C103-E091B

Fourier Transform Infrared Spectrophotometer

IRTracer-100
New Levels of Performance and Quality
Created by Excellent Sensitivity, Speed and Resolution

High-Sensitivity Hig h
- Re s o
Sp eed l u tio
Hig h - n

Excellent Sensitivity, Speed and Resolution

Quickly and easily obtain high-quality data for any kind of sample.
Quickly analyze data with user-friendly LabSolutions IR software.
High-speed generation of analysis reports.

Shimadzu's technologies provide the high performance

needed for your IR Analysis.

CONTENTS

4 New Levels of Performance and Quality

Created by Excellent Sensitivity, Speed and Resolution

5 High Sensitivity, High Resolution and High Speed

6 Reliable High Performance

10 New Generation of Workstation

11 Fast, Easy-to-Use LabSolutions IR Series Software
12 Solutions Achieved with LabSolutions
14 Extensive Spectra Library and a High-Performance Search Function
15 Automation and Labor-savings with Macro Program Functions
16 Meeting the Needs of a Wide Range of Analyses
Customize Your Own IRTracer-100 System

18 Various Application Programs Support All Analyses

20 EDXIR-Analysis Software (Option)
21 Sample Holder/Stocker for Contaminant Measurement EDXIR-Holder (Option)
22 Hardware Options
26 Software Options
28 Specifications
IRTracer-100
Fourier Transform Infrared Spectrophotometer

Excellent Sensitivity
and Reliability
High Sensitivity, Resolution, and Speed:
Techniques to stabilize and optimize the interferometer
provide high sensitivity.

New Generation of Workstation

LabSolutions IR software has been optimized for network applications,
includes an extensive library of spectra, and features a high-performance
search function. In addition, Macro functions provide automation and
labor savings.

Meeting the Needs

of a Wide Range of Analyses
Two main application programs support all analyses.
A wide variety of options to meet every application is available.

This product conforms to Shimadzu’s

Eco -labeled designation.
*Energy savings: 34% reduction as
compared to the previous model
 New Levels of Performance and Quality
Created by Excellent Sensitivity,
Speed and Resolution
Quickly and easily obtain high-quality data for any kind of sample.

High-Sensitivity

High-
d Reso
ig h -Spee lu tion
H

High-Sensitivity Measurements, with an SN Ratio of 60,000:1*1

A trace amount of silicone oil in paraffin oil were measured 0.0015

using the IRTracer-100 with a single reflection ATR Abs Silicone 500 ppm
Silicone 250 ppm
attachment.
The peak from the silicone was extremely weak (1,260 cm−1),
a mere 0.00015 absorbance, but it was measured with a 0.0010

high S/N ratio.

0.0005

0.15 mAbs

Remarks: 0.0000
• Differential spectrum with the spectrum of the paraffin oil subtracted
• Measured with a DLATGS detector, at a resolution of 4 cm −1 1300 1200 1100 1000 900 800 cm–1

4 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 High Sensitivity, High Resolution and High Speed
The IRTracer-100 features the highest SN ratio in its class at 60,000:1, 0.25 cm -1 resolution,
and high-speed scanning capable of 20 spectra/second.

Acquire High-Resolution Spectra with a 0.25cm-1 Resolution Setting

Highly accurate quantitation and identification can
be achieved with 0.25cm -1 resolution.
Abs
For example, this resolution is suitable for the Resolution 0.5 cm −1
detailed analysis of each peak in a gas sample.
When ammonia gas was run at 0.25cm -1
resolution, peaks in the 785 – 790cm -1 ranges
were clearly resolved.

Resolution 0.25 cm −1

810 805 800 795 790 785 780 775 770 765 760
cm-1

Achieve High-Speed Analysis with a 20 Hz Rapid Scan Feature*2

Time (sec)
30
The rapid scan function allows a maximum of 20 spectra per second
to be obtained. This makes the IRTracer-100 suitable for fast 25

reactions that occur within a few seconds and for kinetic studies 20
occurring in less than one second. 15
Rapid, high-sensitivity analysis with a 2,000:1 SN is available.
10

5
1600 1500 1400 1300 1200 1100 1000 900 800
cm-1
Epoxy Adhesive

Abs
0.34
0.32
0.30
Abs 0.28
0.26
1.3 0.24
0.22
1.2 0.20
1.1 10 15 20 25 30 Time (sec)
1.0
0.9 Analysis of curing reaction of UV light curable resin
0.8
0.7 Sample : UV light curing adhesive
0.6 Resolution: 16 cm −1
0.5 Scan accumulation: 1 scan
0.4
Interval: 50 msec
0.3
0.2 Monitor: Peak at around 1,400cm −1
0.1 Detector: MCT
0.0
30 Time (sec)
1600 25
1500
1400 20
1300
1200 15
1100
1000 10
900 5
800
cm-1

*1 peak-to-peak, 4 cm -1 resolution, in a neighborhood of 2,200 cm -1, 1-minute accumulation *2 16 cm -1 resolution. Rapid scan program is optional.

IRTracer-100 5
 Reliable High Performance
An automatic dehumidifier and advanced dynamic alignment enable easy maintenance of the interferometer.

Built-in Automatic Dehumidifier Allows for Easy Maintenance

Beam splitters used in FTIR interferometers are susceptible to humidity. In order to maintain the long-term stability of
the interferometer, the beam splitter must be protected from moisture. To address this issue, the IRTracer-100 has been engineered
with an airtight interferometer that incorporates a unique internal Automatic Dehumidifier.

Three Measures Taken to Protect the Optical Element in the Interferometer

An electronic Automatic Dehumidifier The beam splitter is covered

The interferometer is sealed
continuously removes any moisture, with a moisture-resistant
in an airtight housing.
ensuring a dry interferometer chamber. protective coat.

The IRTracer-100 incorporates an Automatic Dehumidifier that

Principle of electrolytically removes the moisture inside the interferometer using
a solid polymer electrolytic membrane.
the Automatic
Because the electric power required to operate the Automatic
Dehumidifier Dehumidifier is less than the continuous operation of the FTIR,
it can reduce CO 2 emissions by approximately 400 kg/year.*
Dehumidifying Moisture decomposed

1 When porous electrodes are attached to a solid polymer electrolytic membrane

and direct current is applied, moisture on the anode side (i.e., the desiccation side)
dissociates into hydrogen ions and oxygen.

2 The hydrogen ions travel through the solid polymer electrolytic membrane and Inside of
interferometer
reach the cathode side (i.e., the moisture discharge side).

3 At the cathode, the hydrogen ions react with oxygen in the air to form (gaseous)
water vapor, which is released outside the interferometer. Light source

Aperture

Anode
Moving mirror
(desiccation side) Collimator
mirror
BS

Cathode Laser Detector

Fixed
(moisture discharge side) mirror

He–Ne laser
Automatic
Dehumidifier

Replacing the window (KBr) at the sample compartment with an optional

KRS-5 window (P/N 206-74211-46) ensures safe operation with no concern for
Condensing
the window plate becoming cloudy under a high humidity environment. mirror

KBr window
Detector Sealing case

* Model case by SHIMADZU

6 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
The IRTracer-100's interferometer is optimized and stabilized using a combination of a smooth moving mirror system and the Advanced
Dynamic Alignment. To assure that the IRTracer-100 is always in the optimum operating condition, a self diagnoses routine monitors
the operation of the system at initialization and constantly during operation In addition, standard EP/CHP/JP/USP/ASTM validation
programs are provided to evaluate the FTIR performance.

Incorporation with Advanced Dynamic Alignment

Achieving reproducible optical interference in a and stable quality spectra after only a short warm-up time.
spectrophotometer requires a robust interferometer design. Sampling at over 5000 times/second the Advanced Dynamic
The interferometer in the IRTracer-100 easily meets this Alignment keeps the IRTracer-100 in optimum operating
requirement. The smooth moving mirror system monitored by condition. In addition, the Advanced Dynamic Alignment system
the Advanced Dynamic Alignment (Japanese Patent No. automatically aligns the interferometer when the beam splitter
3613171) system allows the IRTracer-100 to provide optimum is changed for NIR or FIR analysis.

Laser detector Light source

He–Ne laser

Moving mirror

Beam splitter

Detector
Fixed mirror

Four Benefits of Advanced Dynamic Alignment

Removes the influence Allows the FTIR to be Shorter warm-up Provides for
of environmental powered off when not in use* times and a maintenance-free
variations ( saving
the environmental impact (
electricity and reducing
enhanced stability system

Scheme of Advanced Dynamic Alignment

1 2 3 4 The difference 5 The inclination of

The interference The calculated
The quality of between these the fixed mirror is
pattern of interference is compared
the produced interference patterns continuously adjusted to
the He–Ne laser light with stored patterns
interference is calculated by eliminate any difference and
is detected by obtained under optimum
is calculated. an advanced maintain optimum operating
the Laser Detector. operating conditions.
digital signal processor. sampling conditions.

* Automatic Dehumidifier is working.

IRTracer-100 7
 Reliable High Performance
Self-diagnostics and monitoring technology allow for quick, easy instrument management.

Five Self-Diagnostic Functions

The IRTracer-100 executes a self-diagnosis at instrument initialization, checking the
electrical, signaling, and optical systems. If the interference conditions are not optimum,
they are adjusted and optimized using the Advanced Dynamic Alignment mechanism.

The internal status monitor function offers continuous monitoring of the beam splitter
type, the light source, the He–Ne laser, humidity condition, and information related to
auto-start accessories.

The hours*1 used on the ceramic source and He–Ne

laser as well as the time remaining before the next
periodic inspection are monitored.

When the beam splitter is exchanged for Near IR and Far

IR analysis, the IRTracer-100 automatically detects the
new beam splitter. In addition, when an accessory is
installed, the accessory is automatically identified and
optimum measuring conditions are automatically set*2.

Diagnostic and monitoring results are recorded in logs

for reference.

*1 3-year warranty for light source and 30-month warranty for He–Ne laser *2 Only when QuickStart accessories are installed.

8 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Validation Program Verifies FTIR Performance
The IRTracer-100 is equipped with a validation program that the basic performance of the instrument using a polystyrene
complies with the European*), Japanese, Chinese, and U.S.**) film, and creates reports of the results. If any failure is
Pharmacopoeias and with ASTM (American Society for Testing detected, simply use the Advanced Dynamic Alignment
and Materials) specifications. The validation program checks mechanism to adjust and optimize the IRTracer-100.

Test Specifications Complying with the European, Test Specifications for ASTM
Japanese, Chinese, and U.S. Pharmacopoeias (ASTM E1421 Level Zero)

• Shape and intensity of a power spectrum

• The following specifications for a polystyrene • Energy intensity test based on the power spectrum
spectrum are verified:
• Resolution • Noise test based on a 100% transmittance spectrum
• Wavenumber accuracy • Reproducibility test based on a polystyrene spectrum
• Wavenumber reproducibility
• Transmittance (absorbance) reproducibility

*) : The Indian Pharmacopoeia has been unified with the European Pharmacopoeia.
**) : The United States Pharmacopoeia states that validation should be performed according to the method specified by the equipment manufacturer.

IRTracer-100 9
 New Generation of Workstation
LabSolutions IR, a member of the LabSolutions family, has been optimized for
network applications, includes an extensive library of spectra, and features a
high-performance search function. In addition, Macro functions provide
automation and labor savings.

10 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Fast, Easy-to-Use LabSolutions IR Series Software
LabSolutions IR easily executes FTIR operations such as scanning, data manipulation, quantitation, reporting, saving, user administration,
and more. High-level administrative functions and a variety of data manipulation functions provide for an easier, more user-friendly
analysis environment. In addition, numerous optional programs are available to address all modern laboratory needs.

Run Dedicated LabSolutions IR Programs

or Windows Applications Easily with
the Dedicated LabSolutions IR Launcher.
LabSolutions IR includes a number of dedicated programs, including
Postrun, Spectrum, and Quantitation, which are easily launched using the
LabSolutions IR Launcher. In addition, macro programs and Windows
applications can be registered with the LabSolutions IR Launcher for quick
and easy start-up.

Launcher

Excellent Features of LabSolutions IR Series

Network Features Programs

High-level security and user administration functions. Postrun, Spectrum, Quantitation, Photometric, Time course
Suitable for ER/ES regulations such as FDA 21 CFR Part 11, PIC/S, and more. (option), Mapping (option)

Management of FTIR as well as LC and GC data by the server on a network. All of the Postrun and measurement programs have a common
Main toolbar, Menu, Measurement toolbar, Tree view, and Log
window. The operation of each program is also similar, providing
Extensive Spectra Library and High-Performance Search Function a familiar feel no matter what task you are working.

Features a library containing approximately 12,000 spectra.

Reporting
Enables high-quality searching with standard libraries.
High-performance search methods, including Spectral, Text, Easy printing using the ViewPrint function and Free-layout reports.
Combination, and Peak searches.
Shimadzu's unique search algorithm provides precise search results.
Data Manipulation

A wide variety of data manipulation functions, including

Macro Program Functions Provide Automation and Labor-Savings
Advanced ATR correction and Kubelka–Munk conversion, and
Simply align steps to create a Macro program. quantitation functions, such as the multi-point calibration curve
method and CLS method, are standard.
Automated identification tests and contaminants analysis.

IRTracer-100 11
 Solutions Achieved with LabSolutions

Reliable LabSolutions Software

In addition to LabSolutions IR, which provides basic functionality, Shimadzu also offers LabSolutions DB IR and LabSolutions CS IR to
meet the requirements of ER /ES regulations.

LabSolutions DB IR
LabSolutions DB IR allows for secure data management by
integrating a data management function with LabSolutions IR.
Compliant with ER /ES regulations, the software is optimally
configured for customers using a PC. It is recommended for
facilities that do not require network connections and want to
be ER /ES compliant.

LabSolutions CS IR Client PC Laboratory or office LabSolutions Server

LabSolutions CS, which is freely accessible to the analysis

network, can be connected to IR, eliminating the need for
connecting a PC to the instrument. Since all the data are
managed on a server, LabSolutions CS IR can be read from any
personal computer on a network. With terminal service, Acquisition controller PC

LabSolutions IR can be controlled from a client PC without

installing LabSolutions IR on it. It is recommended for facilities
that have a large number of users, manage data in a database,
and want to be ER /ES compliant.

Name LabSolutions IR LabSolutions DB IR LabSolutions CS IR

Measured data files are saved and

Data management method Measured data files are saved and managed in the LabSolutions database.
managed in folders on the PC.

The software references files

Data references The software references files in the database.
on drives or in folders on the PC.

Available Available
LabSolutions database Unavailable
(The database resides on a local PC) (The database resides on a server)

User administration Available

Rights group administration Available
Project administration Unavailable Available

Only databases on the network can be used.

LabSolutions IR data can be viewed using the
Only the standalone configuration
Standalone / network Either can be used. database manager on a PC set up for viewing
can be used.
purposes. Note that LabSolutions IR must be
installed on the PC used for viewing.

Performed on a file-by-file basis

Data backup Performed for each database.
using Windows Explorer.

12 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Operate with LabSolutions, Shimadzu’s
reliable and popular workstation used
in chromatography and spectroscopic analysis.

Spectral Measurement Screen

Database Management Prevents Mistakes

With LabSolutions DB IR and CS IR, the analysis data are managed securely
by the database. Overwriting, deletion and other mistakes typical of data Analysis Postrun analysis Postrun analysis
file management do not occur.
In addition, when postrun analysis is performed using the acquired data, Revision Revision Revision
number: 1 number: 2 number: 3
postrun analysis data revision numbers are automatically assigned,
preventing the accidental overwriting of raw data.

Reduced operator errors

Solid Security
An audit trail to ensure the reliability of data and document e-mail also possible to set lockout functions to prevent illegal access, and set a
transmission functions when any event occurs in the system can be set up. registered user’s deletion and change. In addition, a box can be selected to
User accounts are managed using passwords, where password length, prevent overwriting a data file, and outputting an item to a report can also
complexity and term of validity must satisfy specified requirements. It is be performed.

Pertinent Information is Managed for Every Project

LabSolutions DB IR and CS IR provide a project management function Management can be suited to tasks!
enabling management suited to tasks and system operations. This function
enables equipment and user management, security policy, and data L ab So lu t io ns
s er ver
processing to be set on a project by project basis, thereby improving the
efficiency of data searches and management tasks. Project A Pr ojec t B

Project
A c c es s OK A
Project
data
B
data Access OK

Only shows data related to the project A u t h o r iz at io n

for more convenient data searching.

Visualization of the Sequence of Analysis Operations

Creating a report set* provides visibility of the individual analytical
operations involved in the overall analytical process. When analytical * Report sets include test methods and test results for a series of samples analyzed, and also a
operations are visible, it is easier to check for operating errors, which helps corresponding operation log (a record of all operating events from login to logout), which is
improve the efficiency and reliability of checking processes. automatically extracted from the data and summarized in a single report.

Sample information Analysis condition

Report Set
Operation history Results
Data File

IRTracer-100 13
 Extensive Spectra Library and a High-Performance Search Function
Features a library containing approximately 12,000 spectra.
Enables high-quality searching with standard libraries.

Approx. 12,000 -spectra library

A wide variety of libraries, including Shimadzu's unique libraries, reagents, polymers and more, is included standard.
Searching with standard libraries provides high-quality search results without purchasing extra libraries.

Contents

SHIMADZU Reagents Pharmaceutical products,

Food additives library agrichemicals

SHIMADZU Polymers Inorganic compounds

Contaminant library

Approximately 12,000 spectra included

High-Performance Search Functions

Obtain high-quality search results with four high-performance search methods (spectral search, peak search, text search and
combination search) and a library containing 12,000 spectra.
Libraries created on IRsolution and HYPER-IR and commercial libraries such as Sadtler and S.T. Japan can also be used.
Simply dragging spectra into a library creates a user library. In addition, editing spectral information or deleting a spectrum is very easy.

Search functions

Spectral search

Shimadzu's unique search algorithm provides accurate results.

Peak search

If you only have an old spectrum chart, searching can be

performed with peak wavenumbers without a spectrum file.

Other Optional Libraries

• Contaminant Library for LabSolutions IR
This is Shimadzu's latest original library. It is an effective tool for analyzing contaminants in tap water and food. In addition to containing
information on actually sampled contaminants and information about commercially available water supply maintenance parts, the library also
includes X-ray fluorescence profiles (PDF files) and significantly improves the accuracy of contaminant searches. Unlike existing libraries, this contains
data on mixed compounds and incorporates all the depth of knowledge and wide experience needed to make qualitative assessments.
• Thermal-Damaged Plastics Library *
Unlike existing libraries, this library contains data of degraded plastics that have been oxidized by heating. The library demonstrates its effectiveness
when the contaminants include degraded substances, as is often the case.

* The library was compiled by Shimadzu Corporation from spectra measured and acquired by the Hamamatsu Technical Support Center, Industrial Research Institute of Shizuoka Prefecture.

14 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Automation and Labor-savings with Macro Program Functions
LabSolutions IR automates routine work, such as scanning, data manipulation, reporting, identification tests, and
contaminants analysis.
Launch programs from the Launcher or your PC desktop.

Easy Macro—Just a Single Click Launches Routine Work

The “Easy Macro” function will create macros that are suitable for routine
work, particularly when repetitive operations are used. The macro builder
allows macros to be constructed by simply selecting and aligning
operations from a list. Once constructed, the macros can be registered
with the Launcher and Desktop for quick execution.
Operators who are not familiar with FTIR can easily operate the instrument.

Easy Macro Operations

Initialization of FTIR, configuration of scan parameters, spectrum measurement

Data manipulations, search, quantitation, printing

Repeat measurements, displaying messages, alarm sounds,

external program execution

Background measurement

Sample measurement

Print

ATR correction

Search

IRTracer-100 15
 Meeting the Needs
of a Wide Range of Analyses
A wide variety of programs and accessories is available in
order to meet the needs of various customers.

Customize
Your Own IRTracer-100 System
You can customize your own IRTracer-100 system with a
wide variety of accessories and easy-to-use software options
to meet the needs of your specific application.

Meeting the Needs of a Wide Range of Analyses

Pharmaceuticals Food Products Chemicals and Polymers

Raw material identification tests Raw material identification tests Raw material identification tests
Identification of functional groups of synthetic products Packaging material identification tests Qualitative analysis of plastics and rubber
Identification of functional groups of natural products Analysis of contaminants Identification of functional groups of synthetic products
Analysis of contaminants Analysis of surface preparation agents
Environmental Analysis and thickness measurement of thin films
Cosmetics Water analysis Analysis of catalysts
Material identification tests Soil analysis Analysis of paints and coatings
Analysis of contaminants Exhaust gas analysis Analysis of contaminants
Failure analysis Measurement of particles in water or air Quantitative analysis
Analysis of asbestos Recycle
Oil in water analysis

16 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
Electrical, Electronics, and Semiconductors Automobiles Academia
Thickness measurement of epitaxial films Material identification tests Research & Development
Quantitative analysis of interstitial oxygen and substituted carbon Analysis of contaminants Educational laboratories
Quantitative analysis of phosphorus and boron in BPGS Failure analysis
Quantitative analysis of hydrogen concentration in nitride film
Quantitative analysis of hydrogen concentration in amorphous silicon Metals
Detection of brominated flame retardants (RoHS) Qualitative analysis of thin films on metal plates
Analysis of thin films Analysis and thickness measurement of thin films
Analysis of contaminants Analysis of contaminants
Failure analysis
Analysis of semiconductor gases Construction
WEEE Material identification tests
Degradation analysis of coatings

IRTracer-100 17
 Various Application Programs Support All Analyses
LabSolutions IR includes two main application programs—for contaminant analysis and identification tests.
Even operators unfamiliar with FTIR analysis can easily use these programs and create reports in just a few seconds.

Contaminant Analysis Program

Combining Shimadzu's own algorithms (patent pending) with that of library spectra for common contaminants, this program identifies
contaminants with a high degree of accuracy. This easy-to-use program is conducive to all levels of operators.
Reports are automatically created after analysis, allowing operators with little knowledge of infrared analysis to easily perform analysis.

Four Features of the Contaminant Analysis Program

Contains spectra for over 550 inorganic substances, organic substances,

and polymers that are often detected as contaminants in Shimadzu's Analytical Applications Department.

Incorporates algorithms that focus on spectral characteristics, rather than performing simple spectrum searches.

Automates the process, including searching, judgment evaluation, and report creation.

Finds major and minor components and displays their ranks.

0.200
Abs
0.175

0.150

0.125

0.100
IRTracer-100 + MIRacle10
0.075

0.050

0.025

0.000

4000 3600 3200 2800 2400 2000 1800 1600 1400 1200 1000 800 600
Contaminant 1/cm

Sample: Contaminant caused during manufacturing

IRTracer-100 + AIM-9000 of an electronic part (approx. 1 mmø)
Accessory: Single reflectance HATR
MIRacle 10 with ZnSe prism

18 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Identification Test Program
This program makes pass/fail judgments about samples in accordance with the tests specified in the Pharmacopoeia. In addition to
identification tests for pharmaceutical products, this program can be used for incoming and pre-shipment inspections.

Four Features of the Identification Test Program

Prints out the spectra for standards and samples to facilitate easy comparison.

Detects and prints just the peaks that are specified for pass/fail judgment.

Calculation of the differences between the peak wavenumbers for standards and samples,
differences in intensity ratios between peaks, pass/fail judgments, and print out of reports.

Contains spectra of 57 samples of Japanese Standards of Food Additives in LabSolutions IR.

90
%T
80

70

60

50

40

30
IRTracer-100
20

10

4000 3600 3200 2800 2400 2000 1800 1600 1400 1200 1000 800 600 400
Lactose Lot No.11 1/cm

IRTracer-100 19
 EDXIR-Analysis Software (Option)
EDXIR-Analysis software is specially designed to perform qualitative analysis using data
acquired by an energy dispersive X-ray (EDX) fluorescence spectrometer and a Fourier
transform infrared spectrophotometer (FTIR).
This software is used to perform an integrated analysis of data from FTIR, which is excellent
at the identification and qualification of organic compounds, and from EDX, which is
excellent at the elementary analysis of metals, inorganic compounds and other content.
It then pursues identification results and the degree of matching. It can also be used to
perform EDX or FTIR data analysis on its own.
The library used for data analysis (containing 485 data files) is original to Shimadzu, and was
created through cooperation with water supply agencies and food manufacturers.
Additional data can be registered to the library, as can image files and document files in PDF
format. It is also effective for the linked storage of various types of data as electronic files.

Integrated Analysis of Contaminant Data and Data Comparisons for Confirmation Tests
To perform qualitative analysis automatically, simply click and also saves them in Word format*3.
“Analyze Both Data” and select the EDX /FTIR data*1. This
heightens the efficiency of data analysis and provides strong The examples here show an integrated analysis of black rubber
support for contaminant analysis. contaminant data and a data comparison for a polyvinyl chloride
In addition to a list of hits, the integrated data analysis results (PVC) examination object and the standard product. From the
show EDX profiles and FTIR spectra found as hits from the integrated data analysis results, it is evident that the black
library. If the user wishes to browse the respective data analysis rubber contaminant is acrylonitrile-butadiene rubber (NBR),
results, they can be checked by clicking “Single”. which contains calcium carbonate and zinc stearate. In addition,
In addition, with the data comparison function, which calculates from the data comparison, the degree of matching between the
the degree of matching between the actual measured data and PVC examination object and the standard product is 0.8506.
the data registered in the library, the software can be used for Lead (Pb) and acrylic were detected from the EDX and FTIR data,
countermeasures against “silent change”*2 and for other but not detected in the standard product. Accordingly, it is
confirmation tests. surmised that the examination object contains components
Clicking the “Print” button prints the results in a fixed format different to those in the standard product.

EDX Data FTIR Data

Loading the Acquired Data

Integrated Data Analysis Data Comparison

Integrated Data Analysis Results for a Black Data Comparison Results for a PVC Examination
Rubber Contaminant Object and the Standard Product

*1 Using the EDX profile, data are classified as inorganic, organic, and mixture. Integrated data analysis is performed by applying priority levels to each classification. (Patent pending)
*2 A term used in Japan to indicate changes to materials by suppliers without the knowledge of the manufacturers. *3 Microsoft Word must first be installed.

20 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
 Data Browsing and the Registration, Editing, Deletion of Data, Images, Document Files
By clicking “Edit” and selecting an existing library, the data, images and documents registered in the selected library can be browsed.
Data can be newly registered, edited and deleted. A new library can also be created. In addition, if data for a sample were acquired by
instruments other than EDX and FTIR instruments (such as a chromatograph, mass spectrometer, or surface observation system), it can
be converted into PDF format and then registered, enabling linked storage to the EDX /FTIR data.

Photographs,
Document Files,
Comments, and
Other Information

EDX Profiles,
Quantitation Results,
EDX Photographs, Comments,
and Other Information

Browsing Registered
Photographs

Browsing
Document Files

FTIR Spectra and Comments

All Data Are Linked and Stored

Sample Holder/Stocker for Contaminant Measurement

EDXIR-Holder (Option)
Measure the Samples Kept in the Holder with EDX and FTIR
The Holder Can Be Used as the Sample Stocker after the Measurement
Enables More Efficient Analyses
This foldable holder consists of adhesive layer with samples attached and polypropylene film designed for fluorescence X-ray. When
using EDX for measurement, close the holder and place the polypropylene film directly to the irradiation side (downside). When using
FTIR for measurement, open the holder and press the samples attached to the adhesive layer against the ATR prism. This enables the
replacement of samples, at a minimum, saving on labor and making analysis more efficient.

Prevents Loss of Samples

Close the holder after the measurement and it can be used as a sample stocker. It is not necessary to transfer the samples to other
containers, so there is no danger of losing samples.
Polypropylene Film Designed
for Fluorescence X-ray Adhesive Layer

How to Use with EDX Attach the Samples How to Use with FTIR

Close the holder and place the polypropylene When the Holder is Open Open the holder and press the samples attached
film to the irradiation side (downside). (Inside of the Holder) to the adhesive layer against the prism.

IRTracer-100 21
 Hardware Options
Integrated with sample compartments, the series of horizontal ATR accessories offers
improved purging performance, and eliminates the concern of dust entering the
IRTracer-100’s sample compartment. When an accessory is installed, the software displays
its name and serial number and sets the optimum scan parameters.

MIRacle 10 (P/N 206-74127-9x)

This is a single-reflection ATR accessory. To measure the spectrum of a liquid,

simply place it on the surface of the prism drop-wise. Measure solid samples by
simply clamping them onto the surface of the prism using the provided pressure
clamp. In addition, the MIRacle-10 enables easy measurement of large samples
(with a large surface area) without compromising sample integrity.
The incidence angle is 45°. Select from three prism options: ZnSe, Ge, and
diamond/ ZnSe, and whether the prism is equipped with a pressure sensor.
The Ge prism is ideal for samples with a high refractive index.

Powders Moldings Thin Films Films Liquids Rubber

GladiATR 10 (P/N 206-74128-9x)

This is a single-reflection ATR accessory. Because the prism is made solely of

diamond, it is capable of measuring spectra down to 400 cm -1. To measure the
spectrum of a liquid, simply place it on the prism drop-wise. To measure the
spectrum of the surface of other samples, clamp them firmly on the surface of
the prism. The incidence angle is 45° and you can select whether the prism is
equipped with a pressure sensor.

Powders Moldings Thin Films Films Liquids Rubber

HATR 10 (P/N 206-74126-91)

This is a horizontal ATR accessory. There are flat prisms for solids and troughs
for liquids. To measure the spectrum of a liquid sample, simply place it on the
prism drop-wise. To measure the spectrum of the surface of film and rubber
samples, clamp them firmly on the surface of the prism. The incidence angle is
45°, and the number of reflections is ten. In includes a ZnSe prism as standard;
use an optional Ge prism for samples with a high refractive index.

Films Liquids Rubber

22 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
DRS-8000A (P/N 206-62301-91)

Although powder samples are mixed with KBr, as with the KBr pellet method,
the DRS-8000A analyzes the samples in their original state; creating pellets is
not necessary. For plastic moldings, emery paper attached to the SiC sampler
(P/N 200-66750) scrapes off part of the surface, forming a powdered sample
that can be analyzed. Easily obtain diffuse reflectance spectra similar to
transmittance spectra using the built-in Kubelka–Munk conversion in the
LabSolutions IR software.

SiC sampler
Powders Moldings

SRM-8000A (P/N 206-62304-91)

Use this specular reflectance accessory, featuring a 10° incidence angle, for the
analysis of thin films on a metal plate with a µm order of thickness.
For mirror-like plastic samples, it measures the specular light reflected from the
sample surface. Kramers–Kronig analysis, available with LabSolutions IR
software, produces specular reflectance spectra similar to transmittance spectra.

Thin Films

RAS-8000A (P/N 206-62302-91)

Use this high-sensitivity reflection measurement accessory, featuring incidence

angles of 70° and 75°, for the analysis of thin films on a metal plate with a nm
order of thickness. Using it in combination with the GPR-8000 infrared polarizer
(P/N 206-61550) enables measurement with an even higher level of sensitivity.

Thin Films
GPR-8000

ATR-8000A (P/N 206-62303-91)

This accessory obtains spectra for the surfaces of film-like samples that are
clamped firmly on the surface of a prism. Incidence angles of 30°, 45°, and 60°
can be selected. The KRS-5 prism is standard.
A Ge prism is also available for samples with a high refractive index.

Films Rubber

* ATR spectra similar to transmittance spectra are produced by ATR correction.

IRTracer-100 23
 Infrared Microscope AIM-9000 (P/N 206-32000-58 (Narrow band MCT))

The AIM-9000 incorporates a bright, optimized optical system and a high-sensitivity MCT detector. Not only enabling high-sensitivity
measurement of micro samples, but the system has also been automated to ensure all steps involved in micro analysis can be
performed quickly and easily.

Features of the AIM-9000

Incorporates a bright, optimized optical system and a high-sensitivity MCT
detector to enable high-sensitivity measurement.
Enables reflection/ATR measurements on samples up to 40 mm thick.
Comes with a digital zoom function of up to 330× magnification using the
wide-view camera (optional) and the microscope camera. Enables the
measurement position to be quickly determined.
Includes an automatic contaminant recognition system that automatically
determines the measurement position as a standard feature.
Up to 60 measurement position can be recorded.
Includes a contaminant analysis program to identify the cause of failures as a
standard feature.

Note: In order to use this attachment, an external beam extraction kit (P/N 206-32570-42), an AIM connection kit Minute
(P/N 206-32607-42), and accessories for the AIM-9000 (P/N 206-32799-41) are required. Samples

ATR Objective (Ge prism: P/N 206-32600-41)

This objective lens is used when performing ATR measurements with the AIM-9000
infrared microscope. Using a cone-type prism, this single reflection objective features 15×
magnification and a 45-degree mean incident angle. The
Minute
slide-on type prism makes it easy to switch back and forth Samples
between visible observation and infrared measurement.

Mapping Program (AIMsolution) (P/N 206-32936-41)

The mapping program measures the absorption distribution on the surface of a sample and creates imaging data when used with the
Shimadzu AIM-9000 infrared microscope.
It allows setting of mapping parameters, such as the mapping range, the scan intervals, and the background positions, on the composite
visible images. It also supports area mapping and random mapping modes. In addition to mapping in the conventional transmittance and
reflectance modes, micro-ATR mapping is also available. (An optional ATR objective is required. It also requires a separate pressure sensor.)
From the acquired mapping data, it is possible to extract spectra and to perform calculations for specific peaks and functional group
mapping by multivariate analysis.

5-cm Gas Cell (P/N 202-32006-xx)

10-cm Gas Cell (P/N 202-32007-xx)
Long-Path Gas Cell
Gas cells are used for analysis of gas samples, and the path length is selected
based on the concentration of the samples. Gas cells with short path lengths of
5 or 10 cm and long path lengths of 10 m or more are available. Please contact
your Shimadzu representative for details on long-path gas cells.
5-cm Gas Cell

Gases Long-Path Gas Cell

24 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
MCT Kit (P/N 206-74254-91)

Use a high-sensitivity MCT detector when analyzing minute or LabSolutions IR. In addition, the software has a built-in liquid
low transmittance samples, or when performing measurement nitrogen monitor to terminate current flow when the detector
using a long path-length gas cell. The kit installs an MCT detector element is not being cooled, thus protecting the MCT detector. The
on the IRTracer-100. Switching between the standard DLATGS liquid nitrogen dewar is made of glass and does not require periodic
detector and the MCT detector is performed automatically from evacuation or yearly maintenance.
Note: This kit cannot be mounted at the same time as the Near IR Kit (P/N 206-74253-91). Liquid nitrogen is required when using the MCT detector.

Far IR Kit (P/N 206-30616-41)

Bands related to inorganic compounds and organometallic complexes are 3

typically observed in the far infrared region to 240 cm −1. The Far Infrared Kit Abs
2.5
contains a Csl beam splitter that can be mounted on the IRTracer-100 for
measuring spectra in this region. 2
Since absorption due to water is greater in the 400 cm −1 to 240 cm −1, the
1.5
instrument should be purged with desiccated air before performing
measurements. The Csl beam splitter should also be stored in a desiccator 1
when not in use since it is highly sensitive to moisture.
0.5

0 1400
2000 1800 1600 1400 1200 1000 800 600 400
Spectrum of Polyvinylidenechloride PVDC 1/cm

Near IR Kit (P/N 206-74253-91)

Attached to the IRTracer-100, this kit enables near-infrared Specifications Measurement Range: 12,500 to 3,800cm −1
measurement. LabSolutions IR switches between the mid-infrared Beam Splitter: Si/CaF 2
and the near-infrared. Light Source: Tungsten iodine lamp
Note: This kit cannot be mounted at the same time as the MCT Kit (P/N 206-74254-91). Detector: InGaAs

NIR Integrating Sphere IntegratIR A (P/N 208-97272-92)

Powders, tablets, liquids, fibers, plastic pellets and molded samples can be
placed on the sample stage for measurement (reflectance measurement).
Pre-treatment such as KBr dilution is not required.
Samples stored in a plastic bag or glass bottle can be measured.
Applications include qualitative or identification tests in acceptance
inspections and quantitative analysis of components in measured samples.
Features a built-in highly sensitive InGaAs detector.
Note: The IntegratIR installation kit (P/N 206-72715-93) must be purchased separately.

Please contact your Shimadzu representative about accessories that do not appear in this brochure.
For Other Accessories
Also note that it may not be possible to use FTIR-8000 Series accessories. Please consult your Shimadzu representative for assistance with using FTIR-8000 Series accessories.

IRTracer-100 25
 Software Options
Fast, easy-to-use LabSolutions IR can be equipped with a variety of optional software programs and applications.
LabSolutions IR incorporates data processing functions such as advanced ATR correction, degree of coincidence, differential
spectra, and Kubelka–Munk conversion, quantitation functions such as the multi-point calibration curve method and the
multi-regression method, as well as the spectral searching function as standard features. However, adding the following
optional software products makes it possible to further increase the application range.

Rapid Scan (P/N 206-30200-91)

The Rapid Scan option provides the capability of collecting and recording a maximum
of 20 spectra/second. This is especially suitable for fast reactions kinetics, where
reactions are completed in a few seconds.
Spectra obtained from Rapid Scan measurements can be used to calculate peak heights
and areas, which are used to determine kinetic rates.
The Rapid Scan interval is dependent on the resolution, number of scans, and mirror
speed. The fastest speed under a 16cm −1 resolution and a mirror speed of 40mm/s is
0.05 seconds for 1 accumulated scan. Maximum measurement time depends on scan
parameters.
The 3D Processing Program (P/N 206-74563-91) is required for analysis of Rapid Scan
spectra.

LabSolutions IR
Time Course Software (P/N 206-74558-91)

The time course program is used to collect spectra in regular intervals and creates a
time course dataset used to follow reactions as a function of time. Changes in peak
height and peak area can be used to calculate values related to reaction kinetics. Time
course information is saved and displayed in 3D (bird's eye view) or in a contour plot.
Simply modify parameters to recalculate the information.
The scan interval is dependent on resolution, number of scans, and mirror speed. The
fastest speed under a 16cm −1 resolution and a mirror speed of 9mm/s is 7 seconds for
1 accumulated scan. Maximum measurement time is 48 hours but it depends on scan
parameters. The time course software includes a 3D Processing Program.

LabSolutions IR
Mapping Program (P/N 206-74559-91)

The Mapping software allows mapping of absorption information on a sample surface

as a function of position when using the Shimadzu AIM-8800 Infrared Microscope.
The program allows setting of mapping parameters, such as the mapping range, the
scan intervals, and the background positions, on the composite images. In addition, it
supports area mapping, line mapping and random mapping modes.
In addition to mapping in the conventional transmittance and reflectance modes,
micro-ATR mapping with an optional ATR objective is also available. From the acquired
mapping data, it is possible to extract spectra and to perform calculations for
functional-group mappings for specific peaks. The data can be displayed as 3D images
or contour plots, or in spectral overlay mode.
This program includes a 3D Processing Program.

LabSolutions IR
Macro Platform (P/N 206-74562-91)

The Macro Platform is required to run the customized macro programs created by Shimadzu (for a fee). If, for
example, you wish to perform more advanced applications in which certain functions are used in a pre-determined
order, or you wish to run an automatic measurement system in combination with an auto sample changer, please
contact your Shimadzu representative for details.

26 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
LabSolutions IR
PLS Quantitation Program (P/N 206-74560-91)

Like multiple linear regression analysis, PLS (partial least squares) is a chemometrics
method widely used for the simultaneous quantitation of multiple components. The
PLS quantitation program incorporates PLS I and PLS II methods. It is possible to display
calculation values based on input values. PLS factors are based on "PRESS" values,
loading vectors, and score values. Analysis can be performed on the regression
equations obtained with the PLS method.

LabSolutions IR
Curve-Fitting (Peak-Splitting) Program (P/N 206-74561-91)

Usually, absorption bands in infrared spectra consist of overlapping peaks. The

curve-fitting (peak-splitting) program can be used to separate absorption bands into
individual peaks, separate peaks that have been influenced by hydrogen bonding, and
identify the peaks of functional groups that are hidden by absorption bands. Six types
of curves, including Gaussian, Lorentzian, and Gaussian+Lorentzian, are available for
separation analysis.
The curve can be selected in accordance with the form of the peaks in the absorption
band. The separated component peaks are displayed together with the resultant
spectra making it possible to evaluate the separation accurately.

LabSolutions IR
3D Processing Program (P/N 206-74563-91)

The 3D processing program offers the following functionality:

Changes the method of displaying data

• Display data in bird's eye view (3D), as an intensity distribution or using contour
lines, as a spectral overlay, or rotated.
3D data processing
• Isolate changes at specific wavenumbers.
• Functions include data extraction, data points thinning, smoothing, zero-baseline,
background correction, normalization, log conversion, first- or second-order
derivative, and ATR correction.
Creation of 3D data from spectra
Note: The 3D processing program cannot control mapping
• Create 3D data by consecutively arranging spectra measured at fixed intervals, such measurements or AIM-8800 series infrared microscopes.
as by repeated measurements.

Contaminant Library for LabSolutions IR (P/N 206-33179-91)

This unique library was created by Shimadzu especially for analyzing contaminants in tap water and food products.
The library includes information about samples actually collected as contaminants and service parts commercially
marketed for tap water applications. It also includes a collection of X-ray fluorescence profiles (PDF files).
Consequently, it can significantly improve the precision of contaminant searches. Unlike the previous libraries, this is
a mixture library that covers the extensive knowledge and experience necessary for qualitative analysis.

Thermal-Damaged Plastics Library* (P/N 206-33039-91)

Unlike the previous libraries, this library includes information about plastics that have degraded due to oxidation
associated with heat. It is especially useful for analyzing contaminants, which are commonly degraded.
* Shimadzu created this library from spectra measured and acquired from the Hamamatsu Industrial Technical Assistance Center of the Industrial Research Institute of Shizuoka Prefecture.

IRTracer-100 27
 Specifications

Hardware
Interferometer Michelson interferometer (30° incident angle)
Equipped with Advanced Dynamic Alignment system
Sealed interferometer with Automatic Dehumidifier

Beam splitter Germanium-coated KBr for Middle IR (Standard)

Germanium-coated CsI for Middle/Far IR (Optional)
Silicon-coated CaF 2 for Near IR (Optional)

Light source High-energy ceramic for Middle/Far IR (Standard) with 3 years guaranteed
Tungsten lamp for Near IR (Optional)

Detector DLATGS detector with temperature control for Middle/Far IR (Standard)

MCT (Hg– Cd–Te) with liquid nitrogen cooling for Middle/Near IR (Optional)
InGaAs for Near IR (Optional)

Wavenumber range 7,800 to 350cm −1 (Standard)

12,500 –240cm −1 (Optional, See figure for details)

Resolution 0.25, 0.5, 1, 2, 4, 8, 16cm −1 (Middle/Far IR)

2, 4, 8, 16cm −1 (Near IR)
Wavenumber accuracy 0.01cm −1
Mirror speed 4-step selection of 2.0, 2.8, 5, or 9mm/sec
10, 20, 30, or 40mm/sec for Rapid Scan (option)
Data sampling He–Ne laser with 30 months guaranteed

Scan range
Light Source Beam Splitter Detector Scan Range (cm −1) Necessary parts
Tungsten CaF 2 InGaAs 12,500–3,800 Near IR Kit (P/N 206-74253-91)
Ceramic KBr DLATGS 7,800–350 Standard
MCT 5,000–720 MCT Kit (P/N 206-74254-91)
CsI DLATGS 5,000–240 Far IR Kit (P/N 206-30069-91)

Scan wavenumber with options 770 nm 1 µm 2 µm 10 µm 20 µm 50 µm

NIR MIR FIR

The orange bar expresses the wavenumber
range that can be measured with the Light Tungsten-halogen Lamp (12,500–3,800 cm −1)
Source
standard configurations. Ceramics (7,800–240 cm −1)
The red, yellow and brown bars express the
wavenumber range that can be measured Beam CaF 2 (12,500–3,800 cm −1)
Splitter
when utilizing various options. KBr (7,800–350 cm −1)

CsI (5,000–240 cm −1)

Detector InGaAs (12,500–3,800 cm −1)

DLATGS (7,800–240 cm −1)

MCT (5,000–650 cm −1)

13,000 cm −1 10,000 cm −1 5,000 cm −1 1,000 cm −1 400 cm −1 200 cm −1

28 F o u r i e r Tr a n s f o r m I n f r a r e d S p e c t r o p h o to m e t e r
Software (LabSolutions IR)
OS Windows 7 Professional 32/64 bit edition
Windows 10 Pro 64 bit edition

Interface USB 2.0, USB 3.0

Programs Postrun, Spectrum, Quantitation, Photometric, Time course (option), Mapping (option)

Manipulation functions Four Arithmetic Operations, Normalize, Zero Baseline Correction, 3 Point Baseline Correction,
Multipoint Baseline Correction, Smoothing, Derivative, Cut ,Connect, Reduce, Interpolate, Frequency Convert,
X Adjust, Time-Temperature Conversion, Peak Pick, Film Thickness, Data Calculation, Purity, Deconvolution, FFT,
Kubelka–Munk, ATR Correction, Kramers–Kronig, Atmosphere Correction, 3D Reprocess, 3D Extract

Search functions Spectrum search (based on similarity), peak search, text search, combination search, setting of search conditions,
search of user library and commercial library, creation of user library
Library of approx. 12,000 spectra of organic compounds, polymers, pharmaceutical products, inorganic
compounds, food additives, contaminants, etc. included

Quantitative functions Multi-point calibration curve method

CLS quantitative method
PLS quantitative method (option)
Photometrics
Recalculation function for quantitative and photometric results

Printing functions Report template creation

Printing using report templates
Easy printing using the ViewPrint function (patent pending)

Validation program Complies with Chinese, European, US, and Japanese Pharmacopoeias and ASTM

GLP/GMP support Tree-structured audit trail function

Recording of operation logs and data logs (history)
Saving by overwriting the same filename is prohibited

Security functions Coordination with LabSolutions security functions

User-group based privilege settings

File formats Files of JCAMP-DX, ASCII, CSV, IRsolution, HYPER-IR can be loaded and saved.

Computer / Printer
Type Desktop
Specifications Provide a computer and printer of a type recommended by SHIMADZU. Enquire separately for detailed specifications.

Other Specifications Dimensions (PC and printer dimensions are examples.)

Installation site Temperature: 15°C to 30°C; humidity regulated by 450
air-conditioning equipment
PRINTER PC
Humidity: 70% max.; with no condensation
300

Provide local ventilation systems as required by

500

applicable laws and regulations when analyzing or

665

using organic solvents.

Power requirements* 100 – 240 VAC,

450
50/60 Hz, 150 VA for operation, 8 VA for standby
900 600
* An additional power supply is required for the computer.

IRTracer-100 29
 IRTracer-100

For Research Use Only. Not for use in diagnostic procedures.

This publication may contain references to products that are not available in your country. Please contact us to check the availability of these
products in your country.
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Third-party trademarks and trade names may be used in this publication to refer to either the entities or their products/services, whether or not
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Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own.

www.shimadzu.com/an/ The contents of this publication are provided to you “as is” without warranty of any kind, and are subject to change without notice. Shimadzu
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© Shimadzu Corporation, 2017

First Edition: July 2013, Printed in Japan 3655-09707-30ANS