using triple quadrupole gc-ms in full scan, sim, srm, and ... … · srm, and srm/full scan modes....

Using Triple Quadrupole GC-MS in Full Scan, SIM, SRM, and Mixed Scan Modes to Provide the Highest Coverage for Target and Non-target Analysis of Contaminants David Steiniger,1 Dwain Cardona,1 Cristian Cojocariu,2 Paul Silcock,2 Alexander Semyonov,1 Jason Cole1 1Thermo Fisher Scientific, Austin, TX; 2Thermo Fisher Scientific, Runcorn, UK

2 Using Triple Quadrupole GC-MS in Full Scan, SIM, SRM, and Mixed Scan Modes to Provide the Highest Coverage for Target and Non-target Analysis of Contaminants

Using Triple Quadrupole GC-MS in Full Scan, SIM, SRM, and Mixed Scan Modes to Provide the Highest Coverage for Target and Non-target Analysis of Contaminants David Steiniger1, Dwain Cardona1, Cristian Cojocariu2, Paul Silcock2, Alexander Semyonov1, Jason Cole1 1Thermo Fisher Scientific, Austin, TX, 2Thermo Fisher Scientific, Runcorn, UK

Overview This work describes how triple quadrupole gas chromatography-mass spectrometry (GC-MS) systems can be used in single quadrupole modes to satisfy current regulations as well as be able to easily switch to powerful SRM methods when needed, especially in preparation for future updates to regulations. Also included are some potential applications of mixed MS modes, such as simultaneous FS/SRM.

Introduction Many laboratories are adopting triple quadrupole GC-MS systems to access the widely accepted advantages brought by high-selectivity detection of target analytes. However, while the advantages of MS/MS scan modes, particularly SRM, are well documented, some regulated methods such as EPA 8270 do not permit use of triple quadrupole GC-MS systems. Laboratories that are accredited for these “prescriptive” regulated methods are then compelled to continue with current technology such as single quadrupole GC-MS instruments. These regulated methods prevent users becoming familiar with the latest technology so they are not able to use triple quadrupole technology unregulated sample analysis or special projects.

The versatility of the Thermo Scientific™ GC-MS/MS systems will be demonstrated in the various operational modes offered. Methods were developed for semi-volatile organic compounds (SVOCs) and pesticides, and data is presented in full scan, SIM, SRM, and SRM/full scan modes. Figure 1 provides an overview of triple quadrupole method development.

The Thermo Scientific™ TSQ™ Duo GC-MS/MS coupled to a Thermo Scientific™ TRACE™ 1310 GC, enables truly simple operation whether you choose to use it in single or triple quadrupole mode. It also bridges the gap between single and triple quadrupole mode use within the same instrument to allow easy adoption of powerful MS/MS workflows when required. Using the instrument in single quadrupole GC-MS mode allows you to continue running your current instrument configuration and established methods. The integrated software walks you through a step-by-step process to manage the transition to powerful, triple quadrupole methods.

FIGURE 1. Overview of triple quadrupole method development.

Full Scan Data SVOC calibration curves were generated from 1 to 200 ppm in methylene chloride and analyzed on the TSQ Duo GC-MS/MS and ISQ GC-MS instruments. A comparison of the %RSDs of the curves is shown in Figure 2. A comparison of 10 replicate injections at 1 ppm is displayed in Figure 3.

SIM Data SIM was used for the analysis of THC in urine samples. THC, THC-OH, and THC-COOH were extracted and derivatized for this study. Concentrations used were the cutoff value (15 ng/mL), 125% of the cutoff value (18.75 ng/mL), and 40% of the cutoff value (6 ng/mL). Table 1 shows the %RSDs of 10 replicate analyses of these three concentrations.

FIGURE 2. Comparison between the TSQ Duo GC-MS/MS and the ISQ GC-MS %RSDs of the curve for 100+ compounds.

0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ

FIGURE 3. Comparison between the TSQ Duo GC-MS/MS and the ISQ GC-MS %RSDs of 10 replicates at 1 ppm.

0

2

4

6

8

10

12

14

16

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ

SRM Data SVOC calibration standards were prepared in methylene chloride from 1 to 1000 ppb. Transitions and collision energies for SRM were determined and optimized using the AutoSRM function of the software. Curves using internal standards were generated. Figure 4 displays the linearity of the curves. Figure 5 is a comparison of the curve %RSDs for the TSQ Duo GC-MS/MS and the ISQ GC-MS.

FIGURE 4. r2 values for a curve 1 ppb to 1000 ppb.

TSQDuo ISQ Classic TSQDuo ISQ Classic TSQDuo ISQ ClassicCutoff Cutoff 125% Cutoff 125% Cutoff 40% Cutoff 40% Cutoff

15 ng/mL 15 ng/mL 18.75 ng/mL 18.75 ng/mL 6 ng/mL 6 ng/mLTHC 2.8 5.8 4.6 3.9 9.4 2.4THC-OH 2.3 2.8 4.4 4.0 8.2 1.9THC-COOH 2.0 3.2 2.8 3.5 9.5 1.9

TABLE 1. %RSD of 10 replicates THC samples – TSQ Duo vs ISQ.

0.9400

0.9500

0.9600

0.9700

0.9800

0.9900

1.0000

1.0100

N-N

itros

odim

ethy

lam

ine

2-Fl

uoro

phen

ol (S

urr)

Phe

nol

Bis

(2-c

hlor

oeth

yl)e

ther

1,

3-D

ichl

orob

enze

ne

Ben

zyl a

lcoh

ol

2-M

ethy

lphe

nol (

o-cr

esol

) 4-

Met

hylp

heno

l (p-

cres

ol)

Hex

achl

oroe

than

e N

itrob

enze

ne

2-N

itrop

heno

l B

is(2

-chl

oroe

thox

y)m

etha

ne

1,2,

4-Tr

ichl

orob

enze

ne

4-C

hlor

oani

line

4-C

hlor

o-3-

met

hylp

heno

l 1-

Met

hyln

apht

hale

ne

2,4,

6-Tr

ichl

orop

heno

l 2-

Fluo

robi

phen

yl (S

urr)

2-N

itroa

nilin

e D

imet

hylp

htha

late

2,

6-D

initr

otol

uene

A

cena

phth

ene

Ace

naph

thyl

ene

4-N

itrop

heno

l (S

PC

C)

Dib

enzo

fura

n 2,

3,5,

6-Te

trach

loro

phen

ol

4-C

hlor

ophe

nyl p

heny

l eth

er

4-N

itroa

nilin

e D

iphe

nyla

min

e 2,

4,6-

Trib

rom

ophe

nol (

Sur

r) H

exac

hlor

oben

zene

P

hena

nthr

ene

Car

bazo

le

Fluo

rant

hene

B

enzy

l but

yl p

htha

late

B

enz(

a)an

thra

cene

C

hrys

ene

Ben

zo(b

)fluo

rant

hene

B

enzo

(a)p

yren

e D

iben

z(a,

h)an

thra

cene

r2 V

alue

FIGURE 6. Comparison of MDLs from SRM vs. SRM/FS analysis (ppb).

SRM/FS Data A sample of fruit drink was extracted using the QuEChERS method of extraction and cleanup. The extract was concentrated 5x, and then 147 pesticides were spiked into the extract to produce calibration curves from 1 ppb to 200 ppb. The calibration curves were constructed for both methods: SRM and alternating SRM/full scan for 147 pesticides. The linearity for most of the compounds was R2 > 0.98 for both methods of analysis. Ten replicates of a 1 ppb and 10 ppb standard in fruit juice extract were analyzed to determine the MDLs for the two instrument methods. A comparison of the MDLs of both methods are shown in Figure 6. MDLs are slightly higher with the full scan added to the instrument method, but very comparable.

Fruit drink was spiked at 100 ppb and analyzed using the SRM/full scan instrument mode. This extract was also spiked with two phthalates at a 1 ppm level. The full scan chromatogram shows several peaks above the 100 ppb pesticide spike. Peaks are at retention times of 9.29, 9.73, 10.39, 10.91, and a very large saturated peak at 31.00 minutes. A close-up view of the first four compounds is shown in Figure 7. Figure 8 displays the NIST library matches for those non-targeted compounds.

0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ

FIGURE 5. %RSDs for the calibration curve – TSQ Duo and ISQ.

Conclusion As can be seen from this data, the TSQ Duo GC/MS-MS system can be used as a single quadrupole instrument that provides additional triple quadrupole capabilities to any laboratory. Whether the application is full scan, SIM, SRM, or a combination of SRM and full scan, the TSQ Duo system produces sensitive, accurate results.

All trademarks are the property of Thermo Fisher Scientific and its subsidiaries.

This information is not intended to encourage use of these products in any manners that might infringe the intellectual property rights of others.

FIGURE 7. Close-up view of four unknown peaks in 100 ppb spiked fruit drink.

Dimethyl phthalate at 9.29 min Phenol, 2,4-bis (1,1-dimethylethyl) at 9.72 min used as a UV stabilizer in plastics

Diethyl phthalate at10.39 min Triethyl citrate at 0.91 min used as a plasticizer and food additive

FIGURE 8. NIST Library match for four unknown peaks.

PO10436

3Thermo Scienti� c Poster Note • PITTCON • PN10436-EN 0215S










0

5

10

15

20

25 N

-Nitr

osod

imet

hyla

min

e E

than

amin

e, N

-met

hyl-N

-nitr

oso-

M

etha

nesu

lfoni

c ac

id, e

thyl

est

er

Ani

line

Phe

nol,

2-ch

loro

- B

enze

ne, 1

,4-d

ichl

oro-

P

heno

l, 2-

met

hyl-

(O C

reso

l) o-

Tolu

idin

e N

itrob

enze

ne-D

5(su

rrog

ate)

is

opho

rone

M

etha

ne, b

is(2

-chl

oroe

thox

y)-

Nap

htha

lene

-D8

1-P

rope

ne, 1

,1,2

,3,3

,3-h

exac

hlor

o-

Phe

nol,

4-ch

loro

-3-m

ethy

l- B

enze

ne, 1

,2,3

,5-te

trach

loro

- 2-

fluor

obip

heny

l,(su

rrog

ate)

2-

Nitr

oani

line

Ben

zene

, 2-m

ethy

l-1,3

-din

itro-

A

cena

phth

ene-

d10

Phe

nol,

4-ni

tro-

Dib

enzo

fura

n 2-

Nap

htha

lena

min

e P

heno

l, 2-

met

hyl,

4,6-

dini

tro-

2,4,

6-tri

brom

ophe

nol (

surr

ogat

e)

Phe

nace

tin

Ben

zene

, pen

tach

loro

nitro

- P

hena

nthr

ene

Dib

utyl

pht

hala

te

Ben

zidi

ne

Ben

zena

min

e, N

,N-d

imet

hyl-4

-(phe

nyla

zo)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ


0

2

4

6

8

10

12

14

16

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ






0.9400

0.9500

0.9600

0.9700

0.9800

0.9900

1.0000

1.0100

N-N

itros

odim

ethy

lam

ine

2-Fl

uoro

phen

ol (S

urr)

Phe

nol

Bis

(2-c

hlor

oeth

yl)e

ther

1,

3-D

ichl

orob

enze

ne

Ben

zyl a

lcoh

ol

2-M

ethy

lphe

nol (

o-cr

esol

) 4-

Met

hylp

heno

l (p-

cres

ol)

Hex

achl

oroe

than

e N

itrob

enze

ne

2-N

itrop

heno

l B

is(2

-chl

oroe

thox

y)m

etha

ne

1,2,

4-Tr

ichl

orob

enze

ne

4-C

hlor

oani

line

4-C

hlor

o-3-

met

hylp

heno

l 1-

Met

hyln

apht

hale

ne

2,4,

6-Tr

ichl

orop

heno

l 2-

Fluo

robi

phen

yl (S

urr)

2-N

itroa

nilin

e D

imet

hylp

htha

late

2,

6-D

initr

otol

uene

A

cena

phth

ene

Ace

naph

thyl

ene

4-N

itrop

heno

l (S

PC

C)

Dib

enzo

fura

n 2,

3,5,

6-Te

trach

loro

phen

ol

4-C

hlor

ophe

nyl p

heny

l eth

er

4-N

itroa

nilin

e D

iphe

nyla

min

e 2,

4,6-

Trib

rom

ophe

nol (

Sur

r) H

exac

hlor

oben

zene

P

hena

nthr

ene

Car

bazo

le

Fluo

rant

hene

B

enzy

l but

yl p

htha

late

B

enz(

a)an

thra

cene

C

hrys

ene

Ben

zo(b

)fluo

rant

hene

B

enzo

(a)p

yren

e D

iben

z(a,

h)an

thra

cene

r2 V

alue




0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ









PO10436

4 Using Triple Quadrupole GC-MS in Full Scan, SIM, SRM, and Mixed Scan Modes to Provide the Highest Coverage for Target and Non-target Analysis of Contaminants










0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ


0

2

4

6

8

10

12

14

16

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ






0.9400

0.9500

0.9600

0.9700

0.9800

0.9900

1.0000

1.0100

N-N

itros

odim

ethy

lam

ine

2-Fl

uoro

phen

ol (S

urr)

Phe

nol

Bis

(2-c

hlor

oeth

yl)e

ther

1,

3-D

ichl

orob

enze

ne

Ben

zyl a

lcoh

ol

2-M

ethy

lphe

nol (

o-cr

esol

) 4-

Met

hylp

heno

l (p-

cres

ol)

Hex

achl

oroe

than

e N

itrob

enze

ne

2-N

itrop

heno

l B

is(2

-chl

oroe

thox

y)m

etha

ne

1,2,

4-Tr

ichl

orob

enze

ne

4-C

hlor

oani

line

4-C

hlor

o-3-

met

hylp

heno

l 1-

Met

hyln

apht

hale

ne

2,4,

6-Tr

ichl

orop

heno

l 2-

Fluo

robi

phen

yl (S

urr)

2-N

itroa

nilin

e D

imet

hylp

htha

late

2,

6-D

initr

otol

uene

A

cena

phth

ene

Ace

naph

thyl

ene

4-N

itrop

heno

l (S

PC

C)

Dib

enzo

fura

n 2,

3,5,

6-Te

trach

loro

phen

ol

4-C

hlor

ophe

nyl p

heny

l eth

er

4-N

itroa

nilin

e D

iphe

nyla

min

e 2,

4,6-

Trib

rom

ophe

nol (

Sur

r) H

exac

hlor

oben

zene

P

hena

nthr

ene

Car

bazo

le

Fluo

rant

hene

B

enzy

l but

yl p

htha

late

B

enz(

a)an

thra

cene

C

hrys

ene

Ben

zo(b

)fluo

rant

hene

B

enzo

(a)p

yren

e D

iben

z(a,

h)an

thra

cene

r2 V

alue




0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ









PO10436

5Thermo Scienti� c Poster Note • PITTCON • PN10436-EN 0215S










0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ


0

2

4

6

8

10

12

14

16

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ






0.9400

0.9500

0.9600

0.9700

0.9800

0.9900

1.0000

1.0100

N-N

itros

odim

ethy

lam

ine

2-Fl

uoro

phen

ol (S

urr)

Phe

nol

Bis

(2-c

hlor

oeth

yl)e

ther

1,

3-D

ichl

orob

enze

ne

Ben

zyl a

lcoh

ol

2-M

ethy

lphe

nol (

o-cr

esol

) 4-

Met

hylp

heno

l (p-

cres

ol)

Hex

achl

oroe

than

e N

itrob

enze

ne

2-N

itrop

heno

l B

is(2

-chl

oroe

thox

y)m

etha

ne

1,2,

4-Tr

ichl

orob

enze

ne

4-C

hlor

oani

line

4-C

hlor

o-3-

met

hylp

heno

l 1-

Met

hyln

apht

hale

ne

2,4,

6-Tr

ichl

orop

heno

l 2-

Fluo

robi

phen

yl (S

urr)

2-N

itroa

nilin

e D

imet

hylp

htha

late

2,

6-D

initr

otol

uene

A

cena

phth

ene

Ace

naph

thyl

ene

4-N

itrop

heno

l (S

PC

C)

Dib

enzo

fura

n 2,

3,5,

6-Te

trach

loro

phen

ol

4-C

hlor

ophe

nyl p

heny

l eth

er

4-N

itroa

nilin

e D

iphe

nyla

min

e 2,

4,6-

Trib

rom

ophe

nol (

Sur

r) H

exac

hlor

oben

zene

P

hena

nthr

ene

Car

bazo

le

Fluo

rant

hene

B

enzy

l but

yl p

htha

late

B

enz(

a)an

thra

cene

C

hrys

ene

Ben

zo(b

)fluo

rant

hene

B

enzo

(a)p

yren

e D

iben

z(a,

h)an

thra

cene

r2 V

alue




0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ









PO10436

PN10436-EN 0215S










0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ


0

2

4

6

8

10

12

14

16

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)- K

epon

e C

hrys

ene-

D12

bi

s(2-

ethy

lhex

yl)p

htha

late

B

enzo

[(k]fl

uora

nthe

ne

benz

o(a)

pyre

ne

Ben

zo[g

hi]p

eryl

ene

Duo

ISQ






0.9400

0.9500

0.9600

0.9700

0.9800

0.9900

1.0000

1.0100

N-N

itros

odim

ethy

lam

ine

2-Fl

uoro

phen

ol (S

urr)

Phe

nol

Bis

(2-c

hlor

oeth

yl)e

ther

1,

3-D

ichl

orob

enze

ne

Ben

zyl a

lcoh

ol

2-M

ethy

lphe

nol (

o-cr

esol

) 4-

Met

hylp

heno

l (p-

cres

ol)

Hex

achl

oroe

than

e N

itrob

enze

ne

2-N

itrop

heno

l B

is(2

-chl

oroe

thox

y)m

etha

ne

1,2,

4-Tr

ichl

orob

enze

ne

4-C

hlor

oani

line

4-C

hlor

o-3-

met

hylp

heno

l 1-

Met

hyln

apht

hale

ne

2,4,

6-Tr

ichl

orop

heno

l 2-

Fluo

robi

phen

yl (S

urr)

2-N

itroa

nilin

e D

imet

hylp

htha

late

2,

6-D

initr

otol

uene

A

cena

phth

ene

Ace

naph

thyl

ene

4-N

itrop

heno

l (S

PC

C)

Dib

enzo

fura

n 2,

3,5,

6-Te

trach

loro

phen

ol

4-C

hlor

ophe

nyl p

heny

l eth

er

4-N

itroa

nilin

e D

iphe

nyla

min

e 2,

4,6-

Trib

rom

ophe

nol (

Sur

r) H

exac

hlor

oben

zene

P

hena

nthr

ene

Car

bazo

le

Fluo

rant

hene

B

enzy

l but

yl p

htha

late

B

enz(

a)an

thra

cene

C

hrys

ene

Ben

zo(b

)fluo

rant

hene

B

enzo

(a)p

yren

e D

iben

z(a,

h)an

thra

cene

r2 V

alue




0

5

10

15

20

25

N-N

itros

odim

ethy

lam

ine

Eth

anam

ine,

N-m

ethy

l-N-n

itros

o-

Met

hane

sulfo

nic

acid

, eth

yl e

ster

A

nilin

e P

heno

l, 2-

chlo

ro-

Ben

zene

, 1,4

-dic

hlor

o-

Phe

nol,

2-m

ethy

l- (O

Cre

sol)

o-To

luid

ine

Nitr

oben

zene

-D5(

surr

ogat

e)

isop

horo

ne

Met

hane

, bis

(2-c

hlor

oeth

oxy)

- N

apht

hale

ne-D

8 1-

Pro

pene

, 1,1

,2,3

,3,3

-hex

achl

oro-

P

heno

l, 4-

chlo

ro-3

-met

hyl-

Ben

zene

, 1,2

,3,5

-tetra

chlo

ro-

2-flu

orob

iphe

nyl,(

surr

ogat

e)

2-N

itroa

nilin

e B

enze

ne, 2

-met

hyl-1

,3-d

initr

o-

Ace

naph

then

e-d1

0 P

heno

l, 4-

nitro

- D

iben

zofu

ran

2-N

apht

hale

nam

ine

Phe

nol,

2-m

ethy

l, 4,

6-di

nitro

- 2,

4,6-

tribr

omop

heno

l (su

rrog

ate)

P

hena

cetin

B

enze

ne, p

enta

chlo

roni

tro-

Phe

nant

hren

e D

ibut

yl p

htha

late

B

enzi

dine

B

enze

nam

ine,

N,N

-dim

ethy

l-4-(p

heny

lazo

)-

Kep

one

Chr

ysen

e-D

12

bis(

2-et

hylh

exyl

)pht

hala

te

Ben

zo[(k

]fluo

rant

hene

be

nzo(

a)py

rene

B

enzo

[ghi

]per

ylen

e

Duo

ISQ









PO10436

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