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.