Characterization of an Unknown Compound Using the LTQ Orbitrap
|
|
- Lucy Austin
- 6 years ago
- Views:
Transcription
1 Characterization of an Unknown Compound Using the LTQ rbitrap Donald Daley, Russell Scammell, Argenta Discovery Limited, 8/9 Spire Green Centre, Flex Meadow, Harlow, Essex, CM19 5TR, UK bjectives unknown compound (compound X), compound X was provided and analyzed qualitatively and quantitatively. The following steps were taken to provide data: Accurately determine the mass of compound X and determine sum formulae proposals without any knowledge about the compound prior to mass analysis Exclude false positive hits by comparing the proposed sum formulae to the theoretical isotope patterns without any knowledge about the compound prior to mass analysis equivalent value (RDB equivalent value) by MS/MS using CID and HCD by gaining structural information Carry out a quantitative analysis by means of dilution series of compound X. The study follows an analytical approach in which the compound was unknown in the beginning; subsequently it column. Introduction As a drug, the quaternary ammonium salt Tiotropium is used to prevent wheezing, shortness of breath, and pulmonary disease (CPD, a group of diseases that affect the lungs and airways) such as chronic bronchitis (swelling of the air passages that lead to the lungs) and emphysema (damage to air sacs in the lungs). CPD is considered to be killers after heart attack, stroke, cancer, and Alzheimer's Disease. Tiotropium belongs to a class of medications called bronchodilators which works by relaxing and opening the air passages to the lungs to make breathing easier. For further information please see: uginfo/ medmaster/a html The pre-charged status of this compound makes it source-, ph-, and ionization yield- independent and is therefore a ideal candidate to study analyzer performances. Methods LC-ESI-MS and MS/MS Liquid chromatography-electrospray ionization (LC-ESI) mass spectrometry and tandem mass spectrometry in combination with high resolving power and accurate mass rbitrap system, a hybrid mass spectrometer consisting of a linear ion trap coupled to an rbitrap mass analyzer, is used as mass spectrometer. For quantitative analyses a stock solution was was prepared in 95 / 5 water / acetonitrile containing 0.1% formic acid. This solution was used to prepare a dilution Surveyor Hypersil GLD 2.1 mm column, 50 mm length, 1.9 µm dilution experiments. A 20 µl full loop injection and the below given gradient were applied to quantitative experiments. Time A% B% µl/min Table 1: LC gradient. MS Methods for Quantitative Experiments Targeted MS/MS rbitrap detection FTMS p norm res = 15, CID Collision Energy 35.0% Q 0.25 Time 30.0 ms IsoW 3.0 u Targeted MS/MS Ion Trap detection ITMS p norm CID Collision Energy 35.0% Q 0.25 Time 30.0 ms IsoW 3.0 u 284
2 Qualitative Results A Surveyor MS Pump HPLC system with Micro AS autosampler was used for the analyses. The previous given experiments shown. For qualitative results either direct infusion or injection via the autosampler was chosen. A typical qualitative experiment performed is illustrated in Figure 1. The inset into the base peak chromatogram in Figure 1 shows the reproducibility of mass measurements over the LC peak. More than 20 mass measurements can be performed over the LC peak. This structure is imported into Mass Frontier MS/MS data (CID and HCD) obtained from compound X. This is shown in Figure 5. Collision Induced Dissociation (CID) Figure 5a: m/z 392 using Collision Induced Dissociation (CID) was a fragmentation techniques detected in the rb itrap analyzer. The accurately determined m/z 152 and m/z 170, respectively, come up with a single sum formula proposal each. The labeling of proposed structures was done using Mass Frontier. Higher Energy Collision- Trap Dissociation (HCD) Figure 5b: m/z 392 using Higher Energy Collision-Trap Dissociation (HCD) as a fragmentation techniques detected in the rbitrap analyzer. The accurately determined m/z 152 and m/z 170, respectively, come up with a single sum formula proposal each. In the mass range below m/z 150 some more fragments are observed that can be assigned by sum formulae unambiguously. Labeling of proposed structures was done by Mass Frontier. Figure 1: Base peak chromatogram of a 1 pg/µl solution. Sum Formula Proposals by means of Accurate Mass Measurement, RDBE and Isotope Pattern Evaluation Compound X was measured at RP m/z 400 in order to resolve potential sulfur(s). An inset into a full scan is given in Figure 2. The inset at m/z 394 reveals the existence of sulfur (S). The sum formula proposals for m/z 392 is taking C, H,, and up to 2 S in a ± 5 ppm tolerance window into account. For elemental constraints see Table 2. Assuming the ion observed at m/z 392 is an MH ion, as this is typical for ESI, RDBE values can only be x.5 for a singly charged ion, as displayed in Table 3. These seven proposals are simulated and compared to the Sum formula proposals with RDBE values x.5 according to Figure 1 (bottom) simulated with resolution 135,000 at FWHM. Sum formula proposals with elemental constraints according to Table 2 are simulated with resolution 135,000 at FWHM. Proposals without S can be excluded ( 32 S and 34 S are responsible for splitting the signals starting with the A2 ion) right away, as proposals with a single S can be excluded (see A3 ion, A4 ion) by comparing to the raw data information. The comparison reveals that the correct sum formula of compound X as an MH ion is C 19 H S 2. A search for the structure of compound X and its name in a database by use of the previously determined sum formula C 19 H 22 4 S 2 was carried out. A search against reveals Tiotropium as the only hit which exists as a bromide salt at molecular weight (Figure 4). Figure 2: A mass spectrum of the region of interest m/z with an inset of m/z 394. Isotop e Min Max RDB equi v. Mass C H S Table 2: Elements in use. m/z Theo. Mass Delta (ppm) RDB equi v. Composition C 18 H C 11 H S C 10 H S C 19 H S C 23 H S C 19 H C 15 H S 2 Table 3: Elemental composition applying the nitrogen rule. 285
3 Figure 3: All seven proposals vs. raw data information. Inset into full isotope pattern (left); insets into the A1, A2, A3 and A4 ion (right). Figure 4: Search for the structure of compound X. Tiotropium is the only hit with sum formula C 19 H S 2 of double bonds / unpaired electron pairs given for this sum formula in Table 3, RDB equiv. =
4 FTMS p ESI Full ms @cid35.00 [ ] C 9 H RDBE -3.2 ppm C 9 H RDBE -2.6 ppm H S H S m/z i S H S m/z rh R m/z Proposed fragmentation pathway for fragment ion m/z m/z Figure 5a: m/z 392 using Collision Induced Dissociation (CID) as a fragmentation techniques detected in the rbitrap analyzer. FTMS p ESI Full ms @hcd [ ] C 6 H RDBE -3.4 ppm C 7 H ppm -3.5 ppm H C 6 H RDBE -3.1 ppm C 8 H RDBE -2.8 ppm C 9 H RDBE -2.9 ppm C 9 H RDBE -2.7 ppm C 9 H C19 H S RDBE ppm 9.5 RDBE -1.0 ppm H m/z m/z Figure 5b: m/z 392 using Higher Energy C-Trap Dissociation (HCD) as a fragmentation techniques detected in the rbitrap analyzer. 287
5 Quantitative Results The dilution series applying two different targeted MS/MS methods was carried out. Results of three data sets are shown in Figure 6a for targeted MS/MS and rbitrap detection. The calibration graph on the right gives an overview over all measurement points (10 fg/µl to 10 pg/µl). The inset (in blue) shows the calibration graph between 10 fg/µl (200 fg on column) and 100 fg/µl (2 pg on column) in detail. For details on the graph also see the table displayed in Figure 6b. Results for targeted MS/MS and ion trap detection is shown in Figure 7. Retrieval from 3 data sets Figure 6a: Dilution series applying a targeted MS/MS method, results of three data sets. Targeted MS/MS rbitrap detection, FTMS p norm res = 15,000/7,500, CID Collision Energy 35.0% Q 0.25 Time 30.0 ms IsoW 3.0 u. Figure 6b: Result table in detail for the three data sets from Figure 6a. Figure 7: Quantitation results for targeted MS/MS method, results of a single data sets. Targeted MS/MS ion trap detection, ITMS p norm, CID Collision Energy 35.0% Q 0.25 Time 30.0 ms IsoW 3.0 u. 288
6 Conclusions An accurate mass measurement of compound X combined with RDBE evaluation and isotope pattern recognition revealed a sum formula C 19 H S 2 for compound X. An Internet accessible database search using the previously determined sum formula revealed Tiotropium as single hit. MS/MS information obtained by Collision Induced Dissociation (CID) and Higher Energy C-trap Dissociation (HCD) combined with the fragmentation Tiotropium. CID and HCD fragments are assigned by Mass Frontier. A dilution series - applying a targeted m/z 392 method detecting the fragments at m/z 152 and m/z 170, respectively, in the ion trap or the rbitrap analyzer - revealed that reliable calibration curves can be acquired down to total column load of 200 fg of Tiotropium. This is equivalent to a 20 µl full loop load of 10 fg/µl solution of Tiotropium. 289
7 290
8 291
9 292
10 293
MS/MS as an LC Detector for the Screening of Drugs and Their Metabolites in Race Horse Urine
Application Note: 346 MS/MS as an LC Detector for the Screening of Drugs and Their Metabolites in Race Horse Urine Gargi Choudhary and Diane Cho, Thermo Fisher Scientific, San Jose, CA Wayne Skinner and
More informationApplication of LC/Electrospray Ion Trap Mass Spectrometry for Identification and Quantification of Pesticides in Complex Matrices
Application ote #LCMS-2 esquire series Application of LC/Electrospray Ion Trap Mass Spectrometry for Identification and Quantification of Pesticides in Complex Matrices Introduction The simple monitoring
More informationBioanalytical Quantitation of Biotherapeutics Using Intact Protein vs. Proteolytic Peptides by LC-HR/AM on a Q Exactive MS
Bioanalytical Quantitation of Biotherapeutics Using Intact Protein vs. Proteolytic Peptides by LC-HR/AM on a Q Exactive MS Jenny Chen, Hongxia Wang, Zhiqi Hao, Patrick Bennett, and Greg Kilby Thermo Fisher
More informationQuantitative Analysis of Vit D Metabolites in Human Plasma using Exactive System
Quantitative Analysis of Vit D Metabolites in Human Plasma using Exactive System Marta Kozak Clinical Research Applications Group Thermo Fisher Scientific San Jose CA Clinical Research use only, Not for
More informationNew Solvent Grade Targeted for Trace Analysis by UHPLC-MS
New Solvent Grade Targeted for Trace Analysis by UHPLC-MS Subhra Bhattacharya, Deva H. Puranam, and Stephen C. Roemer Thermo Fisher Scientific Fisher Chemical, One Reagent Lane, Fair Lawn, NJ Material
More informationUsing Multiple Mass Defect Filters and Higher Energy Collisional Dissociation on an LTQ Orbitrap XL for Fast, Sensitive and Accurate Metabolite ID
Application ote: 417 Using Multiple Mass Defect Filters and Higher Energy Collisional Dissociation on an LTQ rbitrap XL for Fast, Sensitive and Accurate Metabolite ID Yingying Huang 1, Shirley Liu 2, Shichang
More informationDon t miss a thing on your peptide mapping journey How to get full coverage peptide maps using high resolution accurate mass spectrometry
Don t miss a thing on your peptide mapping journey How to get full coverage peptide maps using high resolution accurate mass spectrometry Kai Scheffler, PhD BioPharma Support Expert,LSMS Europe The world
More informationUsing Software Tools to Improve the Detection of Impurities by LC/MS. Application Note. Christine Miller Agilent Technologies.
Using Software Tools to Improve the Detection of Impurities Application Note Christine Miller Introduction The analysis of raw materials and finished products for or impurities presents a challenge in
More informationSWATH Acquisition Enables the Ultra-Fast and Accurate Determination of Novel Synthetic Opioids
SWATH Acquisition Enables the Ultra-Fast and Accurate Determination of Novel Synthetic Opioids Data Independent Acquisition on TripleTOF and X-Series QTOF Systems for Seized Drug Analysis Oscar G. Cabrices
More informationShotgun Proteomics MS/MS. Protein Mixture. proteolysis. Peptide Mixture. Time. Abundance. Abundance. m/z. Abundance. m/z 2. Abundance.
Abundance Abundance Abundance Abundance Abundance Shotgun Proteomics Protein Mixture 1 2 3 MS/MS proteolysis m/z 2 3 Time µlc m/z MS 1 m/z Peptide Mixture m/z Block Diagram of a Mass Spectrometer Sample
More informationProteomics of body liquids as a source for potential methods for medical diagnostics Prof. Dr. Evgeny Nikolaev
Proteomics of body liquids as a source for potential methods for medical diagnostics Prof. Dr. Evgeny Nikolaev Institute for Biochemical Physics, Rus. Acad. Sci., Moscow, Russia. Institute for Energy Problems
More informationO O H. Robert S. Plumb and Paul D. Rainville Waters Corporation, Milford, MA, U.S. INTRODUCTION EXPERIMENTAL. LC /MS conditions
Simplifying Qual/Quan Analysis in Discovery DMPK using UPLC and Xevo TQ MS Robert S. Plumb and Paul D. Rainville Waters Corporation, Milford, MA, U.S. INTRODUCTION The determination of the drug metabolism
More informationQuantitative Analysis of Drugs of Abuse in Urine using UHPLC Coupled to Accurate Mass AxION 2 TOF Mass Spectrometer
application Note Liquid Chromatography/ Mass Spectrometry Authors Sharanya Reddy Blas Cerda PerkinElmer, Inc. Shelton, CT USA Quantitative Analysis of Drugs of Abuse in Urine using UHPLC Coupled to Accurate
More informationImproving Selectivity in Quantitative Analysis Using MS 3 on a Hybrid Quadrupole-Linear Ion Trap Mass Spectrometer
Improving Selectivity in Quantitative Analysis Using MS 3 on a Hybrid Quadrupole-Linear Ion Trap Mass Spectrometer Overview Increased selectivity is achieved in quantitative analysis by using MS 3. The
More informationAdvances in Hybrid Mass Spectrometry
The world leader in serving science Advances in Hybrid Mass Spectrometry ESAC 2008 Claire Dauly Field Marketing Specialist, Proteomics New hybrids instruments LTQ Orbitrap XL with ETD MALDI LTQ Orbitrap
More informationNeosolaniol. [Methods listed in the Feed Analysis Standards]
Neosolaniol [Methods listed in the Feed Analysis Standards] 1 Simultaneous analysis of mycotoxins by liquid chromatography/ tandem mass spectrometry [Feed Analysis Standards, Chapter 5, Section 1 9.1 ]
More informationA NOVEL METHOD OF M/Z DRIFT CORRECTION FOR OA-TOF MASS SPECTROMETERS BASED ON CONSTRUCTION OF LIBRARIES OF MATRIX COMPONENTS.
A NOVEL METHOD OF M/Z DRIFT CORRECTION FOR OA-TOF MASS SPECTROMETERS BASED ON CONSTRUCTION OF LIBRARIES OF MATRIX COMPONENTS. Martin R Green*, Keith Richardson, John Chipperfield, Nick Tomczyk, Martin
More informationSimple Method (IS-MRM) to Monitor Lysophospholipids and Phospholipids During LC-MS Method Development via In-Source CID
Simple Method (IS-MRM) to Monitor Lysophospholipids and Phospholipids During LC-MS Method Development via In-Source CID James Little, Eastman Chemical Company, Kingsport, TN Overview Phospholipids and
More informationIncreased Identification Coverage and Throughput for Complex Lipidomes
Increased Identification Coverage and Throughput for Complex Lipidomes Reiko Kiyonami, David Peake, Yingying Huang, Thermo Fisher Scientific, San Jose, CA USA Application Note 607 Key Words Q Exactive
More informationAnalysis of Choline and its Metabolites on the Finnigan LTQ
Analysis of Choline and its Metabolites on the Finnigan LTQ Gargi Choudhary Diane Cho Thermo Electron, San Jose, CA Abstracted from a poster presented at Montreux 3 LC/MS Symposium, with co-authors: Brad
More informationSupporting information
Supporting information Figure legends Supplementary Table 1. Specific product ions obtained from fragmentation of lithium adducts in the positive ion mode comparing the different positional isomers of
More informationMore structural information with MS n
PRODUCT SPECIFICATIONS The LTQ XL linear ion trap mass spectrometer More structural information with MS n The LTQ XL linear ion trap mass spectrometer delivers more structural information faster and with
More informationRapid, Simple Impurity Characterization with the Xevo TQ Mass Spectrometer
Robert Plumb, Michael D. Jones, and Marian Twohig Waters Corporation, Milford, MA, USA INTRODUCTION The detection and characterization of impurities and degradation products of an active pharmaceutical
More informationapplication Natural Food Colorants Analysis of Natural Food Colorants by Electrospray and Atmospheric Pressure Chemical Ionization LC/MS
application LC/MS Natural Food Colorants Analysis of Natural Food Colorants by Electrospray and Atmospheric Pressure Chemical Ionization LC/MS Introduction Many kinds of natural colors are used in beverages,
More informationImpurity Identification using a Quadrupole - Time of Flight Mass Spectrometer QTOF
Impurity Identification using a Quadrupole - Time of Flight Mass Spectrometer QTOF PUSHER TOF DETECTOR ZSPRAY TM Ion Source SAMPLING CONE SKIMMER RF HEXAPOLE RF HEXAPOLE QUADRUPOLE IN NARROW BANDPASS MODE
More informationIdentification and Quantitation of Microcystins by Targeted Full-Scan LC-MS/MS
Identification and Quantitation of Microcystins by Targeted Full-Scan LC-MS/MS Terry Zhang, Reiko Kiyonami, Leo Wang and Guifeng Jiang Thermo Fisher Scientific, San Jose, CA, USA Application Note 569 Key
More informationComprehensive Two-Dimensional HPLC and Informative Data Processing for Pharmaceuticals and Lipids
PO-CON1576E Comprehensive Two-Dimensional HPLC and Informative Data Processing for Pharmaceuticals and Lipids HPLC 2015 PSB-MULTI-06 Yoshiyuki WATABE, Tetsuo IIDA, Daisuke NAKAYAMA, Kanya TSUJII, Saki
More informationDetermination of 6-Chloropicolinic Acid (6-CPA) in Crops by Liquid Chromatography with Tandem Mass Spectrometry Detection. EPL-BAS Method No.
Page 1 of 10 Determination of 6-Chloropicolinic Acid (6-CPA) in Crops by Liquid Chromatography with Tandem Mass Spectrometry Detection EPL-BAS Method No. 205G881B Method Summary: Residues of 6-CPA are
More information2. Ionization Sources 3. Mass Analyzers 4. Tandem Mass Spectrometry
Dr. Sanjeeva Srivastava 1. Fundamental of Mass Spectrometry Role of MS and basic concepts 2. Ionization Sources 3. Mass Analyzers 4. Tandem Mass Spectrometry 2 1 MS basic concepts Mass spectrometry - technique
More informationApplication of a new capillary HPLC- ICP-MS interface to the identification of selenium-containing proteins in selenized yeast
Application of a new capillary HPLC- ICP-MS interface to the identification of selenium-containing proteins in selenized yeast Application note Food supplements Authors Juliusz Bianga and Joanna Szpunar
More informationPTM Discovery Method for Automated Identification and Sequencing of Phosphopeptides Using the Q TRAP LC/MS/MS System
Application Note LC/MS PTM Discovery Method for Automated Identification and Sequencing of Phosphopeptides Using the Q TRAP LC/MS/MS System Purpose This application note describes an automated workflow
More informationHigh-throughput lipidomic analysis of fatty acid derived eicosanoids and N-acylethanolamines
High-throughput lipidomic analysis of fatty acid derived eicosanoids and N-acylethanolamines Darren S. Dumlao, Matthew W. Buczynski, Paul C. Norris, Richard Harkewicz and Edward A. Dennis. Biochimica et
More informationSue D Antonio Application Chemist Cedar Creek, TX
Sue D Antonio Application Chemist Cedar Creek, TX What is Hemp Oil? CBD hemp oil is a natural botanical extract of the common hemp plant. CBD hemp oil is derived from the seeds and stem of the Cannabis
More informationIdentification of Haemoglobinopathies by LC/MS
Identification of Haemoglobinopathies by LC/ Mark Harrison; Senior Scientist, ThermoFisher Scientific Sarah Battle; Senior Biomedical Scientist, Royal Hallamshire Hospital Introduction There are over 2
More informationOMCL Network of the Council of Europe QUALITY MANAGEMENT DOCUMENT
OMCL Network of the Council of Europe QUALITY MANAGEMENT DOCUMENT PA/PH/OMCL (10) 86 2R QUALIFICATION OF EQUIPMENT ANNEX 7: QUALIFICATION OF MASS SPECTROMETERS Full document title and reference Document
More informationLC-MS/MS Method for the Determination of Tenofovir from Plasma
LC-MS/MS Method for the Determination of Tenofovir from Plasma Kimberly Phipps, Thermo Fisher Scientific, Runcorn, Cheshire, UK Application Note 687 Key Words SPE, SOLA CX, Hypersil GOLD, tenofovir Abstract
More informationPhospholipid characterization by a TQ-MS data based identification scheme
P-CN1716E Phospholipid characterization by a TQ-MS data based identification scheme ASMS 2017 MP-406 Tsuyoshi Nakanishi 1, Masaki Yamada 1, Ningombam Sanjib Meitei 2, 3 1 Shimadzu Corporation, Kyoto, Japan,
More informationVitamin D3 and related compounds by ESI and APCI
Liquid Chromatography Mass Spectrometry SSI-LCMS-9 Vitamin D and related compounds by ESI and APCI LCMS-8 Summary Vitamin D and related compounds were measured by LC-ESI/APCI-MS-MS. Background Accurate
More informationUPLC/MS Monitoring of Water-Soluble Vitamin Bs in Cell Culture Media in Minutes
UPLC/MS Monitoring of Water-Soluble Vitamin Bs in Cell Culture Media in Minutes Catalin E. Doneanu, Weibin Chen, and Jeffrey R. Mazzeo Waters Corporation, Milford, MA, U.S. A P P L I C AT ION B E N E F
More informationIon Source. Mass Analyzer. Detector. intensity. mass/charge
Proteomics Informatics Overview of spectrometry (Week 2) Ion Source Analyzer Detector Peptide Fragmentation Ion Source Analyzer 1 Fragmentation Analyzer 2 Detector b y Liquid Chromatography (LC)-MS/MS
More informationSYNAPT G2-S High Definition MS (HDMS) System
SYNAPT G2-S High Definition MS (HDMS) System High performance, versatility, and workflow efficiency of your MS system all play a crucial role in your ability to successfully reach your scientific and business
More informationSample Concentration and Analysis of Human Hormones in Drinking Water
Sample Concentration and Analysis of Human Hormones in Drinking Water Carl Fisher Applications Chemist Ion Chromatography/Sample Preparation Thermo Fisher Scientific March 1, 215 1 The world leader in
More informationDetermination of Amantadine Residues in Chicken by LCMS-8040
Liquid Chromatography Mass Spectrometry Determination of Amantadine Residues in Chicken by LCMS-8040 A method for the determination of amantadine in chicken was established using Shimadzu Triple Quadrupole
More informationNIH Public Access Author Manuscript J Proteome Res. Author manuscript; available in PMC 2014 July 05.
NIH Public Access Author Manuscript Published in final edited form as: J Proteome Res. 2013 July 5; 12(7): 3071 3086. doi:10.1021/pr3011588. Evaluation and Optimization of Mass Spectrometric Settings during
More informationUltra Performance Liquid Chromatography Coupled to Orthogonal Quadrupole TOF MS(MS) for Metabolite Identification
22 SEPARATION SCIENCE REDEFINED MAY 2005 Ultra Performance Liquid Chromatography Coupled to Orthogonal Quadrupole TOF MS(MS) for Metabolite Identification In the drug discovery process the detection and
More informationQualitative and quantitative determination of cannabinoid profiles and potency in CBD hemp oil using LC/UV and Mass Selective Detection
Application Note Cannabis Qualitative and quantitative determination of cannabinoid profiles and potency in CBD hemp oil using LC/UV and Mass Selective Detection Authors Mike Adams, Annette Roth, Sue D
More informationApplying a Novel Glycan Tagging Reagent, RapiFluor-MS, and an Integrated UPLC-FLR/QTof MS System for Low Abundant N-Glycan Analysis
Applying a Novel Glycan Tagging Reagent, RapiFluor-MS, and an Integrated UPLC-FLR/QTof MS System for Low Abundant N-Glycan Analysis Ying Qing Yu Waters Corporation, Milford, MA, USA APPLICATION BENEFITS
More informationNew Mass Spectrometry Tools to Transform Metabolomics and Lipidomics
New Mass Spectrometry Tools to Transform Metabolomics and Lipidomics July.3.13 Ken Miller Vice President of Marketing, Life Sciences Mass Spectrometry 1 The world leader in serving science Omics & the
More informationGlycerolipid Analysis. LC/MS/MS Analytical Services
Glycerolipid Analysis LC/MS/MS Analytical Services Molecular Characterization and Quantitation of Glycerophospholipids in Commercial Lecithins by High Performance Liquid Chromatography with Mass Spectrometric
More informationTime (min) Supplementary Figure 1: Gas decomposition products of irradiated DMC.
200000 C 2 CH 3 CH 3 DMC 180000 160000 140000 Intensity 120000 100000 80000 60000 40000 C 2 H 6 CH 3 CH 2 CH 3 CH 3 CCH 3 EMC DEC 20000 C 3 H 8 HCCH 3 5 10 15 20 25 Time (min) Supplementary Figure 1: Gas
More informationQuantitative Analysis of Opiates in Urine Using RRHT LC/MS/MS. Application. Authors. Introduction. Abstract. Forensics
Quantitative Analysis of piates in Urine Using RRHT LC/MS/MS Application Forensics Authors Sheher Mohsin Agilent Technologies, Inc. 10 N. Martingale Rd., Suite 550 Schaumburg, IL 60173 USA Yanan Yang Agilent
More informationCharacterization of Disulfide Linkages in Proteins by 193 nm Ultraviolet Photodissociation (UVPD) Mass Spectrometry. Supporting Information
Characterization of Disulfide Linkages in Proteins by 193 nm Ultraviolet Photodissociation (UVPD) Mass Spectrometry M. Montana Quick, Christopher M. Crittenden, Jake A. Rosenberg, and Jennifer S. Brodbelt
More informationSPE-LC-MS/MS Method for the Determination of Nicotine, Cotinine, and Trans-3-hydroxycotinine in Urine
SPE-LC-MS/MS Method for the Determination of Nicotine, Cotinine, and Trans-3-hydroxycotinine in Urine J. Jones, Thermo Fisher Scientific, Runcorn, Cheshire, UK Application Note 709 Key Words SPE, SOLA
More informationPHOTOCATALYTIC DECONTAMINATION OF CHLORANTRANILIPROLE RESIDUES IN WATER USING ZnO NANOPARTICLES. DR. A. RAMESH, Ph.D, D.Sc.,
PHOTOCATALYTIC DECONTAMINATION OF CHLORANTRANILIPROLE RESIDUES IN WATER USING ZnO NANOPARTICLES DR. A. RAMESH, Ph.D, D.Sc., raamesh_a@yahoo.co.in 1 OBJECTIVES Determination of persistence and photolysis
More informationAuthors. Abstract. Introduction. Environmental
Determination of Ultratrace Amitrol in Water Samples by in situ Derivatization-Solid Phase Extraction-Liquid Chromatography-Mass Selective Detector Application Environmental Authors Gerd Vanhoenacker,
More informationEdgar Naegele. Abstract
Simultaneous determination of metabolic stability and identification of buspirone metabolites using multiple column fast LC/TOF mass spectrometry Application ote Edgar aegele Abstract A recent trend in
More information[ APPLICATION NOTE ] APPLICATION BENEFITS INTRODUCTION WATERS SOLUTIONS KEYWORDS
[ APPLICATI TE ] Ion Mobility-enabled Data-dependent Experiments Distinguishing Co-eluting Isomeric Metabolites Using an IMS-QTof Mass Spectrometer Jayne Kirk, 1 Russell Mortishire Smith, 1 Robert Beecher,
More informationThe Comparison of High Resolution MS with Triple Quadrupole MS for the Analysis of Oligonucleotides
The Comparison of High Resolution MS with Triple Quadrupole MS for the Analysis of Oligonucleotides Mohammed Abrar Unilabs York Bioanalytical Solutions Outline Introduction Why LC-MS/MS? Limitations of
More informationSingle Quadrupole Compact Mass Spectrometer for Liquid Sample
Single Quadrupole Compact Mass Spectrometer for Liquid Sample YL INSTRUMENT CO., LTD. YL9900 MS quickly provides essential information and improves the chemist's workflow. Mordern organic labs have become
More informationMass Spectrometry at the Laboratory of Food Chemistry. Edwin Bakx Laboratory of Food Chemistry Wageningen University
Mass Spectrometry at the Wageningen University Mass Spectrometry at the 3 UPLC/CE - ESI - Ion trap MS systems UPLC Thermo Acella with a Velos or VelosPro CE Beckman PA800 with a Thermo VelosPro 1 UPLC-
More informationMass-Based Purification of Natural Product Impurities Using an Agilent 1260 Infinity II Preparative LC/MSD System
Application Note Food Testing and Agriculture Mass-Based Purification of Natural Product Impurities Using an Agilent 126 Infinity II Preparative LC/MSD System Authors Florian Rieck and Jörg Hippler Agilent
More informationTitle: Pharmacokinetics of daikenchuto, a traditional Japanese medicine (Kampo) after. single oral administration to healthy Japanese volunteers
Title: Pharmacokinetics of daikenchuto, a traditional Japanese medicine (Kampo) after single oral administration to healthy Japanese volunteers Authors: Masaya Munekage, Hiroyuki Kitagawa, Kengo Ichikawa,
More informationDesigner Cannabinoids
Liquid Chromatography Mass Spectrometry SSI-LCMS-010 Designer Cannabinoids LCMS-8030 Summary A rapid LC-MS-MS method for determination of designer cannabinoids in smokeable herbs was developed. Background
More informationRobust extraction, separation, and quantitation of structural isomer steroids from human plasma by SPE-UHPLC-MS/MS
TECHNICAL NOTE 21882 Robust extraction, separation, and quantitation of structural isomer steroids human plasma by SPE-UHPLC-MS/MS Authors Jon Bardsley 1, Kean Woodmansey 1, and Stacy Tremintin 2 1 Thermo
More informationAdvancing your Forensic Toxicology Analyses; Adopting the Latest in Mass Spectrometry Innovations
Advancing your Forensic Toxicology Analyses; Adopting the Latest in Mass Spectrometry Innovations For Research Use Only. Not for use in diagnostic procedures. 1 2015 AB Sciex RUO-MKT-11-1018-A For research
More informationQuantification of lovastatin in human plasma by LC/ESI/MS/MS using the Agilent 6410 Triple Quadrupole LC/MS system
Quantification of lovastatin in human plasma by LC/ESI/MS/MS using the Agilent 641 Triple Quadrupole LC/MS system Application Note Clinical Research Author Siji Joseph Agilent Technologies Bangalore, India
More informationIdentification of Ginsenosides Using the SCIEX X500R QTOF System
Identification of Ginsenosides Using the SCIEX X500R QTOF System Wang Sha, Cheng Haiyan, Liu Ting, Li Lijun, Jin Wenhai[Author] SCIEX, Pacific Applications Support Center (Beijing). China Background Ginseng
More informationIdentification & Confirmation of Structurally Related Degradation Products of Simvastatin
Identification & Confirmation of Structurally Related Degradation Products of Simvastatin Power of QTRAP Systems for Identification and Confirmation of Degradation Products Dilip Reddy 1, Chandra Sekar
More informationQuantitation of Protein Phosphorylation Using Multiple Reaction Monitoring
Quantitation of Protein Phosphorylation Using Multiple Reaction Monitoring Application Note Authors Ning Tang, Christine A. Miller and Keith Waddell Agilent Technologies, Inc. Santa Clara, CA USA This
More informationRelative Quantitation of Human Polymorphonuclear Leukocyte Cell Membrane GPEtn Lipids
Relative Quantitation of Human Polymorphonuclear Leukocyte Cell Membrane GPEtn Lipids Using the QTRAP System with mtraq Reagents Karin A. Zemski-Berry 1, John M. Hevko 2, and Robert C. Murphy 1 1 Department
More informationThe Raptor HILIC-Si Column
The Raptor HILIC-Si Column With Raptor LC columns, Restek chemists became the first to combine the speed of superficially porous particles (also known as SPP or core-shell particles) with the resolution
More informationAmadeo R. Fernández-Alba
% of compounds % of compounds % of compounds % of compounds Amadeo R. Fernández-Alba LC-Orbitrap QExactive Focus Instrumental LOQ 1% 9% 8% 7% 6% 5% 4% 3% 2% 1% %.1 mg/g.2 mg/g Tomato.5 mg/g ddms2 Target
More informationCannabinoid Profiling and Quantitation in Hemp Extracts using the Agilent 1290 Infinity II/6230B LC/TOF system
Cannabinoid Profiling and Quantitation in Hemp Extracts using the Agilent 9 Infinity II/63B LC/TOF system Application Brief Authors Mike Adams, Karen Kaikaris, and A. Roth CWC Labs Joan Stevens, Sue D
More informationApplication Note LCMS-108 Quantitation of benzodiazepines and Z-drugs in serum with the EVOQ TM LC triple quadrupole mass spectrometer
Application Note LCMS-108 Quantitation of benzodiazepines and Z-drugs in serum with the EVOQ TM LC triple quadrupole mass spectrometer Abstract This study demonstrates a sensitive, rapid and reliable research
More informationLipidomic Analysis by UPLC-QTOF MS
Lipidomic Analysis by UPLC-QTOF MS Version: 1 Edited by: Oliver Fiehn Summary Reagents and Materials Protocol Summary:Lipidomic analysis by UPLC-QTOF mass spectrometry Reagents and Materials: Reagent/Material
More informationPhosphorylated glycosphingolipids essential for cholesterol mobilization in C. elegans
SUPPLEMENTARY INFORMATION Phosphorylated glycosphingolipids essential for cholesterol mobilization in C. elegans Sebastian Boland, Ulrike Schmidt, Vyacheslav Zagoriy, Julio L. Sampaio, Raphael Fritsche,
More informationImproved method for the quantification of lysophospholipids including enol ether
Supplemental Material Improved method for the quantification of lysophospholipids including enol ether species by liquid chromatography-tandem mass spectrometry James G. Bollinger *, Hiromi Ii*, Martin
More informationANALYTICAL REPORT 1 3C-P (C14H23NO3) 1-(3,5-dimethoxy-4-propoxylphenyl)propan-2-amine.
Vodovodna 95, 1000 LJUBLJANA, SLOVENIA T: +386 (0)1 428 44 93 E: nfl@policija.si www.policija.si Remark other NPS detected: none ANALYTICAL REPORT 1 3C-P (C14H23NO3) 1-(3,5-dimethoxy-4-propoxylphenyl)propan-2-amine
More informationA Robustness Study for the Agilent 6470 LC-MS/MS Mass Spectrometer
A Robustness Study for the Agilent 7 LC-MS/MS Mass Spectrometer Application Note Clinical Research Authors Linda Côté, Siji Joseph, Sreelakshmy Menon, and Kevin McCann Agilent Technologies, Inc. Abstract
More informationApplication Note. Abstract. Authors. Pharmaceutical
Analysis of xycodone and Its Metabolites-oroxycodone, xymorphone, and oroxymorphone in Plasma by LC/MS with an Agilent ZRBAX StableBond SB-C18 LC Column Application ote Pharmaceutical Authors Linda L.
More informationLC/QTOF Discovery of Previously Unreported Microcystins in Alberta Lake Waters
LC/QTOF Discovery of Previously Unreported Microcystins in Alberta Lake Waters Ralph Hindle Vogon Laboratory Services Ltd. Cochrane, Alberta, Canada Xu Zhang David W. Kinniburgh Alberta Centre for Toxicology
More informationDetection of oxygenated polycyclic aromatic hydrocarbons (oxy-pahs) in APCI mode with a single quadrupole mass spectrometer
APPLICATION NOTE 72819 Detection of oxygenated polycyclic aromatic hydrocarbons (oxy-pahs) in APCI mode with a single quadrupole mass spectrometer Author Maria Grübner; Thermo Fisher Scientific, Germering,
More informationRapid and Sensitive Screening of Benzodiazepines in Serum Using Liquid Chromatography-APCI-Linear Ion Trap System
T2007 Seattle, Washington Rapid and Sensitive Screening of Benzodiazepines in Serum Using Liquid hromatography-api-linear Ion Trap System Viktor Vorisek *, Vilma Habrdova, Pavel Zivny and Vladimir Palicka
More informationImpact of Chromatography on Lipid Profiling of Liver Tissue Extracts
Impact of Chromatography on Lipid Profiling of Liver Tissue Extracts Application Note Clinical Research Authors Mark Sartain and Theodore Sana Agilent Technologies, Inc. Santa Clara, California, USA Introduction
More informationUltra High Definition Optimizing all Analytical Dimensions
Ultra High Definition Optimizing all Analytical Dimensions Sensitivity Dynamic Range Signal Response Linearity Separation Speed Peak Capacity Chromatogram Mass Spectrum Mass Accuracy Resolving Power Acquisition
More informationMASS SPECTROMETRY BASED METABOLOMICS. Pavel Aronov. ABRF2010 Metabolomics Research Group March 21, 2010
MASS SPECTROMETRY BASED METABOLOMICS Pavel Aronov ABRF2010 Metabolomics Research Group March 21, 2010 Types of Experiments in Metabolomics targeted non targeted Number of analyzed metabolites is limited
More informationQuadrupole and Ion Trap Mass Analysers and an introduction to Resolution
Quadrupole and Ion Trap Mass Analysers and an introduction to Resolution A simple definition of a Mass Spectrometer A Mass Spectrometer is an analytical instrument that can separate charged molecules according
More informationEssential Lipidomics Experiments using the LTQ Orbitrap Hybrid Mass Spectrometer
Application Note: 367 Essential Lipidomics Experiments using the LTQ rbitrap Hybrid Mass Spectrometer Thomas Moehring 1, Michaela Scigelova 2, Christer S. Ejsing 3, Dominik Schwudke 3, Andrej Shevchenko
More informationDevelopment of a Bioanalytical Method for Quantification of Amyloid Beta Peptides in Cerebrospinal Fluid
Development of a Bioanalytical Method for Quantification of Amyloid Beta Peptides in Cerebrospinal Fluid Joanne ( 乔安妮 ) Mather Senior Scientist Waters Corporation Data courtesy of Erin Chambers and Mary
More informationNew Solvent Grade Targeted for Trace Analysis by UHPLC-MS
New Solvent Grade Targeted for Trace Analysis by UHPLC-MS Subhra Bhattacharya, Deva H. Puranam, and Stephen C. Roemer Thermo Fisher Scientific Fisher Chemical, One Reagent Lane, Fair Lawn, NJ Material
More informationIdentification of Steroids in Water by Ion Trap LC/MS/MS Application
Identification of Steroids in Water by Ion Trap LC/MS/MS Application Environmental Author Paul Zavitsanos and Christine Miller Agilent Technologies, Inc. Centerville Road Wilmington, DE 9- USA Abstract
More informationRapid Analysis of Water-Soluble Vitamins in Infant Formula by Standard-Addition
Rapid Analysis of Water-Soluble Vitamins in Infant Formula by Standard-Addition Evelyn Goh Waters Pacific, Singapore APPLICATION BENEFITS This method allows for the simultaneous analysis of 12 water-soluble
More information4-Fluoroethamphetamine
NMS Labs 2300 Stratford Ave Willow Grove, PA 19090 4-Fluoroethamphetamine Sample Type: Seized Material Latest Revision: January 3, 2019 Date Received: July 31, 2018 Date of Report: January 3, 2019 1. GENERAL
More informationSupporting information for. Determination of sub nm levels of low molecular mass (LMM) thiols in natural waters by liquid
Supporting information for Determination of sub nm levels of low molecular mass (LMM) thiols in natural waters by liquid chromatography tandem mass spectrometry after derivatization with p-(hydroxymercuri)
More informationComparison of mass spectrometers performances
Comparison of mass spectrometers performances Instrument Mass Mass Sensitivity resolution accuracy Quadrupole 1 x 10 3 0.1 Da* 0.5-1.0 pmol DE-MALDI 2 x 10 4 20 ppm 1-10 fmol peptide 1-5 pmol protein Ion
More informationANALYTICAL REPORT 5F-MDMB-PINACA (C20H28FN3O3) methyl 2-{[1-(5-fluoropentyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoate
Vodovodna 95 1000 Ljubljana SLOVENIJA ANALYTICAL REPORT 5F-MDMB-PINACA (C20H28FN3O3) methyl 2-{[1-(5-fluoropentyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoate Remark other NPS detected: none Sample
More informationQuantitative Analysis of THC and Main Metabolites in Whole Blood Using Tandem Mass Spectrometry and Automated Online Sample Preparation
Quantitative Analysis of THC and Main Metabolites in Whole Blood Using Tandem Mass Spectrometry and Automated Online Sample Preparation Valérie Thibert, Bénédicte Duretz Thermo Fisher Scientific, Courtaboeuf,
More informationSummary Chapter 8 CHAPTER 8. Summary. Page 173
CHAPTER 8 Summary Page 173 Chapter 2: Liquid Chromatography/Tandem Mass Spectrometry Method for Quantitative Estimation of PEG 400 and its Applications A rapid sensitive and selective MRM based method
More informationHigh resolution mass spectrometry for bioanalysis at Janssen. Current experiences and future perspectives
High resolution mass spectrometry for bioanalysis at Janssen. Current experiences and future perspectives Lieve Dillen Drug Safety Sciences Analytical Sciences, Non-regulated Bioanalysis Presentation outline
More information