is senior scientist at RIKILT- Wageningen UR Introduction Regulatory authorities throughout the world set and enforce strict
More informationBenefits of Equipping your Lab with a Time-of-Flight Mass Spectrometer
Benefits of Equipping your Lab with a Time-of-Flight Mass Spectrometer Purchasing a mass spectrometer (MS) is an important investment for a laboratory. When considering instrument platforms, selection
More informationAnalysis of Synthetic Cannabinoids and Metabolites: Adding New Compounds to an Existing LC-MS/MS Method
Analysis of Synthetic Cannabinoids and Metabolites: Adding New Compounds to an Existing LC-MS/MS Method By Sharon Lupo and Frances Carroll Abstract The analysis of synthetic cannabinoids and their metabolites
More informationTOXICOLOGY & FORENSIC APPLICATIONS
TOXICOLOGY & FORENSIC APPLICATIONS New Developments of Confirmation Instruments Applications in the Poison Control Centre's Thermo Scientific Instrumentation & their integrated solution s specialize in
More informationSensitive and Repeatable Analysis of Pesticides in QuEChERS Extracts with APGC-MS/MS
Sensitive and Repeatable Analysis of Pesticides in QuEChERS Extracts with APGC-MS/MS Dominic Roberts, 1 Sara Stead, 1 and Jennifer A. Burgess 2 1 Waters Corporation, Manchester, UK 2 Waters Corporation,
More informationMetabolomics Batch Data Analysis Workflow to Characterize Differential Metabolites in Bacteria
Metabolomics Batch Data Analysis Workflow to Characterize Differential Metabolites in Bacteria Application Note Authors Yuqin Dai and Steven M. Fischer Agilent Technologies, Inc. Santa Clara, CA, USA Abstract
More informationImpurities Sources, Detection and Measurement HPLC-MS Analyses. Dr Courtney Milner Chemical Analysis
Impurities Sources, Detection and Measurement HPLC-MS Analyses Dr Courtney Milner Chemical Analysis Chemical Analysis Integrated Analytical Resource (Physical, Chemical and Microbiological) that has facilities
More informationWebinar: How to be More Successful with your ACQUITY QDa Detector Eric van Beelen
Webinar: How to be More Successful with your ACQUITY QDa Detector Eric van Beelen 2015 Waters Corporation 1 We are here to address any Questions you may have That s the benefit of participating to the
More informationApplication Note. David A. Weil Zoltan Timar Michael Zumwalt Edgar Naegele. Abstract
Detection and identification of impurities in pharmaceutical drugs Computer-assisted extraction, profiling and analysis of Q-TF data for determination of impurities using Agilent Massunter software Application
More informationAnalyte Targeting for NPS Identification in Seized Drugs and Toxicology
Analyte Targeting for NPS Identification in Seized Drugs and Toxicology Alex J. Krotulski, MS Research Scientist Center for Forensic Science Research & Education Background Explosion and expansion of NPS
More informationBruker Daltonics. microtof-q. Cutting Edge Performance with Sub-ppm Confidence. ESI-Qq TOF. think forward
Bruker Daltonics microtof-q Cutting Edge Performance with Sub-ppm Confidence think forward ESI-Qq TOF The advantage of ultimate confidence Do you need maximum confidence in your analytical system? Bruker
More informationAPPLICATION BENEFITS INTRODUCTION WATERS SOLUTIONS KEY WORDS. Simultaneous high-throughput screening of melamine (MEL) and cyanuric acid (CYA).
A Rapid and Sensitive Method for the Simultaneous Determination of and Cyanuric Acid in Infant Formulas, Adult utritional Products, and Protein Powders APPLICATIO BEEFITS Simultaneous high-throughput screening
More informationAnalytical Technologies and Compound Identification. Daniel L. Norwood, MSPH, PhD SCĪO Analytical Consulting, LLC.
Analytical Technologies and Compound Identification Daniel L. Norwood, MSPH, PhD SCĪ Analytical Consulting, LLC. Extractables/Leachables Characterization (USP) Characterization is the discovery,
More informationCertified Reference Material - Certificate of Analysis Methylone, Primary Standard
Certified Reference Material - Certificate of Analysis Methylone, Primary Standard Page 1 of 9 Catalog Number: O Lot: Expiration Date: Description: Packaging: Storage: Shipping: Intended Use: Instructions
More informationProtein Quantitation II: Multiple Reaction Monitoring. Kelly Ruggles New York University
Protein Quantitation II: Multiple Reaction Monitoring Kelly Ruggles kelly@fenyolab.org New York University Traditional Affinity-based proteomics Use antibodies to quantify proteins Western Blot RPPA Immunohistochemistry
More informationDIA-Umpire: comprehensive computational framework for data independent acquisition proteomics
DIA-Umpire: comprehensive computational framework for data independent acquisition proteomics Chih-Chiang Tsou 1,2, Dmitry Avtonomov 2, Brett Larsen 3, Monika Tucholska 3, Hyungwon Choi 4 Anne-Claude Gingras
More informationSIFT-MS. technology overview
SIFT-MS SELECTED ION FLOW TUBE MASS SPECTROMETRY technology overview contents 1. An overview of SIFT-MS 2. Principles of SIFT-MS a. Why chemical ionization? b. Why three reagent ions? c. How does SIFT-MS
More informationFrom accurate mass to identified water pollutants - non-target screening approaches using accurate mass, statistical analysis and compound libraries
Geosciences / Environmental Analytical Chemistry From accurate mass to identified water pollutants - non-target screening approaches using accurate mass, statistical analysis and compound libraries Christian
More informationSubstance Characterisation for REACH. Dr Emma Miller Senior Chemist
Substance Characterisation for REACH Dr Emma Miller Senior Chemist Submission of a REACH registration dossier, either as a lead registrant or a joint registrant Submission of an Inquiry to ECHA Submission
More informationAccelerate Unknown Detection in Emerging Drug Testing Using Thermo Scientific Compound Discoverer and mzcloud
Accelerate Unknown Detection in Emerging Drug Testing Using Thermo Scientific Compound Discoverer and mzcloud Ed Goucher ClinTox Marketing Manager Thermo Fisher Scientific v1 The world leader in serving
More informationTranslational Biomarker Core
Translational Biomarker Core Instrumentation Thermo Scientific TSQ Quantum Triple Quadrupole Mass Spectrometers. There are two TSQ Quantum Ultra AM instruments available in the TBC. The TSQ Quantum Ultra
More informationBIOLIGHT STUDIO IN ROUTINE UV/VIS SPECTROSCOPY
BIOLIGHT STUDIO IN ROUTINE UV/VIS SPECTROSCOPY UV/Vis Spectroscopy is a technique that is widely used to characterize, identify and quantify chemical compounds in all fields of analytical chemistry. The
More information