Streamlining VOC Detection for Environmental Protection
App Note / Case Study
Published: October 1, 2024
Credit: iStock
Analysis of volatile organic compounds (VOCs) in water is an essential part of monitoring contamination levels, to protect both the environment and public health, in accordance with local regulations.
However, conventional sample preparation and analysis methods frequently encounter challenges with efficiency and reliability, creating a need for innovative solutions that streamline workflows and enhance reliability.
This application note demonstrates how automated sample preparation techniques for VOC analysis help to maintain high water quality standards through increased accuracy.
Download this application note to discover:
- The advantages of automated workflows in environmental analysis for improved efficiency
- Insights into the methodologies for VOC detection in drinking and surface water
- Solutions to common challenges in sample preparation
Goal
The aim of this study is to demonstrate the suitability of the Thermo Scientific™ TriPlus™
RSH SMART VOC Sample Prep Station for the analysis of volatile organic compounds
(VOCs) in drinking and surface water by using a fully automated sample preparation
workflow.
Introduction
Organic chemicals are widely used as ingredients in household products as well as
fuels, industrial uses, and manufacturing. Through inappropriate use or disposal, they
are released into the air as gases and can leach into ground water and wastewater.
Consequently, they need to be considered as ubiquitous pollutants in the environment.
In environmental analysis, classification is usually accomplished using a compound’s
volatility, either classifying them as volatile or semi-volatile organic compounds (VOCs
and SVOCs, respectively). VOCs have a higher vapor pressure and lower water solubility
than SVOCs. This compound class includes a variety of chemicals, some of which may
have short- and long-term adverse health effects.¹ Environmental agencies worldwide
strictly regulate the presence of VOCs in drinking2
and surface water3
by establishing
the allowed limits and providing analytical methods1
that may be considered when
determining VOCs in water samples. The recent update to the Drinking Water Directive,2
entered into force in January 2021, is the EU’s main law in regulating the contaminant
An automated approach for the analysis of VOCs in drinking
and surface water by using the TriPlus RSH SMART VOC
Sample Prep Station
Application note | 002695
Authors
Giulia Riccardino1
, Moira Zanaboni1
,
Manuela Bergna1
, Daniela Cavagnino1
and
Daniel Kutscher2
1
Thermo Fisher Scientific, Milan, Italy
2
Thermo Fisher Scientific, Bremen, Germany
Keywords
Automated sample preparation,
TriPlus RSH SMART Sample Prep
Station, volatile organic compounds,
VOCs, drinking water, surface water,
gas chromatography, TRACE 1610 GC,
single quadrupole mass spectrometry,
ISQ 7610 GC-MS
Environmental
thresholds in drinking water, whereas the Environmental Quality
Standard Directive establishes the allowed limits for contaminants
in surface water.3
One of the main challenges in VOCs analysis is the sample
preparation. These compounds are usually present at trace
concentrations in a variety of complex matrices; therefore, they
need to be extracted and pre-concentrated prior the analysis.
Because of their chemical properties, they are also prone to
evaporate or degrade, thus having limited stability for analysis.
When dealing with VOCs analysis in water, multiple sample
preparation techniques can be considered for extracting these
compounds, such as solid-phase microextraction (SPME),
purge-and-trap (P&T), liquid-liquid extraction (LLE), and
headspace analysis (HS). Among these, P&T and HS sampling
are the most common techniques for the analysis of aqueous
samples. Headspace is a straightforward approach that allows
for the extraction of volatile and very volatile compounds from
non-volatile matrix in a fast and simple way, without the need for
time-consuming sample preparation. Water samples are simply
heated and maintained at a constant temperature in closed vials
to promote the migration of volatile compounds from the matrix
to the vapor phase (headspace). After equilibration, an aliquot of
headspace is injected for analysis. Compared to other dynamic
techniques like P&T where the volatile compounds are stripped
continuously with an inert gas through the sample, the static
headspace technique is not affected by foam formation and
minimal maintenance of the system is required.
Internal standards are usually added to the sample vials prior to
the sample preparation and used to monitor extraction efficiency.
To achieve a reliable quantitative analysis, they are used in the
data processing to compensate for sample loss, matrix effects,
and variability of the detector. When dealing with HS sampling,
the sample preparation is minimal, typically consisting of
transferring the water sample into a HS vial and adding the ISTDs
to a batch of samples before starting the analytical sequence
(sample incubation followed by GC analysis). However, with this
approach, sample vials may remain on the autosampler tray
for hours, especially in case of long sequences, with possible
impact on sample integrity and overall data repeatability, affecting
quantitative analysis.
With the TriPlus RSH SMART VOC Sample Prep Station, reagents
can be added immediately before the sample incubation by
using a dedicated dual head configuration (Figure 1). One head
is equipped with a liquid tool to dispense the reagents (e.g.,
ISTD or calibration standard) into the sample vial, whereas the
second head moves the vial into the incubator for headspace
analysis. The possibility of adding fresh reagents just before the
incubation increases the stability of samples, therefore increasing
the accuracy of the quantitation of target analytes during data
reprocessing. Table 1 shows the absolute peak area %RSD
comparison for two batches of samples bracketed by QCs spiked
with a VOC mix at 10 ng/mL and ISTD/surrogate solutions. In
batch 1 the reagents were automatically spiked before starting
the sequence using a dedicated script, whereas in batch 2, the
reagents were added to each sample just before incubation, with
an improvement of the average RSD from 8.4% to 3.2%.
Figure 1. TriPlus RSH SMART VOC Sample Prep Station configuration for automated analysis of VOCs
1 giulia.riccardino@thermofisher.com | 10-11 October 2023
Standard wash station 3 x Trayholder
Incubator
Large wash
station
Left head with liquid tool Right head with HS tool
ATC
2
The TriPlus RSH SMART VOC Sample Prep Station is capable of
processing up to 150 samples unattended. Sample capacity can
be further extended up to 210 samples.
In this study, the reliability of an automated workflow including
the generation of calibration curves, as well as internal standard
addition for analysis of VOCs in drinking and surface water, was
evaluated.
Table 1. Absolute peak area %RSD comparison between two batches of samples bracketed by QCs spiked with a VOC mix at 10 ng/mL and
ISTD/surrogate solutions. In batch 1 the reagents were automatically spiked before starting the sequence, whereas in batch 2 the reagents were
added to each sample just before incubation.
QC absolute peak area %RSD (n=6)
Peak name Batch 1 Batch 2
Dichlorodifluoromethane 5.9 5.7
Vinyl chloride 5.8 8.1
Chloroethane 7.2 2.6
Trichlorofluoromethane 4.8 2.8
1,1-Dichloroethene 5.9 3.6
Methylene chloride 5.1 1.2
1,2-Dichloroethene (Z cis) 5.9 2.9
1,1-Dichloroethane 5.6 1.9
1,2-Dichloroethene (E) 5.9 3.2
Bromochloromethane 8.1 1.5
Chloroform (Trichloromethane) 4.8 1.6
1,1,1-Trichloroethane 5 2
2,2-Dichloropropene 4.9 2.1
Surr Dibromofluoromethane 5 1.5
ISTD Pentafluorobenzene 6.5 3.8
Carbon tetrachloride 5.1 2.5
Benzene 6.1 2.7
1,2-Dichloroethane 5.3 4
ISTD 1,4-Difluorobenzene 6.5 4
Trichloroethene 5.9 3.2
1,2-Dichloropropane 5.7 2
Dibromomethane 7 1.8
Bromodichloromethane 5.3 1.5
Surr Toluene D8 7.2 4.1
1.3-Dichloropropene (Z) 8.5 3.7
Toluene 7.6 4.2
1,1,2-Trichloroethane 5.3 2.9
Tetrachloroethene 7 2.5
1,3-Dichloropropane 7.5 1.7
Dibromochloromethane 6.2 1.4
1,2-Dibromoethane 18.6 2.1
ISTD Chlorobenzene D5 7.6 3.2
By using an automated approach, the analyst is only required
to transfer the samples into the headspace vials, place them on
the autosampler tray, and place the stock solutions containing
the reagents to be dispensed, thus saving valuable analyst time,
reducing the risk of human errors, and ensuring a safer laboratory
environment with less exposure to harmful chemicals.
QC absolute peak area %RSD (n=6)
Peak name Batch 1 Batch 2
Chlorobenzene 7 3.6
1,1,1,2-Tetrachloroethane 6.2 1.4
Ethylbenzene 8.9 4.6
m,p-Xylene 9.7 4.6
o-Xylene 9 4.1
Styrene 9.7 4.5
Bromoform 6.1 2.1
Isopropylbenzene (Cumene) 10.2 4.7
BFB 1-Bromo-4-fluorobenzene 8.6 3.4
1,1,2,2-Tetrachloroethane 4.4 2.1
Bromobenzene 7.1 3.5
1,2,3-Trichloropropane 14.7 3
n-Propylbenzene 12.3 4.4
1,3,5-Trimethylbenzene 12.9 4.7
2-Chlorotoluene 9.8 4.5
4-Chlorotoluene 11.2 3.7
tert-Butylbenzene 13.4 4.5
1,2,4-Trimethylbenzene 12.3 4.6
sec-Butylbenzene 14.4 4.3
4-Isopropyltoluene (p-Cymene) 15.3 4.9
1,3-Dicholorobenzene 9.9 2.2
ISTD 1,4-Dichlorobenzene D4 11 2.6
1,4-Dicholorobenzene 9.9 2.7
n-Butylbenzene 17.6 4.2
1,2-Dichlorobenzene 9 2.7
1,2-Dibromo-3-chloropropane 6.7 2.7
1,2,4-Trichlorobenzene 9.4 4.5
Hexachlorobutadiene 17.6 2.7
Naphtalene 8.8 4.3
1,2,3-Trichlorobenzene 8.3 4.3
Average RSD% 8.4 3.2
3
Figure 2. Schematic showing the workflow for automated preparation of calibration solution and
addition of ISTD/surrogate mix to sample vials for analysis of VOCs
Experimental
Instrumentation
In these experiments, a TriPlus RSH SMART VOC Sample Prep
Station was used to automate the calibration curve dilution
and the internal standard addition by using a pre-compiled
sequence of operations that is fully embedded in the Thermo
Scientific™ Chromeleon™ 7.3 Chromatography Data System
(CDS) for seamless and straightforward method set-up and
instrument control (Figure 2). A detailed description of the
autosampler configuration, including a complete list of suggested
consumables, is reported in Appendix 1.
The TriPlus RSH SMART VOC Sample Prep Station was installed
on top of a Thermo Scientific™ TRACE 1610 GC, equipped with
a Thermo Scientific™ iConnect™ split/splitless injector working
in HeSaver-H2
Safer mode, and coupled to a Thermo Scientific™
ISQ™ 7610 single quadrupole mass spectrometer.
Chromatographic separation was achieved using a Thermo
Scientific™ TraceGOLD™ TG-624 SilMS, 20 m × 0.18 mm × 1.0 µm
column (P/N 26059-4950). This column provided high inertness
and thermal stability with maximum temperatures up to 320 °C.
The phase thickness makes this column ideal for volatile
organics analysis. Helium was used as carrier gas providing high
chromatographic efficiency and inertness. The Thermo Scientific™
Helium Saver technology4
ensured reduced helium consumption
by using a cheaper gas (e.g., nitrogen) for inlet pressurization,
analyte vaporization, and transfer to the analytical column and
using helium only to feed the chromatographic column for the
separation process.
Instrument parameters as well as a complete list of the target
compounds, including quantifier and qualifier ions, are reported
in Appendix 2.
Data acquisition, processing, and reporting
The TriPlus RSH SMART VOC Sample Prep Station instrument
control is fully integrated in Chromeleon 7.3 CDS, ensuring
a streamlined automated workflow covering on-line sample
preparation, sequence setup, data acquisition, and reporting.
The Chromeleon Environmental Analysis Extension Pack for U.S.
EPA-based environmental applications provides a comprehensive
set of GC-MS eWorkflow™ procedures for quick sequence setup and reporting templates to make data review and reporting
easier. Moreover, with the ever-evolving compliance requirements
for data integrity and data security, Chromeleon CDS provides a
secure platform for analytical laboratories to comply with modern
regulatory guidelines including FDA 21 CFR Part 11 and European
Commission (EU) Annex 11.
GC Injection
Incubation for 17 minutes
ISTD / SURR addition
Calibration solution addition
Calibration solution
GC injection
Incubation for 17 minutes
ISTD / SURR addition
QC solution addition (*optional)
Sample and QC preparation
Vials are then placed on the autosampler tray
An aliquot (10 mL) of water sample is manually transferred by the
analyst into a 20 mL HS vial
4
Standard and sample preparation
Calibration curve preparation
Multi-component standard solutions were purchased from
Restek (8260 Volatile Organics Kit, 2000 µg/mL in methanol,
P/N 30076) and diluted in methanol (Optima™ LC/MS grade,
Fisher Scientific™, P/N A456-1) to obtain:
• Four calibration solutions (20 µg/mL, 2 µg/mL, 0.2 µg/mL,
and 0.02 µg/mL)
• Internal standard and surrogate solution (20 µg/mL and
25 µg/mL, respectively).
These stock solutions were placed in the autosampler tray
and different aliquots were automatically dispensed by the
autosampler into 20 mL screw top headspace vials
(P/N 6ASV20-1, caps P/N 6PMSC18-ST2), previously filled with
tap water (10 mL) and containing solid sodium thiosulphate
(>99,99%, Sigma-Aldrich, P/N 563188) to neutralize any residual
chlorine, to produce a 10-point calibration curve and QC
samples. The calibration curve ranged from 0.1 to 100 ng/mL
according to the scheme reported in Appendix 3.
Sample preparation
Tap water samples and surface water samples were collected
from different locations around the Milan metropolitan area.
Solid sodium thiosulphate was added immediately after sample
collection in the field. Samples were prepared for analysis by
transferring 10 mL of the collected water into 20 mL screw top
headspace vials.
An aliquot (10 µL) of the internal standard and surrogate solution
(20 µg/mL and 25 µg/mL, respectively) was then automatically
added by the autosampler to each sample immediately before
vial incubation.
Results and discussion
Chromatography
Headspace sampling allowed for the extraction of the target
volatile analytes in a fast and simple way without the need for
time-consuming sample preparation. A single ion monitoring
(SIM) acquisition method allowed for simultaneous acquisition
of multiple characteristic ions for each compound of interest,
combining sensitivity with high selectivity, and thus ensuring a
confident identification and subsequent quantification of analytes.
As an example, the SIM trace of a tap water sample spiked
at 10 ng/mL with VOC mix, ISTD (20 ng/mL) and surrogate
(25 ng/mL) is shown in Figure 3. The high thermal stability and
superior inertness of the TraceGOLD TG-624 SilMS column
ensured baseline chromatographic separation in a short analysis
time (<14 minutes) for most of the target compounds. Very few
exceptions could be identified based on their characteristic m/z.
Linearity and method detection limits (MDLs)
Two matrix-matched calibration curves in tap water ranging from
0.1 to 100 ng/mL were automatically diluted by the TriPlus RSH
SMART VOC Sample Prep Station and used to evaluate the
system repeatability for calibration curve preparation. All target
analytes showed a linear trend with coefficient of determination
(R2
) > 0.990, relative response factor (RRF) %RSD < 20% and
calculated amount within 20% the expected values as reported
in Appendix 4. Full range calibration curves (0.1–100 ng/mL) for
benzene, dibromomethane, and 1,2,4-trimethylbenzene as well
as an extracted ion chromatogram (XIC) showing the quantifier
and qualifier ions for a tap water sample spiked at 0.1 ng/mL are
reported as an example in Figure 4. The SIM trace showing all the
target compounds in a tap water sample spiked with VOC mix at
0.1 ng/mL is also presented in Figure 4.
MDLs and precision were assessed using n=10 replicates of
matrix-matched water samples spiked with VOC solution at
0.5 ng/mL, ISTD (20 ng/mL) and surrogate mix (25 ng/mL).
Calculated MDLs were ≤ 0.17 ng/mL, with calculated absolute
peak area %RSD < 20% for all compounds (Appendix 4).
5
Figure 3. SIM trace showing an example of the chromatographic separation obtained for a tap water sample spiked at 10 ng/mL with VOC
mix, ISTD (20 ng/mL), and surrogate (25 ng/mL)
1.3 2.0 4.0 6.0 8.0 10.0 12.0 13.6
0.0e0
1.3e6
2.5e6
3.8e6
5.0e6
6.3e6
7.5e6
8.5e6
Response [counts]
1 2 3
4
5 6
7
8
9
10 11
12
16
20
21
22
23
24
25
26
27
28
29
30
31
32
13
15
16
17
18
19
18
19
17
33
34
35
36
37
33
36
37
38
39
40
41
42
43
44
45
46
47 48 49
49
50
51
52
53
54
56
46 57
59
60
61
6263
55
Time [min]
14
58
Peak name Peak no.
Dichlorodifluoromethane 1
Chloromethane 2
Vinyl chloride 3
Chloroethane 4
Trichlorofluoromethane 5
1,1-Dichloroethene 6
Methylene chloride 7
1,2-Dichloroethene (Z) 8
1,1-Dichloroethane 9
1,2-Dichloroethene (E) 10
Bromochloromethane 11
Chloroform (Trichloromethane) 12
1,1,1-Trichloroethane 13
2,2-Dichloropropene 14
Surr Dibromofluoromethane 15
ISTD Pentafluorobenzene 16
Carbon tetrachloride 17
Benzene 18
1,2-Dichloroethane 19
ISTD 1,4-Difluorobenzene 20
Trichloroethene 21
1,2-Dichloropropane 22
Dibromomethane 23
Bromodichloromethane 24
Surr Toluene D8 25
1.3-Dichloropropene (Z) 26
Toluene 27
1,1,2-Trichloroethane 28
Tetrachloroethene 29
1,3-Dichloropropane 30
Dibromochloromethane 31
Peak name Peak no.
ISTD Chlorobenzene D5 33
Chlorobenzene 34
1,1,1,2-Tetrachloroethane 35
Ethylbenzene 36
m,p -Xylene 37
o -Xylene 38
Styrene 39
Bromoform 40
Isopropylbenzene (Cumene) 41
BFB 1-Bromo-4-fluorobenzene 42
1,1,2,2-tetrachloroethane 43
Bromobenzene 44
1,2,3-Trichloropropane 45
n -Propylbenzene 46
1,3,5-Trimethylbenzene 47
2-Chlorotoluene 48
4-Chlorotoluene 49
tert-Butylbenzene 50
1,2,4-Trimethylbenzene 51
sec-Butylbenzene 52
4-Isopropyltoluene (p-Cymene) 53
1,3-Dicholorobenzene 54
ISTD 1,4-Dichlorobenzene D4 55
1,4-Dicholorobenzene 56
n-Butylbenzene 57
1,2-Dichlorobenzene 58
1,2-Dibromo-3-chloropropane 59
1,2,4-Trichlorobenzene 60
Hexachlorobutadiene 61
Naphtalene 62
1,2,3-Trichlorobenzene 63 1,2-Dibromoethane 32
6
Amount [ng/mL]
0 50 100
0
200
400
589
% ISTD
Benzene
0 50 120
0.0
12.5
25.0
41.2
% ISTD
Dibromomethane
0 50 120
0
100
200
300
353
% ISTD
1,2,4-Trimethylbenzene
1.3 2.0 4.0 6.0 8.0 10.0 12.0 13.6
0.0e0
1.3e4
2.5e4
3.8e4
5.0e4
6.3e4
7.5e4
8.8e4
Intensity [counts]
6.805 7.000 7.076
5.0e3
1.0e4
1.5e4
2.0e4
2.6e4
Benzene
RT = 6.93
Area = 966
S/N = 33.9
Calc. amt. = 0.09 ng/mL
7.911 8.000 8.151
1.0e3
2.0e3
2.9e3
Dibromomethane
RT = 8.02
Area = 59
S/N = 8.7
Calc. amt. = 0.12 ng/mL
Time [min]
11.337 11.400 11.454
0.0e0
1.0e4
2.0e4
3.0e4
3.8e4
1,2,24-Trimethylbenzene
RT = 11.40 min
Area = 869
S/N = 21.9
Calc. amt. = 0.11 ng/mL
Time [min]
A B
C
Figure 4. Full range calibration curves (0.1–100 ng/mL) for benzene, dibromomethane, and 1,2,4-trimethylbenzene (A), XIC showing the
quantifier and qualifier ions for a tap water sample spiked at 0.1 ng/mL (B), and SIM trace showing the target compounds in a tap water
sample spiked with a VOC mix at the lowest calibration point (0.1 ng/mL), ISTD (20 ng/mL) and surrogates (25 ng/mL) (C)
Inter-day repeatability
Analytical testing laboratories need to process a high number
of samples every day. Therefore, it is critical that the instrument
performs consistently every day.
The repeatability of the TriPlus RSH SMART VOC Sample Prep
Station and system performance for everyday analysis were
evaluated over six days of continuous operation by preparing
three batches of samples (n=44 samples each) consisting of
blank matrix, a calibration set ranging from 0.1 to 100 ng/mL,
matrix-matched QCs spiked with VOC standard solution at
10 ng/mL bracketing series of n=5 samples of tap and surface
water samples collected in different locations in the Milan
area. Samples were spiked with internal standard solution and
surrogate at 20 ng/mL and 25 ng/mL, respectively.
The precise mechanical control of the TriPlus RSH SMART VOC
Sample Prep Station ensured reproducible addition of both the
ISTD/surrogate solution as well as the VOC mix with average
absolute peak area %RSD across the entire evaluation period
<20%, QC calculated amount with respect to the batch ran on
day 1 within 20%, and calculated recovery within 70–130%, with
the only exception of 1,2-dibromo-3-chloropropane for which
the % recovery was 132% (Appendix 5). As an example, the
ISTD/surrogate peak area %RSD for the analyzed samples across
the batches across the evaluation period is reported in Figure 5.
The analyzed samples results were compliant with the allowed
threshold limits established by the current EU directives on the
quality of water intended for human consumption and for the
surface waters. Quantitative results are detailed in Appendix 6.
7
0
50,000
100,000
150,000
200,000
250,000
13579 11 13 15 17 19 21 23 25 27 29 31 33 35 37 39 41 43 45 47 49 51 53 55 57 59 61 63 65 67 69 71 73 75 77 79 81
Peak area [counts*min]
Sample number
ISTD / Surrogate peak area %RSD
Surr Dibromofluoromethane (%RSD=8.5) ISTD Pentafluorobenzene (%RSD=5.9)
ISTD 1,4-Difluorobenzene (%RSD=6.6) Surr Toluene D8 (%RSD=9.1)
ISTD Chlorobenzene D5 (%RSD=6.5) ISTD 1,4-Dichlorobenzene D4 (%RSD=6.8)
BFB 1-Bromo-4-fluorobenzene (%RSD=9.7)
Figure 5. ISTD/surrogate peak area %RSD across the samples in the evaluation period of six working days
Conclusions
The results of these experiments demonstrate that the
automated sample preparation capability of the TriPlus RSH
SMART VOC Sample Prep Station coupled to the ISQ 7610
GC-MS system provides an ideal solution for water testing
laboratories looking to improve productivity and deliver confident
results.
• Static headspace is a convenient solventless extraction
technique for volatiles in water with almost no sample
preparation required.
• Unattended operations of up to 210 samples can be achieved
with the automated calibration dilution and ISTD addition
workflows.
• The automated addition of fresh reagent just before the
incubation increases the stability of ISTD/surrogates mix,
therefore improving the accuracy of the quantitation of target
analytes during data reprocessing.
• The TriPlus RSH SMART VOC Sample Prep Station
ensures increased sample integrity for highly reliable
quantitative analysis, and reduced errors or possible
cross-contaminations, maximizing the productivity of the
laboratory. Additionally, it allows saving valuable analyst time
and improving safety by limiting the user’s exposure to toxic
chemicals.
• The integrated control for both autosampler and GC-MS in
a single CDS ensures a streamlined automated workflow
from on-line sample preparation to sequence setup, data
acquisition, and reporting.
• Suitability of headspace sampling for analysis of VOCs was
demonstrated with R2
> 0.990, RRF %RSD < 20%, and
calculated amount within 20% of the spiked concentration.
• Inter-day reproducibility was demonstrated by running
three batches of samples bracketed with QCs. Average
absolute peak area %RSD across the entire evaluation
period was <20%, the QC calculated amount was within
20% of the expected value, and the calculated recovery was
within 70–130%, with the only exception of 1,2-dibromo-3-
chloropropane for which the % recovery was 132.
• Reliable quantitative analysis was achieved for drinking
water samples and surface water samples analyzed in three
different batches across six working days. All the sample
results were compliant with the thresholds set by the current
EU regulation.
References
1. Environmental Protection Agency (U.S. EPA), What are volatile organic
compounds (VOCs), https://www.epa.gov/indoor-air-quality-iaq/
what-are-volatile-organic-compounds-vocs
2. Directive (EU) 2020/2184 of the European Parliament and of the Council of 16
December 2020 on the quality of water intended for human consumption,
EUR-Lex - 32020L2184 - EN - EUR-Lex (europa.eu)
3. Directive 2008/105/ec of the european parliament and of the council of 16 December
2008 on environmental quality standards in the field of water policy, https://eur-lex.
europa.eu/legal-content/EN/TXT/PDF/?uri=CELEX:32008L0105
4. Thermo Fisher Scientific, Technical Note 001218: Addressing gas conservation
challenges when using helium or hydrogen as GC carrier gas, https://assets.
thermofisher.com/TFS-Assets/CMD/Technical-Notes/tn-001218-gc-hesaver-h2safertrace1600-tn001218-na-en.pdf
8
Appendix 1. TriPlus RSH SMART VOC Sample Prep Station configuration and list of suggested
consumables
TriPlus RSH SMART VOC Sample Prep Station configuration* Part number
TriPlus RSH SMART VOC Sample Prep Station including: 1R77010-2010
• mounting brackets for TRACE 1600/1610 GC (P/N 1R77010-1005)
• one extra single leg for TRACE 1600/1610 GC, 667 mm (P/N 1R77010-1141)
• one Automatic Tool Change Station (ATC) Station (P/N 1R77010-1019)
• one universal liquid syringe tool, for syringes of 0.5, 1.0, 5, 10, 25, 50 or 100 μL with a 57 mm needle length
(P/N 1R77010-1007)
• two 100 μL SMART syringes, 57 mm needle length, 26S gauge, cone needle type (P/N 365H2141-SM)
• three tray holders (P/N 1R77010-1021)
• one VT54 tray, for 54 vials of 2 mL (P/N 1R77010-1023)
• one standard washing station with 5 x 10 mL vials (P/N 1R77010-1029)
• one large wash station for 2 × 100 mL solvent bottles and one waste position (P/N 1R77010-1030)
• one headspace tool for 2.5 mL syringe (P/N 1R77010-1013)
• two vial tray R60 aluminum tray for 60 vials of 10/20 mL (P/N 1R77010-1025)
• two VT 15 trays, for 15 vials of 10/20 mL (P/N 1R77010-1022)
• one Incubator/Agitator (P/N 1R77010-103)
• two HT 2.5 mL GT SMART syringes (P/N 365L2321-SM)
Suggested consumables Part number
Thermo Scientific™ GC SMART Gas tight syringe, 100 µL, Fixed needle, 57 mm length, 26s gauge, Cone 365H2161-SM
Thermo Scientific™ GC SMART Gas tight syringe, 2.5 mL, Fixed needle, 65 mm length, 23 gauge, Side hole 365L2321-SM
Thermo Scientific™ SureSTART™ 20 mL Glass screw top headspace vials, Level 2 High-Throughput Applications 6ASV20-1
Thermo Scientific™ SureSTART™ 18 mm Precision screw caps, Level 3 High Performance Applications 6PMSC18-ST2
TraceGOLD TG-624SilMS column, 20 m × 0.18 mm × 1.0 μm 26059-4950
Thermo Scientific™ Deactivated direct straight liner, 1.2 mm ID, 78.5 mm, 5/P 453A1335
*This configuration provides a 150-vial capacity.
For more details about orders and quotations, please refer to your Thermo Fisher Scientific sales representatives.
9
TriPlus RSH SMART VOC Sample Prep Station parameters (2)
Injection volume (µL) 1,000
Syringe temperature (°C) 80
Incubation temperature (°C) 60
Incubation time (min) 17
Agitation speed (rpm) 750
Sample vial penetration depth (mm) 25
Pre-filling sample vial TRUE
Pre-filling volume (%) 90
Sample fill speed
(incubation temperature) (µL/s) 100
Sample filling stokes counts 1
Sample filling stokes volume (mL) 1,000
Delay after filling strokes (s) 10
Sample post-aspirate delay (s) 0
Injector penetration depth (mm) 45
Injection speed (µL/s) 500
Pre-injection delay (s) 0
Post-injection delay (s) 0
Pre-injection syringe purge time (s) 5
Post-injection syringe purge time (s) 150
Analysis time (min) 25
Syringe Thermo Scientific™ GC SMART Gas
tight syringe, 2.5 mL
(P/N 365L2321-SM)
TRACE 1610 GC parameters (2)
Oven temperature program
Temperature (°C) 35
Hold time (min) 3
Rate (ºC/min) 12
Temperature 2 (°C) 85
Rate (ºC/min) 25
Temperature 3 (°C) 260
Hold time (min) 3
GC run time (min) 17.167
Oven equilibration time (min) 0.2
Ready delay (min) 1.2
Analytical column
TraceGOLD TG-624SilMS 20 m × 0.18 mm × 1.0 μm
(P/N 26059-4950)
TriPlus RSH SMART VOC Sample Prep Station parameters (1)
ISTD addition
ISTD volume (µL) 10
ISTD fill speed (µL/s) 2
ISTD dispense speed (µL/s) 5
ISTD rinsing cycles 1
ISTD rinsing volume (µL) 20
ISTD filling stokes cycles 4
ISTD filling stokes volume (µL) 20
Sample vial penetration depth (mm) 20
Syringe pre-cleaning cycles 1
Syringe pre-cleaning volume (methanol) 70%
Syringe post-cleaning cycles 1
Syringe post-cleaning volume (isopropanol) 70%
Calibration reagent
Reagent volume (µL) According to table in Appendix
3
Reagent fill speed (µL/s) 10
Reagent dispense speed (µL/s) 25
Reagent rinsing cycles 1
Reagent rinsing volume (µL) Reagent volume
Reagent filling stokes cycles 4
Regaent filling stokes volume (µL) Reagent volume
Sample vial penetration depth (mm) 20
Syringe pre-cleaning cycles 1
Syringe pre-cleaning volume (methanol) 70%
Syringe post-cleaning cycles 1
Syringe post-cleaning volume (isopropanol) 70%
Syringe Thermo Scientific™ GC SMART
Gas tight syringe, 100 µL
(P/N 365H2161-SM)
Appendix 2. Instrument parameters and list of the target compounds, including quantifier and qualifier ion
TRACE 1610 GC parameters (1)
iC-SSL HeSaver - H2Safer
Temperature (°C) 80
Liner SSL direct straight liner
(P/N 453A1335)
Inlet module and mode SSL upgraded to HeSaver - H2
Safer, split
Split flow (mL/min) 10
Septum purge flow (mL/min) 5, constant
Hydrogen delay (min) 0.15
Carrier gas, flow (mL/min) He, 0.3
TriPlus RSH SMART VOC Sample Prep Station parameters
TRACE 1610 GC parameters
10
Compound name
RT
(min)
Quantitation
ion
(m/z)
Confirming
ion 2
(m/z)
Confirming
ion 3
(m/z)
Dichlorodifluoromethane 1.54 85 87
Chloromethane 1.72 50 52
Vinyl chloride 1.88 62 64
Chloroethane 2.47 64 66
Trichlorofluoromethane 2.82 101 103
1,1-dichloroethene 3.58 61 96 63
Methylene chloride 4.3 84 86 49
1,2-Dichloroethene (Z cis) 4.65 96 61 98
1,1 Dichloroethane 5.22 63 65
1,2-Dichloroethene (E) 5.94 96 91 98
Bromochloromethane 6.18 49 130 128
Chloroform
(Trichloromethane) 6.39 83 85
2,2-Dichloropropene 6.51 61 99
1,1,1,-Trichloroethane 6.53 97 61
Surr
Dibromofluoromethane 6.53 111 113 192
ISTD Pentafluorobenzene 6.58 168 99 137
Carbon tetrachloride 6.69 117 119
Benzene 6.94 78 77
1,2-dichlroethane 7.01 62 64 98
ISTD 1,4-Difluorobenzene 7.44 114 63
Trichloroethene 7.67 95 130 97
1,2-Dichloropropane 7.94 63 112
Dibromomethane 8.02 93 95 174
Bromodichloromethane 8.2 83 85
Surr Toluene D8 8.82 98 100
1,3-Dichloropropene (Z) 8.87 39 75 77
Toluene 8.89 91 92
1,1,2-Trichloroethane 9.24 83 97 85
Tetrachloroethene 9.31 164 129 131
1,3-Dichloropropane 9.38 76 78
Dibromochloromethane 9.54 129 127
ISQ 7610 mass spectrometer parameters
Transfer line temperature (°C) 270
Ion source type and temperature (°C) Thermo Scientific™ ExtractaBrite™, 280
Ionization type EI
Emission current (µA) 50
Aquisition mode SIM
Tuning parameters BFB Tune
Compound name
RT
(min)
Quantitation
ion
(m/z)
Confirming
ion 2
(m/z)
Confirming
ion 3
(m/z)
1,2-Dibromoethane 9.64 107 109
ISTD Chlorobenzene D5 9.99 117 119
Chlorobenzene 10.02 112 77 114
1,1,1,2-Tetrachloroethane 10.08 131 133 119
Ethylbenzene 10.08 91 106
m,p-Xylene 10.18 91 106
o-Xylene 10.47 91 106
Styrene 10.48 78 103 104
Bromoform 10.62 173 175 254
Isopropylbenzene (Cumene) 10.72 105 120
BFB 1-Bromo-4-
fluorobenzene 10.85 95 174 176
1,1,2,2-tetrachloroethane 10.95 83 131 85
1,2,3-Trichloropropane 10.95 77 75
Bromobenzene 10.96 156 77 158
1,3,5-Trimethylbenzene 11 120 105
n-Propylbenzene 11.02 91 120 92
2-Chlorotoluene 11.09 126 91
4-Chlorotoluene 11.16 126 91
tert-Butylbenzene 11.36 119 91 134
1,2,4-Trimethylbenzene 11.4 105 120
sec-Butylbenzene 11.51 105 134
4-Isopropyltoluene
(p-Cymene) 11.6 119 134
1,3-Dicholorobenzene 11.6 146 111 148
ISTD 1,4-Dichlorobenzene
D4 11.64 150 152
1,4-Dicholorobenzene 11.67 146 111 148
n-Butylbenzene 11.89 91 92 134
1,2-Dibromo-3-
chloropropane 12.5 157 155
1,2,4-Trichlorobenzene 12.95 180 182 145
Hexachlorobutadiene 13.03 225 223 227
Naphtalene 13.11 128
1,2,3-Trichlorobenzene 13.27 180 182 145
11
Appendix 3. Schematics for automated calibration curve preparation
Calibration level
Concentration in vial
(ng/mL)
Bulk calibration
solution (µg/mL)
Spiking amount
(µL)
ISTD / Surrogate
concentration in vial
(ng/mL)
Bulk ISTD /
Surrogate solution
(µg/mL)
ISTD/ Surrogate
spiking amount (µL)
Blank --
1 0.1 0.02 50 20 / 25 20 / 25 10
2 0.2 0.02 100 20 / 25 20 / 25 10
3 0.5 0.2 25 20 / 25 20 / 25 10
4 1 0.2 20 20 / 25 20 / 25 10
5 2 0.2 100 20 / 25 20 / 25 10
6 5 2 25 20 / 25 20 / 25 10
7 10 2 50 20 / 25 20 / 25 10
8 20 2 100 20 / 25 20 / 25 10
9 50 20 25 20 / 25 20 / 25 10
10 100 20 50 20 / 25 20 / 25 10
Appendix 4. Coefficient of determination (R2
), relative response factor (RRF) %RSD, calculated amount (ng/mL)
and absolute peak area %RSD at MDL (0.5 ng/mL, n=10)
Peak name RT (min)
Linear range
(ng/mL) R2 AvCF %RSD RRF% RSD
Calculated MDL
(ng/mL)
Absolute peak area
%RSD at MDL (n=10)
Dichlorodifluoromethane 1.53 2-100 0.999 5 15.2 0.11 5.6
Chloromethane 1.73 2-100 0.998 6 14.4 0.17 6.8
Vinyl chloride 1.89 0.1-100 0.999 4.3 16.6 0.04 5
Chloroethane 2.47 0.1-100 1 3.6 9.3 0.04 4.5
Trichlorofluoromethane 2.82 1-100 0.999 4.2 13.9 0.1 4.9
1,1-Dichloroethene 3.57 0.1-100 0.999 6.4 9.5 0.02 4.1
Methylene chloride 4.28 0.1-100 0.999 4 15.4 0.03 2.9
1,2-Dichloroethene (Z) 4.65 0.1-100 0.998 7 10.4 0.02 3.5
1,1-Dichloroethane 5.22 0.1-100 0.999 5 9.8 0.02 3.2
1,2-Dichloroethene (E) 5.93 0.1-100 0.998 7.2 10.8 0.02 4
Bromochloromethane 6.2 0.1-100 1 3.3 9.2 0.04 3.1
Chloroform (Trichloromethane) 6.35 0.1-100 1 3.5 19 0.03 3
1,1,1-Trichloroethane 6.51 0.1-100 0.999 4.9 10.8 0.01 2.5
2,2-Dichloropropene 6.52 0.1-100 0.999 3.8 12.2 0.04 4.2
Surr Dibromofluoromethane 6.53 -- -- -- -- -- 3.3
ISTD Pentafluorobenzene 6.58 -- -- -- -- -- 3.6
Carbon tetrachloride 6.69 0.1-100 0.999 4.7 10.6 0.02 3.1
Benzene 6.93 0.1-100 0.999 6.5 10.8 0.01 3.3
1,2-Dichloroethane 7 0.1-100 0.999 4.1 10.6 0.03 3.7
ISTD 1,4-Difluorobenzene 7.43 -- -- -- -- -- 4
Trichloroethene 7.67 0.5-100 0.999 4.8 12.6 0.02 3.7
1,2-Dichloropropane 7.93 0.1-100 0.999 5.2 9.7 0.02 3.5
Dibromomethane 8.01 0.1-100 0.999 3.6 11.5 0.05 4.1
Bromodichloromethane 8.19 0.1-100 0.999 3.7 10 0.04 3
Surr Toluene D8 8.82 -- -- -- -- -- 4.1
1,3-Dichloropropene (Z) 8.87 0.5-100 0.999 5.1 14.5 0.08 5
Toluene 8.87 0.2-100 0.997 7.7 13.4 0.12 6.2
Continued on next page
12
Peak name RT (min)
Linear range
(ng/mL) R2 AvCF %RSD RRF% RSD
Calculated MDL
(ng/mL)
Absolute peak area
%RSD at MDL (n=10)
1,1,2-Trichloroethane 9.24 0.1-100 0.999 3.7 10.6 0.05 4.7
Tetrachloroethene 9.3 0.2-100 0.999 5.2 15.6 0.03 4.5
1,3-Dichloropropane 9.37 0.1-100 0.999 4.1 10.3 0.02 4.5
Dibromochloromethane 9.54 0.1-100 0.999 4.4 12.3 0.03 5.2
1,2-Dibromoethane 9.63 0.1-100 0.999 3.9 12.9 0.04 4.2
ISTD Chlorobenzene D5 9.99 -- -- -- -- -- 4.1
Chlorobenzene 10.01 0.1-100 0.998 7.1 10.8 0.01 4.7
1,1,1,2-Tetrachloroethane 10.08 0.1-100 0.999 4.9 11.3 0.06 3.3
Ethylbenzene 10.08 0.1-100 0.994 13.7 15 0.01 4.1
m,p-Xylene 10.18 0.2-50 0.99 17.3 12 0.01 4.9
o-Xylene 10.46 0.1-100 0.995 12.3 17.9 0.01 4.9
Styrene 10.47 0.2-100 0.995 12.6 18.2 0.01 4.5
Bromoform 10.61 0.1-100 0.999 6.1 13 0.07 6.7
Isopropylbenzene (Cumene) 10.72 0.1-100 0.999 4.4 10.3 0.02 4.1
BFB 1-Bromo-4-fluorobenzene 10.85 -- -- -- -- -- 4.6
1,1,2,2-tetrachloroethane 10.94 0.5-100 0.999 3.7 10.5 0.18 9.7
Bromobenzene 10.96 0.1-100 0.996 9.1 17.7 0.06 5.1
1,2,3-Trichloropropane 10.96 0.2-100 0.999 4.9 18.6 0.02 4.5
n-Propylbenzene 11.01 0.1-100 0.999 4.8 10.1 0.02 4.5
1,3,5-Trimethylbenzene 11.01 0.1-100 0.999 4.3 10.5 0.03 4.8
2-Chlorotoluene 11.08 0.1-100 0.998 6.6 10.3 0.05 5.1
4-Chlorotoluene 11.17 0.2-100 0.998 6.3 12.8 0.05 5.7
tert-Butylbenzene 11.35 0.1-100 0.999 4.9 10.9 0.05 5.3
1,2,4-Trimethylbenzene 11.39 0.1-100 0.999 4.9 12.5 0.03 6.7
sec-Butylbenzene 11.5 0.1-100 0.999 4.8 10.2 0.01 4.2
4-Isopropyltoluene (p-Cymene) 11.6 0.1-100 0.999 4.9 12.9 0.02 5.2
1,3-Dicholorobenzene 11.6 0.2-100 0.993 12.5 15.2 0.04 5.4
ISTD 1,4-Dichlorobenzene D4 11.65 -- -- -- -- -- 4.2
1,4-Dicholorobenzene 11.67 0.2-100 0.993 12.2 13.7 0.05 5.4
n-Butylbenzene 11.88 0.1-100 0.999 4.7 10.7 0.02 5.1
1,2-Dichlorobenzene 11.92 0.2-100 0.994 11.1 12 0.04 4.3
1,2-Dibromo-3-chloropropane 12.42 0.2-50 0.99 13.6 14.1 0.06 3.4
1,2,4-Trichlorobenzene 12.95 1.0-100 0.997 7.9 17.6 0.15 10.1
Hexachlorobutadiene 13.03 0.1-50 0.993 11.2 13 0.04 3
Naphtalene 13.13 0.2-100 0.998 6 17.7 0.06 6.4
1,2,3-Trichlorobenzene 13.27 1.0-100 0.997 7.6 19.3 0.11 8.2
Appendix 4. Continued from previous page
13
Appendix 5. QC absolute peak area %RSD as well QC calculated amount deviation with respect to batch 1 and
% recovery obtained injecting three batch of samples over a period of six working days
Peak name RT (min)
QC delta respect to
batch 1
QC delta respect to
batch 1 QC % Recovery
QC absolute peak area
%RSD (n=18)
Dichlorodifluoromethane 1.53 1 1.8 80 9.4
Chloromethane 1.73 0.6 0.8 98 8
Vinyl chloride 1.89 0.8 1 94 8.7
Chloroethane 2.47 0.6 0.8 102 5.8
Trichlorofluoromethane 2.82 0.6 0.7 101 4.4
1,1-Dichloroethene 3.57 0.4 0.4 94 4.8
Methylene chloride 4.28 -2.8 -2.7 118 18.5
1,2-Dichloroethene (Z) 4.65 0.4 0.4 94 4.5
1,1-Dichloroethane 5.22 0.4 0.5 103 3.3
1,2-Dichloroethene (E) 5.93 0.4 0.4 95 5.6
Bromochloromethane 6.2 0.3 0.5 108 5.3
Chloroform (Trichloromethane) 6.35 0.4 0.5 109 4
1,1,1-Trichloroethane 6.51 0.4 0.4 104 4
2,2-Dichloropropene 6.52 0.4 0.4 107 3.1
Surr Dibromofluoromethane 6.53 0.4 0.2 103 1.8
ISTD Pentafluorobenzene 6.58 0 0 100 3.4
Carbon tetrachloride 6.69 0.3 0.3 100 4.6
Benzene 6.93 0.3 0.3 90 5.9
1,2-Dichloroethane 7 0.5 0.5 106 6.8
ISTD 1,4-Difluorobenzene 7.43 0 0 100 3.9
Trichloroethene 7.67 0.1 0.2 98 5.1
1,2-Dichloropropane 7.93 0.4 0.4 102 7.4
Dibromomethane 8.01 0.3 0.5 106 4.8
Bromodichloromethane 8.19 0.3 0.5 107 3.9
Surr Toluene D8 8.82 -0.1 0 100 7.2
1.3-Dichloropropene (Z) 8.87 0.1 0 97 6.3
Toluene 8.87 0.3 0.3 87 6.1
1,1,2-Trichloroethane 9.24 0.3 0.7 108 4.8
Tetrachloroethene 9.3 0.6 0.6 97 4.9
1,3-Dichloropropane 9.37 0.4 0.4 103 3.5
Dibromochloromethane 9.54 0.3 0.5 105 4.1
Continued on next page
14
Peak name RT (min)
QC delta respect to
batch 1
QC delta respect to
batch 1 QC % Recovery
QC absolute peak area
%RSD (n=18)
1,2-Dibromoethane 9.63 0.5 0.6 106 4.7
ISTD Chlorobenzene D5 9.99 0 0 100 3.4
Chlorobenzene 10.01 0.3 0.4 92 5.3
1,1,1,2-Tetrachloroethane 10.08 0.3 0.5 99 3.8
Ethylbenzene 10.08 0.2 0.1 76 7.7
m,p-Xylene 10.18 0 0 77 7.9
o-Xylene 10.46 0.1 0 71 7.6
Styrene 10.47 -0.1 -0.2 71 10
Bromoform 10.61 0.3 0.5 99 5.3
Isopropylbenzene (Cumene) 10.72 0.2 0 98 7.8
BFB 1-Bromo-4-fluorobenzene 10.85 0.2 0.3 97 6.9
1,1,2,2-tetrachloroethane 10.94 0.7 0.7 108 3.7
Bromobenzene 10.96 0.6 0.7 121 7.7
1,2,3-Trichloropropane 10.96 -0.1 0.1 89 4.2
n-Propylbenzene 11.01 0.3 0.1 100 7.7
1,3,5-Trimethylbenzene 11.01 0.1 0 91 7.7
2-Chlorotoluene 11.08 0.2 0 101 6.9
4-Chlorotoluene 11.17 0.1 -0.1 100 6.3
Tert-butylbenzene 11.35 0 -0.2 95 8.3
1,2,4-Trimethylbenzene 11.39 0.2 -0.1 88 8.6
sec-Butylbenzene 11.5 0.4 0 94 8.1
4-Isopropyltoluene (p-Cymene) 11.6 0 -0.4 88 8.2
1,3-Dicholorobenzene 11.6 -0.8 0.2 121 4
ISTD 1,4-Dichlorobenzene D4 11.65 0 0 100 2.4
1,4-Dicholorobenzene 11.67 0.4 0.4 125 4.1
n-Butylbenzene 11.88 0.2 -0.2 99 8
1,2-Dichlorobenzene 11.97 0.3 0.4 127 4.1
1,2-Dibromo-3-chloropropane 12.42 0.1 0.3 132 3.6
1,2,4-Trichlorobenzene 12.95 0.2 0.3 120 6.3
Hexachlorobutadiene 13.03 0.6 0.5 125 5.5
Naphtalene 13.13 0.2 0.4 113 7.2
1,2,3-Trichlorobenzene 13.27 0 0.1 116 5.8
Appendix 5. Continued from previous page
15
Appendix 6. Results obtained for analysis of tap water samples (three locations) and surface water samples
(two locations)
Drinking water samples
(ng/mL)
Surface water samples
(ng/mL)
Peak name RT (min) 1 2 3 Limits2
(ng/mL) 1 2 Limits3
(ng/mL)
Dichlorodifluoromethane 1.53 < MDL < MDL < MDL < MDL <MDL
Chloromethane 1.73 -- -- -- -- --
Vinyl chloride 1.89 -- -- -- 0.5 < MDL < MDL
Chloroethane 2.47 -- -- -- -- --
Trichlorofluoromethane 2.82 0.13 -- -- -- --
1,1-Dichloroethane 3.57 -- 0.06 -- 0.07
Methylene chloride 4.28 0.23 0.23 0.27 0.26 0.23
1,2-Dichloroethene (Z) 4.65 -- -- -- -- --
1,1 Dichloroethane 5.22 -- 0.02 0.02 -- 0.02
1,2-Dichloroethene (E) 5.93 -- 0.17 0.05 -- 0.2
Bromochloromethane 6.2 -- -- -- -- --
Chloroform (Trichloromethane) 6.35 0.06 0.07 < MDL 100** 0.03 0.08 2.5
1,1,1,-Trichloroethane 6.51 -- 0.04 -- -- 0.05
2,2-Dichloropropene 6.52 -- -- -- -- --
Carbon tetrachloride 6.69 -- -- -- -- -- 12
Benzene 6.93 -- -- -- 1 -- -- 50
1,2-Dichloroethane 7 -- -- -- 3 -- -- 10
Trichloroethene 7.67 0.13 0.12 -- 10* -- 0.14
1,2-Dichloropropane 7.93 -- -- -- -- --
Dibromomethane 8.01 -- -- -- -- -- 20
Bromodichloromethane 8.19 -- -- -- 100** -- --
1,3-Dichloropropene (Z) 8.87 -- -- -- -- --
Toluene 8.87 0.13 0.14 0.12 0.17 0.12
1,1,2-Trichloroethane 9.24 -- -- -- -- --
Tetrachloroethene 9.3 0.09 1.28 < MDL 10* -- 1.42
1,3-Dichloropropane 9.37 -- -- -- -- --
Dibromochloromethane 9.54 -- -- -- 100** -- --
* = Sum of tetrachloroethene and trichloroethene
** = Sum of chloroform, bromoform, dibromochloromethane, and bromodichloromethane
Continued on next page
16
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Drinking water samples
(ng/mL)
Surface water samples
(ng/mL)
Peak name RT (min) 1 2 3 Limits2
(ng/mL) 1 2 Limits3
(ng/mL)
1,2-Dibromoethane 9.63 -- -- -- -- --
Chlorobenzene 10.01 0.01 0.01 0.01 0.01 0.01
1,1,1,2-Tetrachloroethane 10.08 -- -- -- -- --
Ethylbenzene 10.08 0.01 0.01 0.01 0.01 0.01
m,p-Xylene 10.18 0.01 0.01 0.01 0.01 0.01
o-Xylene 10.46 0.01 0.01 0.01 0.01 0.01
Styrene 10.47 -- -- -- 0.02 --
Bromoform 10.61 -- -- -- 100** -- --
Isopropylbenzene (Cumene) 10.72 -- -- -- -- --
1,1,2,2-Tetrachloroethane 10.94 -- -- -- -- --
Bromobenzene 10.96 -- -- -- -- --
1,2,3-Trichloropropane 10.96 -- -- - -- --
n-Propylbenzene 11.01 < MDL < MDL < MDL < MDL 0.02
1,3,5-Trimethylbenzene 11.01 < MDL < MDL -- < MDL < MDL
2-Chlorotoluene 11.08 -- -- -- -- --
4-Chlorotoluene 11.17 -- -- -- -- --
tert-Butylbenzene 11.35 -- -- -- -- --
1,2,4-Trimethylbenzene 11.39 < MDL < MDL < MDL < MDL < MDL
sec-Butylbenzene 11.5 -- -- -- -- --
4-Isopropyltoluene (p-Cymene) 11.6 < MDL < MDL < MDL -- < MDL
1,3-Dicholorobenzene 11.6 < MDL < MDL < MDL < MDL < MDL
1,4-Dicholorobenzene 11.67 < MDL < MDL < MDL < MDL < MDL
n-Butylbenzene 11.88 < MDL < MDL < MDL < MDL 0.02
1,2-Dichlorobenzene 11.92 < MDL < MDL <MDL < MDL < MDL
1,2-Dibromo-3-chloropropane 12.42 -- -- -- -- --
1,2,4-Trichlorobenzene 12.95 < MDL < MDL < MDL < MDL < MDL 0.4
Hexachlorobutadiene 13.03 < MDL < MDL < MDL < MDL 0.01 0.6
Naphtalene 13.13 0.1 0.08 0.07 0.08 0.07 1.2
1,2,3-Trichlorobenzene 13.27 < MDL < MDL < MDL < MDL < MDL 0.4
* = Sum of tetrachloroethene and trichloroethene
** = Sum of chloroform, bromoform, dibromochloromethane, and bromodichloromethane
Appendix 6. Continued from previous page
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