Full Scan Quantitative Analysis of Semivolatile Organic Compounds
Application Note
Environmental
Authors
Anastasia A. Andrianova and
Bruce D. Quimby
Agilent Technologies, Inc.
Abstract
The Agilent 7000D triple quadrupole GC/MS system (GC/TQ) operating in full scan
data acquisition mode was used for the quantitative analysis of semivolatile organic
compounds (SVOCs) in environmental samples. Under appropriately selected
operating conditions, the GC/TQ system was shown to provide excellent spectral
library matching scores, high sensitivity, and linearity over a wide dynamic range.
The retention time locking (RTL) functionality enabled the same retention times with
the GC/TQ and the GC/MSD systems, hence, simplifying the review process. This
application note provides the guidelines for data acquisition and processing with
GC/TQ operating in full scan data acquisition mode. Following these guidelines,
the full scan performance of the GC/TQ was comparable to that of the single
quadrupole GC/MSD system when tested for the analysis of SVOCs over a working
range of 0.4 to 100 ppm.
Full Scan Quantitative Analysis of
Semivolatile Organic Compounds
Evaluating the performance of an Agilent 7000D
GC/TQ in full scan data acquisition mode for
SVOCs analysis
2
Introduction
The analysis of SVOCs by GC/MS is
challenging due to the array of target
analytes, including bases, neutrals,
and acids that span broad molecular
weight and boiling point ranges. EPA
Method 8270D/E provides guidelines
for conditions and quality control
checks to facilitate successful analysis
of SVOCs using GC/MS.1 A previous
application note2 describes the use of
the Agilent 5977 GC/MSD operated
in full scan data acquisition mode,
coupled to the Agilent 7890B GC, to
meet the performance requirements
and be in compliance with USEPA
Method 8270D/E with calibration over
a working range of 0.2 to 160 ppm in
a single method. EPA 8270E revision 6
was the first version of the method to
include use of GC/MS/MS (GC/TQ) for
the analysis of SVOCs. GC/TQ operated
in multiple reaction monitoring (MRM)
mode delivers increased sensitivity, high
selectivity afforded by MRM, robust
data, and faster batch review due to
the elimination of matrix interferences
compared to GC/MSD as demonstrated
in a previous application note.3 If needed
for a standard operating procedure
(SOP), method validation, or sample
screening, the GC/TQ can also be used in
full scan data acquisition mode.
This study demonstrates that the
7000D GC/TQ system operating in
full scan mode can be used to identify
compounds using spectral library
matching, with comparable performance
to GC/MSD. This application note
outlines the best practices for full scan
data acquisition and processing using
GC/TQ. The objective was to achieve
excellent spectral library matching
scores over 90, high sensitivity with limits
of detection (LODs) at or below 50 ppb
for most compounds, and linearity over a
wide dynamic range of 0.4 to 100 ppm.
Experimental
The GC/TQ and GC/MSD systems
used in this work were configured to
achieve the best performance for the
analysis of SVOCs as described in two
previous studies.2,3 The Agilent 7890B
GC was coupled to either a 7000D
GC/TQ or a 5977 Series GC/MSD, both
equipped with an Inert Plus EI source,
as shown in Figure 1A. The GC was
equipped with a split/splitless (SSL)
inlet, low pressure‑drop (LPD) GC inlet
liner (part number 5190‑2295) shown
in Figure 1B, and a 30 m × 0.25 mm,
0.25 μm 5 % phenyl (polysiloxane)
column for best separation
(part number DB‑UI 8270D). The
instrument operating parameters are
listed in Table 1.
The 9 mm diameter extractor lens
(part number G3870‑20449) was used
with both the GC/TQ and GC/MSD
systems, as the lens was shown to
greatly enhance method performance in
SVOCs analysis.3
The injection volume was 1 µL in split
mode, with a split ratio of 10:1 for GC/TQ,
and pulsed split mode, with a split
ratio of 5:1 for GC/MSD. The split ratio
was optimized to meet the resolution
requirement for benzo[b]fluoranthene
and benzo[k]fluoranthene as specified
in method 8270. The TQ was tuned
with Atunes.eiex.tune.xml and the MSD
was tuned with Atune.u. The electron
multiplier gain setting was set to 1 for
the GC/TQ and 0.3 for the GC/MSD.
These settings ensured that the tallest
peak in the base peak chromatogram
(BPC) for the highest‑level calibration
standard used was in the range of
3 to 6 × 107 counts for GC/TQ and 3 to
6 ×106 counts for GC/MSD.
Figure 1. (A) Configuration of the Agilent 7890/7000D GC/TQ or Agilent 7890/5977 Series GC/MSD.
(B) Ultra Inert (UI) Universal Low Pressure Drop Liner (part number 5190‑2295).
9 mm extractor
lens
Agilent 7890 GC
Agilent 7000D TQ
or
Agilent 5977
Series MSD
Liquid
injector
S/SL inlet
(helium)
EI Source
30 m × 250 µm id, 0.25 µm df
DB-8270D UI (p/n 122-9732)
A
B
3
Table 1. Gas chromatograph and mass spectrometer conditions for SVOCs analysis using GC/TQ and
GC/MSD.
GC/TQ
GC/MSD
GC
Model
Agilent 7890 with fast oven, autoinjector, and tray
Inlet
Split/splitless inlet (SSL)
Mode
Split
Pulsed Split
Split Ratio
10:1
5:1
Injection Pulse Pressure
—
30 psi until 0.6 min
Septum Purge Flow
3 mL/min
Injection Volume
1.0 µL
Injection Type
Standard
L1 Air Gap
0.2 µL
Inlet Temperature
280 °C
Carrier Gas
Helium
Inlet Liner
Agilent universal low pressure drop liner, with glass wool (p/n 5190-2295)
Oven
Gradient
40 °C, hold 0.5 min,
10 °C/min to 100 °C,
25 °C/min to 260 °C,
5 °C/min to 280 °C
Total Run Time
21.567 min
Postrun Time
0 min
Equilibration Time
0.5 min
Column 1
Type
Agilent DB-8270D UI, 30 m × 0.25 mm, 0.25 µm (p/n 122-9732)
Control Mode
Constant flow
Flow
0.992 mL/min
1.292 mL/min
Inlet Connection
Split/splitless inlet (SSL)
Outlet Connection
MSD
MS
Model
Agilent 7000D TQ
Agilent 5977 Series MSD
Source
Agilent Inert Extractor Source with a 9 mm extractor lens
Extraction Lens
9 mm (p/n G3870-20449)
Vacuum Pump
Performance turbo
Tune File
Atunes.eiex.tune.xml
Atune.u
Mode
MS1 Scan
Scan
Start Mass
35
End Mass
500
Scan Speed
220 ms
N = 2
Time Filter
On
—
Solvent Delay
2.5 min
EM Voltage Gain Mode
1
0.3
Quad Temperature
(MS1 and MS2)
150 °C
180 °C
Source Temperature
300 °C
Transfer line Temperature
320 °C
He Quench Gas
2.25 mL/min
—
N
2 Collision Gas
1.5 mL/min
—
4
For GC/TQ full scan acquisition mode,
the following parameters were selected:
MS1 Scan, 35 to 500 m/z, 220 ms
scan speed, time filter – ON. These
parameters were set in the TQ MS
method editor of Agilent MassHunter
workstation software, as shown in
Figure 2. The default parameters
were used for collision cell gases,
i.e., 2.25 mL/min and 1.5 mL/min
for He quench gas and N
2 collision
gas, respectively.
For GC/TQ analysis in full scan data
acquisition mode, 12 calibration levels
were prepared from 0.4 to 100 ppm
using a 68‑compound mix and
six internal standards (ISTDs). ISTD
concentration was at the midpoint, at
20 ppm. LODs were calculated using a
0.5 ppm calibration standard injected
in a split mode with a split ratio of 10:1,
nine consecutive times. MassHunter
workstation software was used for data
acquisition and processing.
Results and discussion
The use of GC/TQ operated in MRM for
EPA 8270E SVOCs analysis is described
in a previous application note.3 The
aim of this study was to show that the
Agilent 7000D GC/TQ system operating
in full scan mode can be used to identify
compounds using spectral library
matching and quantitate them, with
comparable performance to GC/MSD.
This application note outlines the best
practices for full scan data acquisition
and processing using GC/TQ.
The performance of GC/TQ operated
in full scan acquisition mode for
SVOCs analysis was compared to that
of GC/MSD operating in scan mode.
Figure 3 shows a total ion chromatogram
(TIC) for full scan data acquired with
GC/TQ for a 1 ppm standard with a 10:1
Figure 2. TQ MS Method Editor showing the full scan acquisition parameters used in this work.
Figure 3. Scan TIC for a 1 ppm standard with a 10:1 split (0.1 ng on‑column) analyzed with Agilent 7890/7000D GC/TQ (top). Scan TIC for a 0.5 ppm standard with
a 5:1 pulsed split (0.1 ng on‑column) analyzed with Agilent 7890/5977 Series GC/MSD (bottom).
-0.2
0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
1.6
+EI TIC Scan 1 ppm_SP 10-1_MS1 Scan.D
0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
+ TIC Scan 0pt5_9mm-PS5_gn1.D
Agilent 7000D GC/TQ
Agilent 5977 Series GC/MSD
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
×102
×102
Acquisition time (min)
Counts (%
)C
ounts (%
)
5
split (0.1 ng on‑column). A TIC acquired
in scan with GC/MSD for a 0.5 ppm
standard with a 5:1 pulsed split (0.1 ng
on‑column) is also shown in Figure 3.
Agilent RTL technology enables the same
retention times for all target analytes
between different Agilent GC/MS
systems.4 RTL is achieved by making
an adjustment to column flow, so that
the retention times on one system can
be maintained after maintenance. RTL
also allows close matching between
instruments using the same nominal
column, as shown in Figure 3.
Spectral fidelity with GC/TQ in full
scan mode
Excellent spectral library match scores
(LMS) for all SVOCs were observed
with GC/TQ in full scan data acquisition
mode against the NIST spectral library,
as shown in Figure 4. To obtain the LMS
values, a 10 ppm standard analyzed
with a 10:1 GC inlet split was processed
with MassHunter Unknowns Analysis
software against the NIST spectral
library. The observed LMS values are
comparable to those obtained with
GC/MS, with an average LMS of 95 for all
74 compounds. The results demonstrate
that GC/TQ system can be used for
sample screening to identify compounds
using spectral library matching.
Figure 4. Library match score (LMS) against the NIST spectral library. Blue bars: results for a 10 ppm standard analyzed with Agilent 7890/7000D GC/TQ with a
10:1 split (1 ng of each component on‑column). Gray bars: results for a 5 ppm standard analyzed with Agilent 7890/5977 Series GC/MSD with a 5:1 pulsed split (1
ng of each component on‑column) in full scan data acquisition mode.
0
10
20
30
40
50
60
70
80
90
100
N-
Nitros
odimethylamine
Pyridine Phenol An
ilin
e
bi
s(2-Chloroeth
yl
) et
he
r
Phenol
, 2-
chlo
ro
-
Benzene, 1,3-dichloro
-
1,4-Dichlorobenzene-
D4
Benzene, 1,4-dichloro
-
Benzyl alcoho
l
Benzene, 1,2-dichloro
-
Phenol
, 2-
methyl
-
bi
s(2-Chloroisopropyl) ethe
r
p-C
re
so
l
Et
ha
ne
, hexa
ch
loro
-
Benzene, nitro-
Isophorone
Phenol
, 2-
ni
tro-
Phenol
, 2,
4-di
methyl
-
Me
th
ane,
bi
s(2-chloroethox
y)
-
Phenol
, 2,
4-di
ch
loro
-
Benzene,1,2,
4-tr
ichloro-
Na
ph
thalene-D8
Na
ph
thalen
e
p-Chloroanilin
e
1,3-Butadiene, 1,1,2,3,4,4-hexachloro
-
Phenol
, 4-
chlo
ro-3-methyl-
Na
ph
thalene, 2-
me
thyl
-
Hexa
chlorocy
cl
op
enta
di
en
e
Phenol
, 2,
4,5-trichloro-
Phenol
, 2,
4,6-trichloro-
Na
ph
thalene, 2-chlo
ro
-
o-Nitroanilin
e
Dime
thyl phthalat
e
Benz
en
e, 2-meth
yl-1,3
-d
initro
-
Acen
aphthylene
m
-Nitroanilin
e
Acen
aphthene-d10 Acen
aphthene
Phenol
, 2,
4-di
nitr
o-
Phenol
, 4-
ni
tro-
Benz
en
e, 1-meth
yl-2,4
-d
initro
-
Dibenzofuran
Di
et
hyl Ph
thalat
e
Fl
uo
rene
Benzene, 1-chloro-4-phenoxy
-
Phenol
, 2-
methyl, 4,6-dinitro-
N-
Nitros
odiphenylamine
Az
ob
en
ze
ne
Benzene, 1-bromo-4-phenoxy-
Benz
en
e, he
xachlo
ro
-
Phenol
, pe
ntac
hl
or
o-
Phenanthrene-D10
Phenanthrene
An
th
ra
cene
Carb
az
ol
e
Dibutyl phthalat
e
Fl
uo
ranthene
Pyrene
Benzyl butyl phthalat
e
Benz[a]anthracen
e
Ch
ry
se
ne
-D12
Ch
ry
se
ne
bi
s(2-Ethylhexyl)
phthalat
e
Di
-n
-octyl phth
al
at
e
Benzo[b]fluoranthene Benzo[k]fluoranthene
Benzo[a]pyrene
Perylene
-D
12
Indeno[1,2,3-cd]pyrene Dibenz[a,h]anthracen
e
Benzo[ghi]perylene
Libr
ary ma
tc
h scor
e ag
ains
t NIST
TQ Scan
MSD
6
Analyzing GC/TQ full scan data
against GC/MSD RTL library
The LMS values shown in Figure 4 were
obtained when analyzing the sample
against the NIST library. However, the
sample can also be analyzed against
the custom‑built retention time‑locked
SVOCs library that was created using
full scan data for an EPA 8270 SVOCs
standard acquired with GC/MSD or
GC/TQ. The advantage of analyzing the
GC/TQ full scan sample against the
custom library is that the compound hits
can be filtered based on their retention
times.5 The RTL functionality provided
the same retention times with the
7890/7000D GC/TQ and the 7890/5977
Series GC/MSD (Figure 3). Therefore,
when the GC/TQ full scan sample was
analyzed against the library built with the
GC/MSD data, the compound hits could
be filtered based on their retention times,
simplifying the review process.
Figure 5 shows the Unknowns Analysis
window for a sample analyzed with
GC/TQ in full scan mode against a
spectral library built in‑house using
GC/MSD SVOCs analysis results. The
average LMS for all 74 compounds was
95, which is the same as the average
LMS observed when searching the
spectra acquired with GC/TQ against the
NIST spectral library.
The components table in Figure 5 shows
the identified components arranged in
elution order, the match factor against
the custom SVOCs library built with
GC/MSD data, the component areas, and
the delta RT. Delta RT is the difference
between the observed retention time and
the retention time for the target in the
library. Small values of delta RT indicate
a good alignment between the retention
times observed with GC/TQ and
GC/MSD. This workflow is useful when
migrating the methods from GC/MSD
to GC/TQ.
The GC/TQ chromatogram acquired in
full scan data acquisition mode is shown
on the top right of Figure 5, as a black
trace. The identified components are
highlighted using the green trace, and
the selected component (benzyl alcohol
at 7.121 minutes) is highlighted in red.
The mirror plot (middle, right of Figure 5)
shows the comparison between the
deconvoluted mass spectrum of the
highlighted component (benzyl alcohol)
and the corresponding library spectrum.
The spectrum below the mirror plot
is the raw mass spectrum before
deconvolution. The overlaid ions are
shown under the Ion Peaks window to
demonstrate that the ions that belong to
the component have the same retention
time apexes and chromatographic
peak shapes.
Figure 5. The Unknowns Analysis window featuring a 10 ppm SVOCs standard (10:1 GC inlet split) analyzed with GC/TQ in full scan data acquisition mode against
a spectral library built in‑house using GC/MSD SVOCs analysis results.
7
Sensitivity with GC/TQ in full
scan mode
Figures 6A and 6B show the comparison
of the extracted ion chromatograms
(EICs) for hexachlorobenzene and
acenaphthene analyzed with GC/TQ in
full scan data acquisition mode (top)
and GC/MSD (bottom). The loading
on‑column was 40 pg per analyte as
a 0.4 ppm standard was analyzed in
10:1 GC inlet split with GC/TQ, and a
0.2 ppm standard was analyzed in 5:1
GC inlet pulsed split with GC/MSD. The
signal‑to‑noise ratio for EICs achieved
with GC/TQ in full scan mode operated
under the conditions described in
this work was comparable to that
observed with GC/MSD in full scan data
acquisition mode.
The LODs obtained with the 7890/7000D
GC/TQ operated in full scan data
acquisition mode are shown in Figure 7.
The LODs for most compounds were
under 50 ppb (pg/µL), comparable
to LODs observed with GC/MSD. The
compounds with higher observed LODs
are known to be challenging for GC/MS
analysis at low levels. These compounds
include N‑nitrosodimethylamine,
2‑nitrophenol, 2,4 dinitrophenol, and
2‑methyl‑4,6‑dinitrophenol.
Figure 6. EICs acquired with GC/TQ in full scan data acquisition mode (top chromatograms in blue) and
with GC/MSD in full scan mode (bottom chromatograms in purple) for: (A) 40 pg of hexachlorobenzene
(m/z 284); (B) 40 pg of acenaphthene (m/z 154).
Hexachlorobenzene, EIC 284 m/z
Agilent 7000D GC/TQ
Agilent 5977 Series GC/MSD
Agilent 7000D GC/TQ
Agilent 5977 Series GC/MSD
12.029
11.990
9.0
9.5
10.0
10.5
11.0
11.5
12.0
12.5
13.0
13.5
14.0
14.5
15.0
Acenaphthene, EIC 154 m/z
10.918
10.904
9.4
9.6
9.8
10.0 10.2 10.4 10.6 10.8
11.0 11.2 11.4 11.6 11.8
12.0
A
B
Acquisition time (min)
Acquisition time (min)
8
Resolution between benzo[b]- and
benzo[k]fluoranthene
Chromatographic resolution between
two isomer peaks for benzo[b]
fluoranthene and benzo[k]fluoranthene
was evaluated as this is commonly
used as a marker of chromatographic
performance in many standard methods.
Figure 8 shows that the chromatographic
resolution of the height of the valley
between two isomer peaks for benzo[b]
fluoranthene and benzo[k]fluoranthene
was less than 50% of the average of
the two peak heights at the midpoint
concentration level with GC/TQ analysis
in full scan mode.
Initial calibration performance with
GC/TQ in full scan mode
To evaluate the calibration performance
with GC/TQ in full scan mode, a 12‑point
calibration from 0.4 to 100 ppm using
a 68‑compound mix and six ISTDs was
analyzed. Using MassHunter Quantitative
Analysis, the relative response factor was
determined for each component at each
calibration level. The mean response
factor was then calculated across the
average relative response factors for
the calibration curve of each compound,
along with its relative standard deviation
(RSD). Passing criteria state that the
average response factor %RSD must
be ≤20 (this is the preferred passing
criteria). If this is not met, R2 ≥0.990 is
required for a linear curve fit. Finally, a
quadratic fit with R2 ≥0.990 that results
0
20
40
60
80
100
120
140
160
180
200
N-
Nitros
odimethylamine
Pyridine Phenol An
ilin
e
2-Chlorophenol
1,3-Dichlorobenzen
e
1,4-Dichlorobenzen
e
Benzyl alcoho
l
1,2-Dichlorobenzen
e
2-Methylphenol
bi
s(2-Chloro-1-
Me
thyl
ethy
l) ethe
r
N-
Nitros
odipro
pylamine p
-C
re
so
l
Hexa
chloroethane Ni
trobenzene Isophorone
2-Ni
trophenol,
2,4- Dimethylphenol
bi
s(2-C
hlor
oe
thoxy)-methane
2,4-Dichlorophenol
1,2,4-
Tr
ichlorobenze
ne
Na
ph
thalen
e
4-Chloroanilin
e
Hexa
chlorobutadien
e
4-Chloro-3
-m
et
hylp
he
no
l
2-Methylnaphthalen
e
Hexa
chlorocy
cl
op
enta
di
en
e
2,4,5-
Tr
ichlorophe
no
l
2,4,6-
Tr
ichlorophe
no
l
2-Chloronaphthalen
e
2-Ni
troaniline
Dime
thyl phthalat
e
2,6-Dinitrotoluene
Acen
aphthylene
3-Ni
troaniline
Acen
aphthene
2,4-Dinitropheno
l
4-Ni
tropheno
l
2,4-Dinitrotoluene
Dibenzofuran
Di
et
hyl Ph
thalat
e
Fl
uo
rene
4-Ni
troaniline
4-Chlorophenylphenyl ethe
r
2-Methyl-4,6-dinitrophenol
N-
Nitros
odiphenylamine
Az
ob
en
ze
ne
4-Br
om
op
he
nylp
he
nyl
et
he
r
Hexa
chlorobenzen
e
Pentac
hl
or
op
he
no
l
Phenanthrene
An
th
ra
cene
Carb
az
ol
e
Dibutyl phthalat
e
Fl
uo
ranthene
Pyrene
Benz
yl butyl phthalat
e
Benz[a]anthracen
e
Ch
ry
sen
e
bi
s(2-Ethylhexyl)
phthalat
e
Di
-n
-octyl phth
al
at
e
Benz
o[b]fluo
ranthene
Benz
o[k]fluoranthene Benz
o[a]pyrene
Indeno[1,2,3-cd]pyrene Dibenz[a,h]anthracen
e
Benzo(
g,
h,i)
pery
le
ne
LO
D,
ppb (p
g/
µL
)
TQ Scan
Figure 7. LODs with the 7890/7000D GC/TQ in full scan data acquisition mode obtained when performing nine sequential injections of a 0.5 ppm standard with a
GC inlet split ratio of 10:1.
Figure 8. Benzo[b]‑ and benzo[k]fluoranthene resolution at 10 ppm with GC/TQ in full scan mode,
EIC 252 m/z.
-0.2
0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
1.6
1.8
2.0
2.2
2.4
18.104
18.052
17.0
17.2
17.4
17.6
17.8
18.0
18.2
18.4
18.6
18.8
19.0
×105
Acquisition time (min)
Counts (%
)
9
in the recalculated concentration of the
low calibration point within ±30% of
the standard's true concentration may
be used. Accuracy for the lowest data
point must be ±30%, and six points are
needed when a curve fit is used. Relative
standard error (RSE) was also calculated
in MassHunter Quantitative Analysis to
provide a measure of curve quality.
Table 2 summarizes the initial calibration
performance for the SVOCs analysis
achieved with GC/TQ in full scan mode
over the evaluated concentration range
of 0.4 to 100 ppm. The average response
factor %RSD for 68 compounds was
16.1, with 47 out of 68 compounds
meeting the average response
factor %RSD passing criteria of ≤20.
Either linear or quadratic calibration
curve fit was used for the remaining
21 compounds.
The initial calibration curves for all
68 compounds had the RSE ≤20, with
an average RSE of 11.0 across all
the targets.
The calibration curves for
N‑nitrosodimethylamine and
bis(2‑chloro‑1‑methylethyl)ether are
shown in Figure 9. The initial calibrations
show excellent linearity, with the average
response factor %RSD of 8.2 and 1.4,
respectively, while maintaining accuracy
at low calibration levels.
Table 2. The initial calibration performance for SVOCs analysis achieved with GC/TQ in full scan data
acquisition over the evaluated concentration range of 0.4 to 100 ppm.
bis(2-Chloro-1-methylethyl) ether
0
10
20
30
40
50
60
70
80
90 100
Relative response
-0.2
0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
1.6
1.8
2.0
2.2
y = 0.215621 * x – 1.208210E-004
R = 0.99994292
Avg. RF RSD = 1.442982
N-Nitrosodimethylamine
0
10
20
30
40
50
60
70
80
90 100
Relative response
-0.2
0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
1.6
1.8
2.0
2.2
2.4
2.6
2.8
3.0
3.2
y = 0.030873 * x + 0.001301
R2 = 0.99972302
Avg. RF RSD = 8.214685
×101
Concentration (µg/mL)
Concentration (µg/mL)
A
B
Figure 9. Example calibration curves for N‑nitrosodimethylamine and
bis(2‑chloro‑1‑methylethyl)ether over the calibration range of 0.4 to
100 ppm acquired with GC/TQ in full scan mode using the GC inlet split
ratio of 10:1.
Number of
Compounds
with Average
Response Factor
%RSD <20
Average
Response
Factor
%RSD for 68
Compounds
Number of
Compounds
with Relative
Standard Error
(RSE) <20
Average
Relative
Standard Error
(RSE) for 68
Compounds
Number of
Compounds
with Linear
Fit Passing
R2 >0.99 and
Accuracy 30%
Number of
Compounds
with Quadratic
Fit Passing
R2 >0.99 and
Accuracy 30%
47
16.1
68
11.0
10
11
www.agilent.com/chem
DE44385.3305671296
This information is subject to change without notice.
© Agilent Technologies, Inc. 2021
Printed in the USA, September 28, 2021
5994-3859EN
Conclusion
The Agilent 7000D triple quadrupole
GC/MS system was used for the analysis
of semivolatile organic compounds
(SVOCs) in full scan data acquisition
mode. Using the operating conditions
outlined in this application note, the
7000D GC/TQ system in full scan data
acquisition mode enables excellent
spectral library matching, high sensitivity,
and linearity over a wide dynamic range
of 0.4 to 100 ppm.
All the target compounds were identified
against both the NIST library and the
custom‑built SVOCs spectral library, with
high library match scores (average of
95) in both cases. The average response
factor %RSD for 68 compounds was
10.96, with 47 out of 68 compounds
meeting the average response factor
%RSD passing criteria of ≤20. The LODs
obtained with the GC/TQ for most of the
compounds were under 50 ppb (pg/µL).
Following the best practices for data
acquisition and processing, the full scan
data acquisition performance of the
GC/TQ was found to be comparable
to that of the single quadrupole
GC/MS system for SVOCs analysis.
This performance enables laboratories
to perform single quadrupole GC/MS
workflows with GC/TQ when needed,
extending the flexibility of GC/TQ for
routine workflows, such as sample
screening and compound identification
in full scan mode.
References
1. Semivolatile Organic Compounds
by Gas Chromatography/Mass
Spectrometry (GC/MS); Method
8270E. United Stated Environmental
Protection Agency June 2018,
Revision 6. https://www.epa.gov/
sites/production/files/2019-01/
documents/8270e_revised_6_
june_2018.pdf
2. Churley, M.; Szelewski, M.; Quimby, B.
EPA 8270 Re‑optimized for Widest
Calibration Range on the 5977 Inert
Plus GC/MSD, Agilent Technologies
application brief, publication number
5994‑0350EN, 2018.
3. Churley, M.; Quimby, B.;
Andrianova, A. A Fast Method for
EPA 8270 in MRM Mode Using
the 7000 Series Triple Quadrupole
GC/MS, Agilent Technologies
application note, publication number
5994‑0691EN, 2019.
4. Agilent Retention Time Locking
https://www.agilent.com/en/
retention-time-locking.
5. Andrianova, A.; Quimby, B.;
Westland, J. GC/MSD Pesticide
Screening in Strawberries at
Tolerance Levels Using Library
Searching of Deconvoluted Spectra.
Agilent Technologies application note,
publication number 5994‑0915EN,
2019.