Water Quality Applications
THE MEASURE OF PURITY
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Like you, Agilent is committed to ensuring the quality
of our water supply
Of all our planet’s natural resources, none is more essential to life than water.
Unfortunately, this precious resource is both limited and in jeopardy. Clean water sources
are running dry, chemical contamination threatens existing supplies, and emerging hazards
are being recognized every year.
From large cities to remote villages, the infrastructure
needed to make water safe for human consumption –
and transport it to where it’s needed – is either aging or
nonexistent. To ensure the safety of this essential resource,
and to protect human health, governments and private
institutions are continuously monitoring and regulating the
quality of our water.
Agilent is helping to ensure the success of this effort
by providing high-productivity, high-throughput tools to
efficiently and reliably monitor water quality. With optimized
solutions for organic and inorganic detection, the most
sensitive detectors on the market, and strategies for
minimizing matrix interference, Agilent helps you achieve
the selectivity and low limits of detection (LOD) you need
to confidently measure the chemical contaminants that
threaten the global water supply.
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For more than 40 years, Agilent has been helping
our customers safeguard the world’s water supply
by combining an expanded portfolio of analytical
products with unrivaled leadership in water quality
measurement.
As water analysis needs change, we will continue
to offer the most accurate, sensitive, and reliable
solutions that ensure confidence in the quality of this
valuable resource.
Agilent’s water quality
solutions extend across all
chemical classes
Learn more about Agilent water safety technologies and applications: agilent.com/chem/environmental
Volatiles
By adding new features to minimize cycle times
and increase throughput, Agilent has enhanced the
performance of our volatiles measurement products
– boosting your productivity while retaining Agilent’s
hallmark sensitivity and reliability.
Semi Volatiles and Pesticides
Our sensitive instruments for semi volatiles and
pesticides measurement overcome the challenges of
matrix interference, resulting in high-resolution
measurements with low LOD. New Online SPE
LC/MS/MS solutions can reduce sample prep time,
while decreasing manual labor.
Emerging Contaminants
Agilent’s portfolio of LC/MS, GC/MS and ICP-MS products
combine high sensitivity with rapid, reliable analysis of
emerging contaminants for greater productivity.
Inorganic and Elemental
Enhancements to our inorganic product line have created
a comprehensive portfolio for demanding measurements
over a wide dynamic range – from parts-per-trillion to
parts-per-hundred.
Sample Preparation, Columns
and Supplies
Your best results start with Agilent sample preparation
products for selective interference removal, and Agilent-
engineered columns and supplies for speed, resolution,
and sensitivity.
Informatics Software and Services
Unmatched expertise, informatics, and services support
your water safety efforts.
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Flexible solutions for sample introduction and detection
High-capacity headspace sampling
Agilent’s 7697A Headspace Sampler provides high sample
capacity and built-in Electronic Pneumatic Control (EPC) to
ensure superior performance over a wide concentration range.
Its inert sample pathway prevents analyte degradation or loss,
with sensitivities lower than U.S. EPA and EU directives.
Analysis by headspace extraction is a direct approach for
volatiles in water, because it transfers less water to the GC,
has few parameters to adjust and is easy to implement. During
headspace sampling, vials containing samples are heated (and
may be treated with salt) to force volatile compounds into the
headspace above the sample. The headspace is then sampled,
and an aloquot is delivered to the GC via a loop.
When used with Selected Ion Monitoring (SIM), headspace
sampling can also achieve part-per-trillion levels of detection.
Agilent’s 5977A Series GC/MSD with 7697A Headspace Sampler.
Headspace sampling ensures an inert sample pathway for for superior
GC/MSD performance without analyte degradation or loss.
Volatiles Measurement
Greater productivity, sensitivity, and reliability
Volatile organic compounds (VOCs) enter our water supply
in a number of ways. Industrial processes, biological
contamination and water disinfection treatments all produce
VOCs that can increase the risk of cancer, damage organs,
and cause disease. In order to reduce the risks associated
with these compounds, many governments closely regulate
the amounts that are allowed in drinking water.
Agilent provides the tools you need to monitor trace volatile
materials in the environment. Our full range of automated
sampling devices and traps lets you choose the most
effective sampling method for your application – whether
you need the simplicity and speed of static headspace
sampling, the sensitivity of purge and trap sampling, or
the convenience of solid phase micro-extraction (SPME)
sampling.
By combining robust instruments and columns with the
latest features for minimizing cycle times and maximizing
throughput, Agilent equips you for high-productivity
measurement of VOCs in water – from regulated pollutants
to hydrocarbons.
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GC/MS analysis of tap water using the
Agilent 7696A Headspace Sampler, followed
by separation and detection with Agilent’s
7890B GC/5977A Series GC/MSD system
In this example, the 5977A GC/MSD was operated in
simultaneous SIM/SCAN mode with the trace ion detection
mode switched on. The MSD was also equipped with the
triple axis detector (TAD) and an extractor lens.
This application meets European Union requirements
for volatiles in water as outlined in 98/83/EC Directive.
Calibration from 0.05-20 ppb showed excellent % RSDs and
linearity for all analytes. Reproducibility of replicate injections
resulted in instrument detection limits <0.10 ppb for all 60
compounds.
Learn more about Agilent water safety technologies and applications: agilent.com/chem/environmental
5 cal levels
Vinyl chloride
overlay with TIC
Cal curve and ISTDS0.10 ppb Vinyl chloride
Agilent MassHunter Data Analysis Software - Vinyl Chloride calibration from 0.10-40 ppb. [5991-2108EN Environmental VOCs using Agilent Headspace
sampler with 7890B GC/5977A GC/MSD]
Agilent MassHunter 5977 data analysis - existing MSD Chemstation data
analysis methods are easily converted to MassHunter methods.
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Sensitive purge and trap autosampling
Agilent distributes the following purge and trap instruments,
which combine high-sensitivity VOC detection with low
carryover – giving you ultimate confidence from sample to
sample.
• Teledyne Tekmar Stratum Purge and Trap Concentrator (PTC)
– a sample preparation instrument that removes Volatile
Organic Compounds (VOCs) from aqueous and solid samples
using Helium or Nitrogen.
• Teledyne Tekmar AQUATek 100 Autosampler – a Purge
and Trap (P&T) autosampler that automates the sample
preparation steps for P&T analysis of liquid samples. Ideal
for samples such as drinking water and wastewater.
• Teledyne Tekmar Atomx Automated VOC Sample Prep
System – combines an autosampler and P&T into a single
instrument for analyzing VOCs in soils and waters. This is
the first and only system that employs a unique methanol
extraction automation feature for high-level soils in
accordance with U.S. EPA Method 5035.
Optimized VOC analysis in drinking water using Purge
and Trap
The chromatogram on page 7 represents the analysis of
volatiles in drinking water according to US EPA Method 524.2.
The analytical system is the Teledyne Tekmar Atomx sample
prep system interface to an Agilent 7890/5975C GC/MSD
system.
An Agilent VOC applications kit (p/n G7022A) was used to
provide optimum method parameters and instrument conditions
to ensure the best sensitivity, robustness, and stability while
meeting all the required QA/QC of this EPA method.
A calibration curve ranged from 0.25-50 µg/L routinely
produced VOC average response factors less than 20% relative
standard deviation (RSD).
Atomx System and AQUATek
100 Autosampler with Stratum
Purge & Trap Concentrator
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Learn more about Agilent water safety technologies and applications: agilent.com/chem/environmental
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Total Ion Chromatogram (TIC) of Method 524.2 Initial Calibration standard. Inset: Extracted Ion Chromatogram of the gases. [5991-0896EN
Optimized Volatile Organic Compound Analysis using Purge and Trap with the 5975C GC/MS]
VOC TekLink software allows you to enter all analysis
parameters; once activated, it continuously monitors the
system to make sure operating limits are not exceeded. The
software can also perform useful diagnostics, such as leak
Schedule screen shows multiple methods, multiple internal standards, and various dilutions that
can all be run on a single schedule. Schedules can be updated in real time.
Status section
shows the active
mode, along with
the time remaining
for that mode.
Zone section monitors actual values
compared to method-driven set points.
and benchmark tests for instrument validation. All instrument
parameters, method scheduling and editing can be programmed.
In addition, pre-developed methods are provided for easy startup
with little or no modifi cations. An optional 21 CFR Part 11 data
audit trail package is also available.
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Semi Volatiles and Pesticides Measurement
High performance with rugged dependability
Semi volatile organic compounds and pesticides can remain
in the environment for a long time, presenting a constant
threat to our water supply. Like volatile organic compounds,
semi volatiles and pesticides may cause long-term health
effects, and are regulated pollutants. However, they can be
tough to accurately quantify – especially when present in low
concentrations.
GC/MS solutions for pesticides
Maintaining sensitivity and inertness in the face
of matrix interference
Agilent’s mass spectrometers are known for their robustness,
as well as their sensitivity in the ppb and ppt range. In
addition, Agilent gives you the advantage of these leading-
edge technologies designed to eliminate matrix interference:
• Deconvolution reporting software (DRS) reduces the
impact of matrix interference through robust algorithms that
deconvolute overlapping spectra, increasing the sensitivity of
semi volatile and pesticide detection.
• Retention time locking (RTL) software reproduces retention
times within hundredths of a minute from one Agilent GC
system to another. The benefits are twofold: increased
throughput and greater confidence in your results.
• Agilent’s multimode inlet (MMI) is a programmable
temperature-vaporizing inlet that can increase signal-to-
noise ratios in cold splitless mode.
• Capillary flow technology (CFT) takes the complexity out
of column backflushing for consistently high performance.
Backflushing can significantly improve analytical results and
increase sample throughput.
• Flexible comprehensive MRM database reduces the time
to create GC/QQQ pesticide methods. Contains MRM
transitions and retention times for over 1,000 pesticides and
pollutants.
• Analyzer solutions are pre-configured and chemically
tested, helping you accurately confirm target analytes in
complex matrices.
Triple quadrupole mass spectrometry drastically reduces or
eliminates interferences that may reduce accuracy and negatively
affect detection limits in traditional GC/MS SIM methods.
Together, Agilent’s 5977A Series GC/MSD and 7693A Automatic
Liquid Sampler quickly screen and quantitate large numbers of
pesticides in a single analysis. Screening methods conform to the
latest worldwide testing requirements.
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Learn more about Agilent water safety technologies and applications: agilent.com/chem/environmental
Agilent 7000 Series Triple Quadrupole GC/MS
Perform sensitive, multiresidue analyses in
complex matrices
This 20-minute chromatogram demonstrates the separation of PAHs and
PBDEs. Labeled analogues were used as internal standards for each
compound of interest.
This list shows eight polycyclic aromatic hydrocarbons
identified by the EPA as possible human carcinogens; it
also shows six PBDE compounds that are halogenated
flame retardant chemicals. These compounds are used
in products such as textiles, plastics, wire insulation,
and automobiles. The EPA is concerned that certain
PBDE congeners may be persistent, bioaccumulative,
and toxic to people and the environment.
This screen capture of Agilent’s MassHunter Quantitative Software displays the batch
table of the 26 samples analyzed in the sequence. Extracted ion chromatograms for
PBDE 47 and its internal standard (13C PBDE 47) show a distinct peak above baseline,
even at 2 ppt. The calibration curve of the PBDE 47 is displayed between 0-10 ppt.
Detection limits were met for all compounds from 2 ppb to less than 0.5 ppt. The run took place in less than 20 minutes with simple liquid-liquid sample
preparation (hexane extraction), no sample clean-up, no solvent switching and all 14 analytes present. [5991-0017EN Analyzing Wastewaters for PAHs and
PBDEs using the Agilent 7000 Triple Quadrupole GC/MS.]
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1. Naphthalene
2. Anthracene
3. Fluoranthene
4. PBDE 28
5. PDBE 47
6. PDBE 100
7. PDBE 99
8. Benzo(b)fluoranthene
9. Benzo(k)fluoranthene
10. Benzo(a)pyrene
11. PDBE 154
12. PDBE 153
13. Indeno(1,2,3-cd)pyrene
14. Benzo(g,h,i,)perylene
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x105
Counts vs. Aquisition Time (min)
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naphthalene (2.0)
anthracene (0.1)
fl uoranthene (0.1)
benzo(b)fl uoranthene (0.015)
benzo(k)fl uoranthene (0.015)
benzo(a)pyrene (0.05)
indeno(123cd)pyrene (0.001)
benzo(ghi)perylene (0.001)
polybrominated diphenyl ether (PBDE) 28
polybrominated diphenyl ether (PBDE) 47
polybrominated diphenyl ether (PBDE) 99 (0.0005) total
polybrominated diphenyl ether (PBDE) 100
polybrominated diphenyl ether (PBDE) 153
polybrominated diphenyl ether (PBDE) 154
Compounds: (Limit of Detection in µg/L)
High-boiling molecules that flood out of the GC column at
the end of the separation create special challenges for the
ion source and mass analyzer. For complex matrices typically
separated by GC/MS/MS, this concentration of high boilers
can be a worst-case scenario.
Agilent’s 7000B Triple Quadrupole GC/MS system is the only
MS/MS analyzer designed to operate at temperatures as
high as 200 ºC. Because the quadrupole can be kept at this
high temperature, and at vacuum, it stays clean even with
complex, high-boiling samples. This eliminates frequent,
time-consuming maintenance and improves mass analyzer
performance.
In the example here, eight polycyclic aromatic hydrocarbons
(PAHs) and six Polybrominated Diphenyl Ethers (PBDEs)
were extracted from wastewater with no clean-up, and
analyzed on the Agilent 7000 Series Triple Quadrupole
GC/MS. The desired detection was achieved with 25 µL
injections using the Agilent MMI in solvent vent mode.
Labeled analogues were used as internal standards for each
compound of interest.
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LC/MS solutions for pesticides
Quantify trace-level herbicides in drinking water with
the Agilent 1200 Infinity Series Online SPE Solution
Whether you need to enrich your analytes, remove matrix
components, or lower detection limits for trace-level water
analysis, the modular design of the Agilent 1200 Infinity Series
Online SPE Solution provides you with the flexibility to tailor
your system to match virtually any analytical challenge.
Agilent’s Online SPE Solution is based on the 1290 Infinity
Flexible Cube coupled with a 6400 Series Triple Quadrupole
Mass Spectrometer. The flexible cube houses re-usable SPE
cartridges and up to two valves. Valve heads are easy to
mount on the valve drives thanks to Agilent’s Quick-Change
valve technology. A built-in pump flushes the sample onto
the cartridges.
An extensive portfolio of valves makes it easy to customize
your Online SPE system to fit your needs. Combine these kits
with the SPE starter set for applications such as:
• Direct injection
• Multi-SPE
• High volume injection, or
• Flask sampling
The high precision and accuracy of the Agilent 1200 Infinity
Series Online SPE Solution could be demonstrated in the
analysis of herbicides at trace levels down to 1 ppt (LOQ) in
drinking water.
Compound LOQ [ng/L] LOD [ng/L] Recovery [%]
Atrazine desisopropyl 5 2.0 84.3
Carbendazim 1 0.5 88.8
Metamitron 5 2.0 87.8
Fenuron 2 1.0 96.1
Atrazine desethyl 5 2.0 92.2
Chloridazon 2 1.0 96.8
Carbetamide 2 1.0 98.5
Metoxuron 2 1.0 96.8
Monuron 2 1.0 97.0
Simazine 5 2.0 97.9
Cyanazine 5 2.0 92.0
Methabenzthiazuron 1 0.5 95.5
Chlorotoluron 1 0.5 94.9
Desmetryn 1 0.5 95.6
Atrazine 2 1.0 96.9
Isoproturon 1 0.5 98.0
Diuron 2 1.0 82.1
Monolinuron 5 2.0 92.3
Propazine 2 1.0 94.6
Linuron 5 2.0 87.1
Terbuthylazine 1 0.5 100.9
Chloroxuron 1 0.5 105.5
Irgarol 1051 1 0.5 89.8
Pormetryn 1 2.0 94.3
Difl ubenzuron 5 2.0 78.0
Terbutryn 1 0.5 97.4
Trietazine 5 2.0 97.3
Performance data of all herbicides, showing limits of quantification (LOQ,
S/N = 10), limits of detection (LOD, S/N = 3) and recovery in a spiked water
sample [5991-1738EN Quantification of trace-level herbicides in drinking water
by online enrichment with the Agilent 1200 Infinity Series Online SPE Solution
and Triple Quadrupole MS Detection].
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MRM chromatograms for a calibration standard with a
concentration of 100 ppt (ng/L) each for herbicides measured
by an Online SPE LC dynamic MRM method with quantifier and
qualifier ions.
Agilent 1200 Infinity Series
Online SPE Solution
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Agilent’s Pesticide Triggered MRM (tMRM) LC/MS Application
Kit is truly unique, because much of the development work
has already been completed. The kit features easy-to-use
examples that demonstrate how to set up screening methods
and quickly adapt them to your specific needs. It also includes:
• A tMRM database and library for more than 700 pesticides
that includes compound names, up to 10 MRM transitions,
fragmentor voltages, collision energies, and the ability to
add retention times for each database compound for reliable
pesticide screening with tMRM library verification.
• Pretested analysis methods, using the tMRM database, are
provided for target screening of pesticides that are routinely
monitored around the world.
Total ion MRM chromatogram of 0.5 μg/L standard of Acidic Herbicides. [5990-4864EN Determination
of Acidic Herbicides Using an Agilent 6460 Triple Quadrupole LC/MS Equipped with Agilent Jet Stream
Technology and Direct Aqueous Injection, for Potable and Environmental Samples.]
Learn more about Agilent water safety technologies and applications: agilent.com/chem/environmental
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Emerging Contaminants Measurement
Sensitive detection and identification for
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