THE POWER OF MASS SPECTROMETRY

FOR IC ANALYTICAL CHEMISTS

Unleash New Possibilities

with Enhanced Detection for IC Applications
THE POWER OF MASS
SPECTROMETRY
Ion chromatography (IC) excels in analyzing ionic species—analytes of
major importance to environmental, food and beverage, pharmaceutical, life
science, chemical, power generation, and electronics industries. As the ion
chromatography innovator and technology leader for over 40 years, Thermo
Fisher Scientific understands what IC analytical chemists need for their work.
There is a continuing need for today’s researcher to detect small quantities
of analytes in complex samples. But what if you need even lower levels of
sensitivity and selectivity to add extra confidence to your results?
Unleash New Possibilities with Enhanced
Detection for IC Applications
Combining ion chromatography (IC) with mass
spectrometry (MS) maximizes the power to detect
unexpected coelutions of components and confirm
trace components with the analytical confidence of
mass spectrometry. Mass spectrometry dramatically
improves your IC system capabilities and provides:
• Higher sensitivity and accurate quantitation
• Peak confirmation and evaluation of chromatographic
peak purity
• Improved resolution of complex samples
• Seamless integration of MS data into your
IC workflow
Coupling IC to MS
IC-MS is a recommended method for sensitive and selective
determinations of ions. Combining ion chromatography
with MS workflows increases efficiency and sensitivity, and
improves resolution in complex samples, leading to more
accurate quantitation, improved confidence, and more chemical
information about every sample.

Thermo Fisher Scientific offers several different mass

spectrometer options for IC systems:

• single quadrupole MS
• triple quadrupole MS
• high resolution-accurate mass (HRAM) hybrid
quadrupole-Orbitrap MS

As the capabilities of these instruments grow, so does

their power to provide information about your compounds
of interest. While a single quadrupole MS adds sensitivity
and peak confirmation to your analyses, a triple quadrupole
MS/MS provides additional sensitivity, peak confirmation,
and basic structural elucidation. HRAM Orbitrap MS adds
advanced structural elucidation to IC-MS analyses.
MORE CONFIDENCE

Higher Sensitivity and Accurate Quantitation

For routine analyses where single digit parts-per-billion (ppb) sensitivities are required, a simple mass detector, such as a single
quadrupole mass spectrometer, offers the required sensitivity. Mass detection adds confidence to your quantitation, enabling
you to obtain limits of detection (LODs) at least an order of magnitude greater than those provided by conductivity detection.

With the use of very specific MS selected ion monitoring (SIM) detection, ppb-level quantification can be performed with greater
confidence on a wide range of real-world samples, such as bottled drinking water.

tartrate External tartrate

140000
counts*min
30,000 Chloride
120000
SIM = m/z 35.1
100000
0
80,000

Intensity (counts)
80000 Nitrate

60000 SIM = m/z 62.1

0
40000 1.2e6
Sulfate
SIM = m/z 97.1
20000
Phosphate
0 0.0e0
0 250 500 750 1000 1200 0 5.0 10.0 15.0 19.7
Minutes
Calibration curve of tartrate at concentrations from 2 ppb to 1000 ppb, r2=0.9998 Anions in a bottled water sample
Peak Confirmation
In addition to the enhanced detection, if your study requires peak confirmation or peak purity analysis the single quadrupole MS detector
such as the Thermo Scientific™ ISQ™ EC mass spectrometer will provide complementary molecular weight data, for an increased degree
of confidence.
AN151 conditions, IonPac AS20 column, 100 µL injection,
without desolvation solvent Apex 101 perchlorate Scan: #2202 RT:...
120
B Perchlorate, %
1700
12000 A ISQ EC, SIM
m/z 99 C
101.0
Counts-min

Perchlorate
800
8000
2000 m/z 101
ISQ EC, SIM
60

Q ua n
Counts-min

4000
1650

0.040 Suppressed Conductivity

µS-min
0 Perchlorate? 0

m/z
-2000 0.026 -20
6.7 Min 16
0.0 2.0 6.0 10.0 14.0 99.50 100 102.50

Determination of perchlorate in a Municipal Drinking Water Sample. (A) The conductivity channel provides very limited sensitivity towards the perchlorate peak and no confirmatory data. (B) SIM m/z 99 provides a very sensitive response towards perchlorate. (C)
SIM m/z 101 confirms the response as perchlorate by confirming the 3:1 ratio of m/z 99:101 expected for perchlorate.

Where unknown chromatographic peaks appear, mass detection enables the IC analytical chemist to quickly and effectively suggest a
number of possibilities for these unknown peaks. By scanning across a chromatographic peak with a mass detector, it is possible to
detect the appearance of unusual masses.
FLEXIBLE IC-MS COMBINATIONS
Thermo Fisher Scientific offers two different IC systems, the Thermo Scientific™ Dionex™ ICS-6000 HPIC™
system and the Thermo Scientific™ Dionex™ Integrion™ HPIC™ system, suited for pairing with MS detection.
Each of these unique IC systems can be used with a variety of mass spectrometers, offering increasing levels
of confidence, peak confirmation, and structural elucidation for your analyses.

Dionex ICS-6000 HPIC system:
A modular, highly flexible IC
system designed to meet the
widest range of applications.
Dionex Integrion HPIC system
A compact, integrated IC system
for routine ion analysis demands,
ease-of-use and reliability.
Thermo Scientific™ ISQ™ EC
Single Quadrupole Mass
Spectrometer: An economical,
benchtop mass detector
designed for routine IC-MS
workflows.

Mass Spectrometer
ISQ EC
TSQ Quantis MS
TSQ Altis MS
Q Exactive MS
Orbitrap Fusion MS
Thermo Scientific™ TSQ Altis™
and Thermo Scientific™ TSQ
Quantis Triple Quadrupole
™
Mass Spectrometers: Best-in-
class benchtop MS designed
for quantitative performance,
robustness, and value.
Peak Structural
Analyzer Mode of Operation MS MS/MS Sensitivity
Confirmation Elucidation
Quadrupole Single ion monitoring (SIM)
Triple Quadrupole Selected reaction monitoring (SRM)
Triple Quadrupole Selected reaction monitoring (SRM)
Orbitrap mass analyzer High Resolution Accurate Mass (HRAM)
Orbitrap mass analyzer High Resolution Accurate Mass (HRAM)    
Thermo Scientific™ Q Exactive™ Thermo Scientific™ Orbitrap Fusion™
Hybrid Quadrupole-Orbitrap Mass Mass Spectrometer: An instrument
Spectrometer: High-resolution, accurate- combining the best of quadrupole, ion trap
mass (HRAM) benchtop MS that delivers high and Orbitrap mass analysis and ease of use
resolution data for quantitative, screening and for the highest performing research system
confirmation studies. particularly suited for life science applications.
RESOLVING COMPLEXITY
Increased Selectivity for Complex Samples
When you need increased sensitivity and peak confirmation, the
increased power of a triple quadrupole MS may be the answer.
The sensitivity and selectivity of MS/MS detection makes it a highly
preferred method for complex sample matrices. For example,
perchlorate in baby formula can be quantified, without enrichment
at low parts-per-trillion (ppt) levels using simple sample preparation
and a TSQ Altis triple quadrupole mass spectrometer for detection.
This system provides excellent reproducibility, accuracy, and
precision.

100 100
Infant Formula Milk
60 60
m/z 99 ( 35 ClO 4
- ) → m/z 83 ( 35 ClO 3
- ) m/z 99 ( 35 ClO 4
- ) → m/z 83 ( 35 ClO 3
- )
Perchlorate by 99 Perchlorate by 99
0 0

Relative Abundance

Relative Abundance
100 100

60 60
m/z 101 ( 37 ClO - ) → m/z 85 ( 37 ClO - ) m/z 101 ( 37 ClO 4
- ) → m/z 85 ( 37 ClO 3
- )
4 3

Perchlorate by 101 Perchlorate by 101

0 0
RT: 11.59
AA: 227857
100 SN: 21147 100

60 60
m/z 107 ( 35 Cl 18 O 4 -) → m/z 89 ( 35 Cl 18 O 3 -) m/z 107 ( 35 Cl 18 O 4 -) → m/z 89 ( 35 Cl 18 O 3 -)
Internal Standard Internal Standard
0 0
0 4 8 12 14 0 4 8 12 14
Time (min) Time (min)

Perchlorate in unspiked infant formula and milk samples. Calculated concentrations are in the 1–5 µg/L range.
 te
ala
/M
vate inate e
-0.40 A pyry cc rat
8- Su Cit
3.5 .79- .46-
:

Selectivity for Co-Eluting Peaks

RT :4 :9
RT RT

Response (µS)
Standard mix at 0.5 mg/L level
-1.50
120,000
Combining ion chromatography with mass spectrometric detection
e
vat
yry
50000 - p 652
3 .58 a: 16
: e
offers great selectivity. In the example to the right, organic acids RT - Ar
Pyruvate SIM 87
0
250,000 ate
were analyzed by IC-MS. Using MS detection, each of these
ch
uc
7 - S 4718
.7 3
: 4 ea:
Succinate SIM 117 RT - Ar
organic acids was observed as a single peak. By overlaying the

ntetensity(counts)
0
300,000
te
individual responses for each recorded mass, it is possible to
ala
- M o18
4 .79 a: 42
: e
Malate SIM 133 RT - Ar
0
determine how the co-eluting organic acids contribute to the total 350,000
te
itra 1
chromatographic peak. Citrate SIM 191 : 9
RT - A
r
- C 547
.46 ea: 5

0
0 2 4 6 8 10 11
minute

45.0 B

Animal feed Sample

Response (µS)
-5.0
70,000
Citrate, m/z 191
0
18,000

Lactate, m/z 89
0
30,000

Intetensity(counts)
Malate, m/z 133
0
25,000
Malonate, m/z 103
0
7,000

Succinate, m/z 117

0
0 5 10 15 20 25 30 35 40 45
minute

Determination of organic acids in Animal Feed by single quadrupole IC-MS. (A) The conductivity channel
provides sufficient response for the organic acids, but lacks resolution for malate, malonate and succinate.
(B) The highly selective SIM channels on the Thermo Scientific ISQ EC are able to respond individually to the
three co-eluting organic acids, providing both quantitative and qualitative data.
 Structural Elucidation Capabilities IC-MS Analysis Software
IC combined with high-resolution, accurate-mass (HRAM) Orbitrap Thermo Scientific offers a range of software solutions to support
mass spectrometry is an ideal solution for component identification in IC-MS applications.
non-targeted and unknown workflows. For example, identification of
lithium-ion battery failure analysis products using HRAM MS/MS offers • Thermo Scientific™ Chromeleon™ Chromatography
four-decimal-point accuracy to distinguish between species. Data System (CDS) software is ideal for routine quantitative
The unique fragmentation signature enhances that confidence. In workflows.
addition to validating a proposed degradation pathway, confidence in
• Thermo Scientific™ TraceFinder™ and/or Thermo Scientific™ Xcalibur™
the results avoids spending research time and resources going in an
software is recommended for qualitative workflows.
unproductive direction.

(M-H)- O (M-H)- O
139.0166 O 139.0071 HO S O
100 HO P 100
O O
80 80
Relative Abundance
Relative Abundance

(-) C3H8O4P
60 m/z (-) 139.0166 60
0.4 ppm
C3H7O4S
40 40 m/z (-) 139.0071
0.3 ppm
20 133.0507 20
110.9853 141.0029
0 0
90 110 130 150 170 120 130 140 150 160 170 180
m/z m/z
78.9591 139.0072
100 02P MS/MS 100 79.9575 MS/MS C3 H7 O4 S
0.8 ppm 1.0 ppm
110.9853 O3 S
Relative Abundance

80 80
Relative Abundance

C H4 04P 1.3 ppm

0.5 ppm
60 60
40 139.0166 40
62.9642 C3 H4 04P 64.9702 120.9965
20 02P 0.5 ppm 20 HO2 S 81.9532 C3 H5 O3 S
0.3 ppm -1.4873 ppm -0.1060 ppm
0 0
50 70 90 110 130 150 50 70 90 110 130 150
m/z m/z

HRAM MS/MS fragments facilitate identification of unknown compounds.

Find out more at thermofisher.com/ICMS

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