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[ FOOD SAFETY SOLUTIONS ] FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES

FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

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Page 1: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ]

FASTER, EASIER, AND MORE ACCURATEFOOD SAFETY ANALYSES

Page 2: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

Growing Worldwide ConcernThe safety of our food supply can no longer be taken for

granted. As the world changes and populations continue

to grow, so will the responsibility of laboratories to meet

the increasing demand for safe food supplies.

Growing Regulatory RequirementsTo meet these worldwide demands, the requirements of

regulatory bodies are also increasing. As continual food

safety monitoring is required, legislation for the testing

of a variety of contaminants in food and beverages for

exported, imported, and domestic consumption continues

to become more rigorous.

Growing Demands on Your BusinessIt is no longer enough to differentiate and establish

your brand based strictly on taste or dietary benefits.

Now you must assure your customers that it is safe and

has no negative health effects.

Growing Laboratory DemandsToday, food safety testing laboratories face numerous

scientific and operational challenges – meeting

mandated detection limits, developing sample

preparation techniques for complex matrices, increasing

sample throughput, and maximizing their return on

investment. Addressing these challenges requires

innovative analytical solutions that will enhance

laboratory effectiveness.

Page 3: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ][ FOOD SAFETY SOLUTIONS ]

THE WATERS SOLUTION

Waters helps laboratories meet these challenges with

technologies that are unparalleled in the industry. Our

solutions deliver the sensitivity, stability, reproducibility, and

versatility required to identify diverse chemical compounds,

meet compliance requirements, reduce operational costs, and

increase productivity.

By integrating analytical standards and reagents, column

and sample preparation chemistries, chromatography, mass

spectrometry, and data management software, we continue to

push the limits of key food safety applications.

Waters is committed to developing new methods that will help

you meet new and emerging legislative requirements. Look

to us as a partner who delivers scientific expertise, flexible,

superior service, and a commitment to your success.

■ Sample Preparation and Consumables

■ ACQUITY UPLC and UPLC Detectors

■ UPLC/MS/MS

■ UPLC/QTof MS

■ APGC/MS

■ Data Management

■ Waters Global Services

Page 4: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

SPE Method For The Cleanest Extracts

Oasis Sample Extraction Products

Oasis® Solid Phase Extraction (SPE) products allow for simple

and rapid sample preparation and method development. With the

Oasis product line, you can expect robust SPE methods without

having to endure irreproducible results and low recoveries,

sorbent drying, or pH limitations.

KEY FEATURES/BENEFITS

■■ Greater capacity.

■■ Excellent stability over entire pH range.

■■ Cleanest extracts.

■■ Elimination of matrix effects.

■■ Reduction of ion suppression.

■■ Superior recovery, reproducibility, retention, and

selectivity for a wide variety of compounds.

SAMPLE PREPARATION AND CONSUMABLES

Dispersive Sample Preparation for Multi-Residue Pesticide Analysis

DisQuE™ Dispersive Sample Preparation

Dispersive SPE is a simple sample preparation technique suitable

for multi-residue pesticide analysis in a wide variety of food and

agricultural products. One specific method which has become popular

is the QuEChERS technique which was created to facilitate the rapid

screening of large numbers of agricultural samples for pesticides.

KEY FEATURES/BENEFITS

■■ Easy and straightforward methods that require little training.

■■ Decrease in overall sample preparation time.

■■ Efficient, cost-effective method that can accommodate

a wide variety of commodities.

■■ Improve consistency in extraction products.

■■ Improve lab efficiency and workflow.

■■ Improve quality.

■■ Conveniently packaged centrifuge tubes and foil pouches

containing pre-weighed sorbents and buffers for use with

both the AOAC and CEN QuEChERS methods.

Page 5: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ]

Peak-to-peak S/N = 4

Peak-to-peak S/N = 19

A. 1 µg/L patulin B. 5 µg/L patulin

Faster Sample Turnaround and Lower Costs For Liquid Chromatography Separations

ACQUITY UPLC H-Class System

The Waters® ACQUITY UPLC® H-Class System offers the flexibility

of a quaternary-based HPLC with the performance advantages of

UPLC® – this means greater sample throughput, reduced cost per

analysis, and better quality results for food testing laboratories

that use traditional HPLC.

KEY FEATURES/BENEFITS

■■ Runtimes are up to 10 times faster.

■■ Seamlessly transition to UPLC separations.

■■ Maximize chromatographic resolution.

■■ Solvent consumption reduced by up to 95%.

■■ Significant reduction in method development times.

UPLC AND UPLC DETECTORS

Single Class and Compound Specific Analyses with High Performance Detectors

ACQUITY UPLC Detectors

ACQUITY UPLC optical and mass detectors enhance high-efficiency

UPLC separations, allowing you to analyze a wide variety of food

contaminants. The ACQUITY UPLC TUV, PDA, and Fluorescence

detectors provide fast data acquisition capabilities for rapid analyses,

and the sensitivity required for trace impurity detection and

quantification. And with the ACQUITY QDa™ Detector, any analytical

scientist can consistently generate the highest quality mass spectral

data routinely – no special training or expertise required.

KEY FEATURES/BENEFITS

■■ Apply the performance of UPLC to high volume, routine testing.

■■ Reduce instrument training time.

■■ Easily meet or exceed regulatory detection limits.

■■ Improve analytical workflow with Empower® Chromatography

Data (CDS) Software.

■■ Quantify compounds with no UV response at levels not

amenable to or accessible by optical detection with the

ACQUITY QDa Detector.

■■ Application areas include the detection of polyaromatic

hydrocarbons (PAHs), pesticides, and aflatoxins.

ACQUITY QDa Detector.

Analysis using the ACQUITY UPLC H-Class System with the ACQUITY QDa Detector. Single ion recording (SIR) chromatograms of patulin spiked into extracted apple juice equivalent to A. 1 μg/L and B. 5 μg/L. The signal-to-noise ratio (calculated using peak-to-peak) is annotated on each chromatogram.

Page 6: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

Multi-Class Compound Testing with Advanced Quantitative UPLC/MS/MS

Xevo TQ-S

The Xevo® TQ-S provides the ultimate in quantitative capabilities

for the analysis of food and beverage samples. This system is

designed to enable uncomplicated access to superior UPLC/MS/MS

performance, delivering the highest levels of sensitivity, selectivity,

robustness, speed, and accuracy.

Pesticide analysis with the ACQUITY UPLC I-Class System and the Xevo TQ-S. MRM chromatograms of acetamiprid and pyraclostrobin in mixed vegetable juice samples at ultra-trace levels (acetamiprid at 0.51 ppb and pyraclostrobin at 0.17 ppb).

Xevo TQ-S.

min4.200 4.400 4.600 4.800 5.000

%

0

100

F9:MRM of 2 channels,ES+223 > 56.1

Acetamiprid4.59

min

%

0

100

F9:MRM of 2 channels,ES+223 > 126

Acetamiprid4.59

min9.600 9.800 10.000 10.200 10.400

%

0

100

F27:MRM of 2 channels,ES+388.1 > 193.9

Pyraclostrobin9.79

9.51

10.00

10.37

min

%

0

100

F27:MRM of 2 channels,ES+388.1 > 163

Pyraclostrobin9.79

9.58

KEY FEATURES/BENEFITS

■■ RADAR™ Technology - Monitor matrix interferences by

simultaneously monitoring full scan background data

during quantitative MS/MS method development.

■■ StepWave™ off-axis ion source technology allows for the

detection of target compounds at very low concentrations,

dilution of samples to reduce matrix effects, and the use of

smaller sample volumes.

■■ ScanWave™ Technology allows scientists to get both the very best

quantitative data as well as superior spectral MS/MS information.

■■ Automated instrument optimization with

IntelliStart™ Technology.

■■ Search, manage, and automatically optimize methods

with MassLynx® workflow software tools including

the Quanpedia™ Database.

■■ Simple “dilute-and-shoot” approach improves laboratory

productivity by eliminating sample prep for certain

beverage matrices.

■■ Minimize sample runtime and maximize the number

of compounds assayed in a single method.

■■ Application areas include the detection of pesticides,

veterinary drugs, mycotoxins, and marine biotoxins.

UPLC/MS/MS

Page 7: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ]

Routine Quantitative Analyses that are Rapid, Robust, and Reliable

Xevo TQD

Created to reduce complexity in mass spectrometry, the Xevo TQD

ensures maximum productivity with minimum effort. The advanced

technology of the ACQUITY UPLC H-Class System and the robust

universal ion source architecture available with the Xevo TQD ensure

dependability, while providing a flexible platform to accommodate

ever-changing food and beverage sample types. A cost-effective

solution that everyone in the lab can use.

KEY FEATURES/BENEFITS

■■ The only system in its class that enables simultaneous

acquisition of high quality quantitative and qualitative data

from the widest range of experiments.

■■ IntelliStart Technology simplifies MS setup and routine

operation with automated quantification workflow tools

that minimize variability between different operators,

departments, and laboratories.

■■ Observe MRM (multiple reaction monitoring) data and full

scan background data simultaneously for faster, more robust

method development.

■■ RADAR Technology provides the sensitivity and selectivity

to monitor for matrix interferences, metabolites, impurities,

and degradants in samples while accurately quantifying

target compounds.

ACQUITY UPLC H-Class System with Xevo TQD.

Page 8: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

A Comprehensive, Fit-For-Purpose Screening Solution

Waters Screening Platform Solution with UNIFI®

Integrates unsurpassed chromatography and mass spectrometry instrumentation with

next-generation Informatics. Target, identify, quantify, and review using a streamlined

analytical workflow that enables more accurate results across a wide range of food

safety applications including pesticides, veterinary drugs, natural toxins, and food

packaging contaminants.

Analysis of antibiotics using the Waters Screening Platform Solution with UNIFI. A mix of 12 sulfonamides was spiked into a sample of bovine milk at 100 μg/L prior to extraction. The 12 sulfonamides were identified in the extracted sample using the accurate mass of molecular ions and retention time contained in the UNIFI Scientific Library. The identified components are displayed in the component plot. Information rich MSE data allows for confirmation of the individual sulfonamides using accurate mass high energy fragments obtained in the same injection. Annotated spectra and extracted ion chromatograms are displayed for all low and high energy masses identified for each component.

UPLC/Tof MS

Xevo G2-S Q-Tof.

KEY FEATURES/BENEFITS

The ACQUITY UPLC I-Class System:

■■ Rapid, high-resolution separations help resolve components

of interest from complex matrix interference peaks faster than

ever before.

■■ Maximizes peak signal-to-noise to enhance mass

spectral sensitivity.

■■ Provides the lowest carryover.

The Xevo G2-S QTof:

■■ Analyze the broadest range of compounds in the most

complex samples.

■■ StepWave ion optics allow for unsurpassed levels of

robust sensitivity.

■■ MSE Technology simplifies and deconvolutes spectra,

associating fragment ions with their specific precursor.

■■ Meet rigorous regulatory requirements by reducing false

positives and false negatives.

The UNIFI Scientific Information System:

■■ Data acquisition, processing, and reporting functionality

within a single easy-to-use Informatics platform.

■■ Facilitates data standardization so that information can be

exchanged among departments and third-party partners.

■■ The scientific library allows you to make use of your prior

work, as well as the data of colleagues.

Page 9: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ]

retention

mobility

peak capacity

m/z

UPLC

T-Wave IMS

QuanTof

LC/HDMS

x

x

=

Resolution in Three Dimensions

SYNAPT G2-Si

SYNAPT® High Definition Mass Spectrometry® is the combination of high-efficiency T-Wave™

ion mobility (IM) measurements and separations with high-performance tandem MS, enabling

the differentiation of samples by size, shape and charge, as well as mass.

KEY FEATURES/BENEFITS

■■ StepWave, QuanTof, and MSE data independent acquisition combine to provide the most

comprehensive and confident untargeted identification and quantification of compounds

with UPLC/MS/MS, at the lowest concentration levels in complex matrices.

■■ Provides a large increase in analytical peak capacity, and delivers more information

than is available with the highest chromatographic or mass resolution alone.

■■ The orthogonal dimension of gas-phase ion mobility separation allows you to take

advantage of a molecule’s Collision Cross-Section (CCS) to significantly enhance

separation, specificity, sensitivity, and structural insight in your analysis.

SYNAPT G2-Si.

Singly charged up to 5x total MS peak capacity.

Multiply charged up to 10x total MS peak capacity.

Page 10: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

Molecular formula C H Cl NO PSMolecular CChlorpyrifos 9H11 Cl3 NO3PS

Molar mass 350.59

APGCNIST Library100

349.93351.93100

29

97

197

PO

O

O

SN

Cl

Cl

APGC

%

167.99

353.93

50

4765

109

125

169

208258

286

314Cl

m/z20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360

0323.8930

355.92323.89

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 3500

1581 133 153

169

224

244 276 349

No Compromise GC/MS

Atmospheric Pressure GC

Atmospheric Pressure GC (APGC) adds GC capability to today’s advanced MS technologies. This provides users with access

to ultra-trace quantification, comprehensive qualitative MS and MS/MS, and high resolution, ion-mobility separations.

Pesticide analysis with APGC. Spectral comparison for chlorpyrifos: EI (left) and APGC (right). The EI spectrum (taken from NIST) is highly fragmented whereas the APGC spectrum shows less fragmentation and provides the [M+H]+ as the base peak.

APGC/MS

KEY FEATURES/BENEFITS

■■ Soft ionization means less fragmentation for many compounds

compared with techniques such as electrospray ionization (EI).

This can yield higher sensitivity and specificity, simplifying

pre-cursor ion selection.

■■ Maximize uptime and asset utilization - Changeover from UPLC

to GC is quick and simple, and since APGC is not a vacuum

technique, equilibration times between modes of operation

are kept to a minimum.

■■ APGC tandem quadrupole MS, using the Xevo TQ-S, enables

detection limits at ultra-trace levels. This allows compliance with

regulatory limits and the ability to inject less sample matrix.

■■ APGC with Xevo G2-S QTof enables the most complete screening

of samples using both ACQUITY UPLC and GC separations.

■■ High-resolution, ion mobility separations with APGC and the

SYNAPT G2-Si allow you to use the Collision Cross Section (CCS)

of a molecule to provide significant enhancements in sensitivity,

separation, specificity, and structural insight.

■■ Application areas include the detection of multi-residue

pesticides, dioxins, and PCBs.

Page 11: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

[ FOOD SAFETY SOLUTIONS ]

Waters Global Services

Be Assured. Choose Waters Global Services.

Waters Global Services focuses on

optimizing Waters products with

superior service, support, upgrades,

training, and Waters Quality Parts.®

Proven Satisfaction

For thirteen consecutive years, an

independent quality auditing firm

ranked Waters Global Services

Best-in-Class in providing expert

technical knowledge, quick

resolution of system issues,

and process support.1

1 Achievement in Customer Excellence Award,

CustomerSat, Inc., 2007-2013; NorthFace

ScoreBoard Award,sm Omega Management

Group Corporation, 2001-2006.

WATERS LABORATORY INFORMATICS SOFTWARE

Effective Data Management for Food Safety Analyses

Empower 3 Chromatography Data Software (CDS) makes

it easier than ever to run samples and produce meaningful

results. Empower 3’s interface is designed to maximize

your productivity, improving how you collect, process, and

print chromatography data. Grows seamlessly from a single

workstation to an enterprise-wide system with Empower 3’s

scalable, modular architecture, which fits into the most modern,

secure, HA (high availability) corporate architecture.

NuGenesis 8 Platform is a comprehensive data management

and workflow solution that supports the entire product lifecycle

from discovery through manufacturing. This user-centric

platform encompasses NuGenesis® SDMS, a compliant-ready

data repository, and NuGenesis ELN, a flexible analytical

electronic laboratory notebook. Capabilities such as sample

management, laboratory inventories, data retention and

legal hold, and electronic laboratory execution methods,

allow NuGenesis 8 to connect the scientific data from your

laboratories to the business systems of your organization more

effectively than ever before.

MassLynx Software acquires, analyzes, and distributes Waters’

mass spectrometry information for comprehensive instrument

control and data processing. To assist with both data acquisition

and the transformation of data into usable results, MassLynx

Software offers easy-to-use Application Managers that allow

you to focus the power of MS on your laboratory's specific tasks.

Paradigm™ Scientific Search is the next-generation of search

technology for science-driven organizations. Offers a solution

for accessing scientifically relevant information (chemical

structures, methods, chemical reactions, chromatograms,

spectra etc.), across an organization, spanning information

silos, performing searches based on science objects, and adding

structure to unstructured data.

[ FOOD SAFETY SOLUTIONS ]

Page 12: FASTER, EASIER, AND MORE ACCURATE FOOD SAFETY ANALYSES · 2014-07-08 · Integrates unsurpassed chromatography and mass spectrometry instrumentation with next-generation Informatics

Waters Corporation 34 Maple Street Milford, MA 01757 U.S.A. T: 508 478 2000 F: 508 872 1990 www.waters.com

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Waters, Oasis, ACQUITY UPLC, UPLC, ACQUITY, Xevo, UNIFI, Empower, High Definition Mass Spectrometry, MassLynx, NuGenesis, SYNAPT, Waters Quality Parts, and The Science of What’s Possible are registered trademarks of Waters Corporation. ACQUITY QDa, DisQuE, StepWave, ScanWave, IntelliStart, Quanpedia, RADAR, Paradigm, and T-Wave are trademarks of Waters Corporation. All other trademarks are the property of their respective owners.

©2014 Waters Corporation. Printed in the U.S.A. March 2014 720002287EN VW-SIG

www.waters.com/food