Spectra Databases - LaborPraxis
Spectra Databases - LaborPraxis
Spectra Databases - LaborPraxis
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
<strong>Spectra</strong> <strong>Databases</strong><br />
S.T. Japan-Europe offers a great variety of ATR-FTIR, FTIR Transmission, Raman, and NIR spectra databases.<br />
All spectra databases are available in the following spectral formats:<br />
A2 Technologies (now Agilent) - MicroLab PC<br />
ABB - Horizon MB<br />
ACD/Labs - ACD/UV-IR Manager, SpecManager<br />
Agilent- Varian – Resolutions, Resolutions Pro v4.1<br />
(and later versions), MicroLab PC<br />
Agiltron, Inc<br />
BaySpec, Inc.<br />
BioRad/Sadtler - KnowItAll, SearchMaster<br />
Bruker - Opus<br />
B&WTek Inc.- BWID<br />
Enwave Optronics, Inc.<br />
Essential FTIR<br />
Foster and Freeman Ltd - FORAM FireWire, FORAM<br />
X3<br />
Galactic - Grams/32, <strong>Spectra</strong>lID<br />
Horiba/Jobin Yvon - LabSpec<br />
Jasco - <strong>Spectra</strong> Manager Suite<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 1<br />
ATR-FTIR <strong>Spectra</strong> <strong>Databases</strong><br />
JEOL<br />
Kaiser Optical Systems - Grams32<br />
Lambda Solutions, Inc.<br />
LabCognition - Panorama, irAnalyze, RAMalyze<br />
LabControl - Spectacle<br />
Lumex - <strong>Spectra</strong>lum<br />
Mattson - WinFirst<br />
Perkin Elmer - Spectrum Expert Search, Spectrum<br />
Express<br />
Raman Systems, Inc. - RSIScan<br />
Renishaw - WIRE, Grams32<br />
Shimadzu - IRSolution, HyperIR<br />
Smiths Detection Ltd. (SensIR) - Hazmat, QualID,<br />
PharmID<br />
S&I, TriVista<br />
Thermo Nicolet – Omnic, Omnic Specta<br />
In cooperation with Aldrich, Smiths Detection, and Nicodom we have enhanced our spectra collections and offer the largest and<br />
most advanced collection of ATR-FTIR spectra databases unmatched in quality.<br />
All spectra were collected of samples of highest purity produced by the Aldrich Chemical Company and fine chemical manufacturers in<br />
Japan. Therefore, the spectra are taken of important, chemically significant compounds, which make the databases ideal for<br />
investigative analysis and quality control applications:<br />
Specifically prepared for identifying unknowns measured by ATR-FTIR<br />
All spectra measured using single bounce Diamond ATR<br />
All data has been reviewed by trained spectroscopists<br />
Name, CAS number, molecular formula and additional information with most spectra*<br />
Lists of compounds/spectra in each database are available in pdf format<br />
13.557 ATR-FTIR spectra of pure compounds produced by fine chemical manufacturers in Japan (ICHEM <strong>Spectra</strong>):<br />
<strong>Spectra</strong>l range: 4000 cm -1 to 400 cm -1<br />
Resolution: 2 cm -1 or 4 cm -1<br />
The diamond-sampling surface of the accessory is mounted on a KRS-5 focusing element, permitting the spectral range to<br />
extend down to 400cm -1<br />
All of the samples used in this collection are of 98% purity, or better<br />
18.513 ATR-FTIR spectra of compounds produced and measured by the Aldrich Chemical Company:<br />
<strong>Spectra</strong>l range: 4000 cm -1 to 650 cm -1<br />
Resolution: 2 cm -1 or 4 cm -1<br />
ZnSe focusing optics<br />
Specifications Smiths Detection and Nicodom <strong>Spectra</strong>:<br />
<strong>Spectra</strong>l range: 4000 cm -1 to 650 cm -1<br />
Resolution: 2 cm -1 or 4 cm -1<br />
ZnSe focusing optics
NAME & DESCRIPTION P/N<br />
ATR-FTIR Aldrich <strong>Spectra</strong> Database L10001<br />
18.513 ATR-FTIR spectra of compounds from the Aldrich collection of the Sigma-Aldrich Company.<br />
IChem <strong>Spectra</strong> Database L20001<br />
13.557 ATR-FTIR spectra of compounds from fine chemical manufacturers in Japan.<br />
Aldrich-IChem Package <strong>Spectra</strong> Database Volume 1-3 L30001<br />
36.639 ATR-FTIR spectra of compounds taken from either the Aldrich or the IChem databases with no duplication.<br />
Polymers and Polymer Additives <strong>Spectra</strong> Database L30002<br />
4.520 selected ATR-FTIR spectra of polymers, plastics, polymer additives, plasticizers and packing materials.<br />
Food Additives and Food Packaging <strong>Spectra</strong> Database L30003<br />
2.762 ATR-FTIR spectra of substances added to food, including substances regulated by the FDA. Also spectra of indirect food<br />
additives: substances that come into contact with food such as packaging and processing substances.<br />
Solvents <strong>Spectra</strong> Database L30004<br />
667 ATR-FTIR spectra of solvents selected from the Aldrich and IChem <strong>Databases</strong>.<br />
Organometallics and Inorganics <strong>Spectra</strong> Database L30005<br />
2.149 ATR-FTIR spectra of Organometallic, Inorganic, Silanes, Boranes and Deuterium compounds selected from the Aldrich and<br />
IChem databases.<br />
Biochemicals <strong>Spectra</strong> Database L30006<br />
5.343 ATR-FTIR spectra of Biochemicals selected from Aldrich and IChem and including vitamins, resins, starches, glycerides,<br />
fatty acids, sugars, carbohydrates, proteins and peptides.<br />
Aldehydes and Ketones <strong>Spectra</strong> Database L30007<br />
3.482 ATR-FTIR spectra of Aliphatic and Aromatic Aldehydes and Ketones selected from the Aldrich and IChem databases.<br />
Alcohols and Phenols <strong>Spectra</strong> Database L30008<br />
2.671 ATR-FTIR spectra of Alcohols and Phenols selected from the Aldrich and IChem databases.<br />
Esters and Lactones <strong>Spectra</strong> Database L30009-1<br />
4.170 ATR-FTIR spectra of esters and lactones selected from the Aldrich and IChem databases.<br />
Anhydrides and Carboxylic Acids <strong>Spectra</strong> Database L30009-2<br />
5.716 ATR-FTIR spectra of Anhydrides and Carboxylic Acids selected from the Aldrich and IChem databases.<br />
Hydrocarbons <strong>Spectra</strong> Database L30010<br />
1.175 ATR-FTIR spectra of Hydrocarbons and Halogenated Hydrocarbons selected from the Aldrich and IChem databases.<br />
Flavors, Fragrances, and Cosmetic Ingredients <strong>Spectra</strong> Database L30011<br />
2.716 ATR-FTIR spectra of flavors, fragrances, and ingredients used in the cosmetic industry.<br />
Pesticides <strong>Spectra</strong> Database L30012<br />
1.820 selected ATR-FTIR spectra of pesticides including insecticides, herbicides, algaecides and fungicides<br />
Semiconductor Chemicals <strong>Spectra</strong> Database L30013<br />
919 selected ATR-FTIR spectra a of chemicals used in the Semiconductor industry.<br />
Forensic <strong>Spectra</strong> Database L30014<br />
3.579 ATR-FTIR spectra of compounds commonly of interest in the forensic laboratory.<br />
Dyes, Pigments, and Stains <strong>Spectra</strong> Database L30015<br />
2.857 ATR-FTIR spectra of selected dyes, pigments, stains and indicators.<br />
Sulfur and Phosphorus <strong>Spectra</strong> Database L30016<br />
5.336 ATR-FTIR spectra of sulfur and phosphorus containing compounds selected from the Aldrich and IChem databases.<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 2
NEW<br />
NEW<br />
Hazardous Chemicals <strong>Spectra</strong> Database L30017<br />
3.730 ATR-FTIR spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and<br />
USCG Chris Hazardous Chemicals database.<br />
Hazardous and Toxic Chemicals <strong>Spectra</strong> Database L30018<br />
8.136 ATR-FTIR spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the<br />
USCG Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards <strong>Databases</strong> and including chemicals<br />
regulated under the Toxic Substances Control Act.<br />
Pharmaceuticals, Drugs, and Antibiotics <strong>Spectra</strong> Database L30020<br />
2.715 ATR-FTIR spectra of active substances and aids commonly used in pharmaceutical industry.<br />
High Production Volume (HPV) Chemicals <strong>Spectra</strong> Database L30021<br />
1.315 ATR-FTIR spectra of substances included in the HPV Challenge Program Chemical List. The U.S. high production volume<br />
(HPV) chemicals are those, which are manufactured in or imported into the United States in amounts equal to or greater than one<br />
million pounds p.a.<br />
Excipients <strong>Spectra</strong> Database L30022<br />
880 ATR-FTIR spectra of pharmaceutical and cosmetic excipients.<br />
White Powders <strong>Spectra</strong> Database L30023<br />
697 ATR-FTIR spectra of commercially available white powders and white chemical substances.<br />
Lubricants <strong>Spectra</strong> Database L30024<br />
1.682 ATR-FTIR spectra of lubricants and oils, including motor specific oils, such as gear and hydraulic oils, anticorrosion oils,<br />
fuels, but also natural oils and essential oils.<br />
Coatings <strong>Spectra</strong> Database L30025<br />
1.809 ATR-FTIR spectra of common coating materials. Various types of coating including binders, fillers, resins, pigments, dyes.<br />
Also typical types of enamels, primers, lacquers, powder coatings, stoving varnishes in fresh and cured form and many other<br />
compounds.<br />
Paints <strong>Spectra</strong> Database L30026<br />
2.507 ATR-FTIR spectra of art materials used in historical and modern paintings. This databases was developed especially for<br />
paintings renovators and conservators, art museums and for forensic purposes. It includes spectra of pigments (historical,<br />
inorganic, synthetic), fillers, binders, glues, varnishes, conservation materials, proteins, gums, oils, waxes, balsams, natural and<br />
synthetic resins, dispersions, dyes (natural, from plants and animals, synthetic), carbohydrates, and many other related<br />
compounds like typical solvents and polymers, cleaning agents, thickeners, retarders, chemicals and more.<br />
Selected Pure Compounds <strong>Spectra</strong> Database L30027<br />
5.000 ATR-FTIR spectra of selected pure compounds for educational institutions.<br />
Explosives <strong>Spectra</strong> Database L30103<br />
405 ATR-FTIR spectra of explosive materials such as nitrates esters, nitro-aromatics, nitramines, etc.<br />
(<strong>Spectra</strong> are not included in L30001)<br />
Takayama Plastic Additives ATR <strong>Spectra</strong> Database L30104<br />
632 ATR-FTIR spectra of polymers, plasticizers, antioxidants, stabilizers, UV absorbers, fillers, etc. produced by Japanese<br />
chemical manfacturers. (<strong>Spectra</strong> not included in L30001)<br />
IR Essential Oils <strong>Spectra</strong> Database L70133<br />
543 ATR-FTIR spectra of pure essential oils, carrier oils, additives used for dilution, stabilization and further refinement and pure<br />
component of essential oils. (<strong>Spectra</strong> are not included in L30001)<br />
IR Petrochemicals <strong>Spectra</strong> Database L70134<br />
1.054 ATR-FTIR spectra of a large range of aliphatic, aromatic and naphthenic organic chemicals and their important derivatives.<br />
Further spectra of crude oils from different reservoirs and of typical mixtures of the crude oil refining process are included<br />
(<strong>Spectra</strong> are not included in L30001).<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 3
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 4<br />
FTIR (Transmission) <strong>Spectra</strong> <strong>Databases</strong><br />
Highest Quality Data: With 23.000 spectra this is one of the largest and highest quality FTIR databases in the world. The data has been<br />
measured at the Japanese National Laboratories using various sample preparation methods:<br />
KBr<br />
Liquid Film<br />
Nujol<br />
Traceability of Data: The SDBS data was measured at the National Institute of Advanced Industrial Science and Technology/Japan<br />
(AIST) under strict controls. The quality of the spectra are continuously verified by expert spectroscopists. The instruments were regularly<br />
maintained and calibrated. High purity samples were obtained from fine chemical producers in Japan and were checked using NMR and<br />
MS. Data input was checked through secondary verification<br />
Resolution: 2 cm -1 or 4 cm -1<br />
<strong>Spectra</strong>l range: 4000 cm -1 to 400 cm -1<br />
Contains highest purity standard samples; also Polymers and commercial samples<br />
Name, CAS number, molecular formula and additional information with most spectra*<br />
Lists of compounds/spectra in each database are available in pdf format<br />
NAME & DESCRIPTION P/N<br />
FTIR KBr <strong>Spectra</strong> Database<br />
22.995 spectra measured using KBr sample prep methods.<br />
L40001<br />
FTIR Liquid Film <strong>Spectra</strong> Database L40004<br />
7.018 spectra measured using Liquid Film sample prep methods.<br />
FTIR Nujol <strong>Spectra</strong> Database L40005<br />
21.127 spectra measured using Nujol sample prep methods (two volumes).<br />
Polymer and Polymer Additives <strong>Spectra</strong> Database L50002<br />
1.273 KBr & Liquid Film spectra of polymers, plastics and polymer additives.<br />
Food Additives and Food Packaging <strong>Spectra</strong> Database L50003<br />
1.684 KBr & Liquid Film spectra of substances added to food, including substances regulated by the FDA. Also spectra of<br />
substances that come into contact with food such as packaging and processing.<br />
Solvents <strong>Spectra</strong> Database L50004<br />
668 KBr & Liquid Film spectra of solvents.<br />
Organometallics and Inorganics <strong>Spectra</strong> Database L50005<br />
1.445 KBr & Liquid Film spectra of Organometallic, Inorganic, Silanes, Boranes and Deuterium compounds.<br />
Biochemicals <strong>Spectra</strong> Database L50006<br />
4.590 KBr & Liquid Film spectra of Biochemicals including vitamins, resins, starches, glycerides, fatty acids, sugars, carbohydrates,<br />
proteins and peptides.<br />
Aldehydes and Ketones <strong>Spectra</strong> Database L50007<br />
4.226 KBr & Liquid Film spectra of Aliphatic and Aromatic Aldehydes and Ketones.<br />
Alcohols and Phenols <strong>Spectra</strong> Database L50008<br />
2.744 KBr & Liquid Film spectra of Alcohols and Phenols.<br />
Esters and Lactones <strong>Spectra</strong> Database L50009-1<br />
4.335 KBr & Liquid Film spectra of Esters and Lactones.<br />
Anhydrides and Carboxylic Acids <strong>Spectra</strong> Database L50009-2<br />
4.920 KBr & Liquid Film spectra of Carboxylic Acids and Anhydrides.<br />
Hydrocarbons <strong>Spectra</strong> Database L50010<br />
1.417 KBr & Liquid Film spectra of Hydrocarbons and Halogenated Hydrocarbons.
Flavors, Fragrances, and Cosmetic Ingredients <strong>Spectra</strong> Database L50011<br />
1.912 KBr & Liquid Film spectra of flavors, fragrances, and ingredients used in the cosmetic industry.<br />
Pesticides <strong>Spectra</strong> Database L50012<br />
958 KBr & Liquid Film spectra of pesticides including insecticides, herbicides, algaecides and fungicides.<br />
Semiconductor Chemicals <strong>Spectra</strong> Database L50013<br />
664 KBr & Liquid Film spectra of chemicals used in the Semiconductor industry.<br />
Forensic <strong>Spectra</strong> Database L50014<br />
1.555 KBr & Liquid Film spectra of compounds commonly of interest in the forensic laboratory.<br />
Dyes, Pigments, and Stains <strong>Spectra</strong> Database L50015<br />
1.473 KBr & Liquid Film spectra of selected dyes, pigments, stains and indicators.<br />
Sulfur and Phosphorus <strong>Spectra</strong> Database L50016<br />
5.025 spectra of sulfur and phosphorus containing compounds<br />
Hazardous Chemicals <strong>Spectra</strong> Database L50017<br />
2.664 KBr & Liquid Film spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and<br />
USCG Chris Hazardous Chemicals database<br />
Hazardous and Toxic Chemicals <strong>Spectra</strong> Database L50018<br />
6.604 KBr & Liquid Film spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the<br />
USCG Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards <strong>Databases</strong> and including chemicals regulated<br />
under the Toxic Substances Control Act.<br />
Pharmaceuticals, Drugs, and Antibiotics <strong>Spectra</strong> Database L50020<br />
2.806 KBr & Liquid Film spectra of active substances and aids commonly used in pharmaceutical industry<br />
High Production Volume (HPV) Chemicals <strong>Spectra</strong> Database L50021<br />
1.123 KBr & Liquid Film spectra of substances included in the HPV Challenge Program Chemical List. The US high production<br />
volume chemicals are those, which are manufactured in or imported into the US in amounts equal to or greater than one million<br />
pounds p.a.<br />
Excipients <strong>Spectra</strong> Database L50022<br />
438 Transmission spectra of pharmaceutical and cosmetic excipients.<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 5
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 6<br />
Hummel IR Transmission <strong>Spectra</strong> <strong>Databases</strong><br />
NAME & DESCRIPTION P/N<br />
IR Hummel Industrial Polymers Volume 1-3 L70001<br />
5.000 Transmission spectra: Each compound in Volume 1 is identified by its IUPAC or common names. Vol. 2 and 3 additionally<br />
contain the chemical structure. All Associated legends quote references, inform about the origin and the synthesis of the polymers<br />
as well as the sample preparation. Each compound is identified by its IUPAC or common names and chemical structure.*<br />
IR Hummel Industrial Polymers Volume 1 L70002<br />
1.910 IR spectra collection of polymers, elastomers and fibers consists of spectra of natural and synthetic construction polymers,<br />
natural and synthetic fibers, elastomers, miscellaneous resins like natural resins, paint and finishing resins, impregnation and<br />
casting resins, dispersion, moulding and printing inks, oils, fats, waxes, tars, inorganic compounds, adhesives, putties, cements,<br />
protective colloids, curing agents, initiators and activators, accelerators and modifiers.<br />
IR Hummel Industrial Polymers Volume 2 L70003<br />
1.570 spectra: The following is a breakdown of the monomer classes presented in the database: Vinyl monomers, pyrolyzates,<br />
alcohols, phenols carboxylic acids and their salts, esters, anhydrides, amides, hydrazides, urethanes, cyanates, fulminates,<br />
heterocycles, amino and thiocarboxylic acids, sulphonamides, technical solvents and more.<br />
IR Hummel Industrial Polymers Volume 3 L70004<br />
The database contains 1.520 FT-IR spectra within the following classes: antioxidants, stabilizer (including PVC stabilizer), light<br />
stabilizer, coloring agents, brightening agents, fillers, plasticizers, elasticators, extenders, processing agents, textile auxiliaries,<br />
vulcanization agents and rubber auxiliaries.<br />
IR Hummel Defined Polymers L70011<br />
2.900 polymer spectra with extensive sample information.<br />
IR Hummel Defined Polymers, Basic Collection L70012<br />
1.140 selected infrared spectra from the collection "Defined Polymers.<br />
IR Hummel Infrared Surfactants Collection L70021<br />
This database contains 1.020 spectra of surfactants. It has been compiled by Professor Dieter Hummel, University of Cologne in<br />
co-operation with Chemical Concepts.<br />
IR Industrial Organic Chemicals L70031<br />
20.095 Infrared spectra of 17.770 common organic compounds produced by chemical companies. 5,600 of these spectra are<br />
taken from literature spectra and recalculated from peak tables. In addition to the molecular structure, in most cases the following<br />
information is available: Chemical name, Purity, Melting point, Boiling point, Density, Molecular formula, Molecular weight, CAS-<br />
No, Measurement conditions, Resolution.*<br />
Other 3 rd Party Transmission <strong>Spectra</strong> <strong>Databases</strong><br />
Takayama Plastics Additives Transmission <strong>Spectra</strong> Database L50104<br />
654 Transmission spectra of antioxidants, plasticizers, lubricants, UV absorbers, light stabilizers, fillers, etc produced by Japanese<br />
chemical manufacturers. (<strong>Spectra</strong> are not included in L40001)<br />
Nicodom Kidney Stone <strong>Spectra</strong> Database L70120<br />
1.668 transmission spectra of human kidney stones and related chemicals. This is a collection of compounds found in human kidney<br />
such as different types of oxalates, phosphates, urates, other minerals and their mixtures as well as stones of drug or organic origin.<br />
(<strong>Spectra</strong> are not included in L40001)<br />
Toronto Forensic <strong>Spectra</strong> Database L70061<br />
This extensive library is one of the most widely-used collections of its kind for forensic scientists and investigators. The Toronto<br />
Forensic Library contains 3.800 FT-IR spectra of illegal and legal drugs, drug precursors and reagents used to prepare them and<br />
other substances encountered in forensic analysis. The major divisions of substances are organic, inorganic, natural and commercial<br />
products. (<strong>Spectra</strong> are not included in L40001) Please note:The spectra of this database were measured at the Forensic Laboratories of the<br />
Canadian Department of Health and Welfare in Toronto. (<strong>Spectra</strong>l Range: 4000 cm -1 to 650 cm -1 , Resolution: 2 cm -1 or 4 cm -1 )<br />
NIST Vapor Phase IR <strong>Spectra</strong> Database L70062<br />
5.228 IR spectra from two sources: "EPA Vapor-Phase IR Library" (3.108 spectra) and from NIST laboratories (2.120 spectra).<br />
The original EPA-IR collection contained 3,300 spectra measured by GC-IR under EPA contract. These were measured at 4 cm -1<br />
resolution from 450 to 4000 cm -1 . NIST spectra were measured on an integrated capillary GC-MS-IR instrument at 8 cm -1<br />
resolution, most between 550 and 4,000 cm -1 . <strong>Spectra</strong> included in the NIST/EPA IR data file have been baseline corrected using a<br />
single algorithm for all spectra and all have been converted to exact 8.0 cm -1 resolution. This was done to ensure homogeneity of<br />
the data. EPA spectra are given in the range 450 - 3966 cm -1 , and NIST spectra were acquired from 550 - 3846 cm -1 .
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 7<br />
Raman <strong>Spectra</strong> <strong>Databases</strong><br />
This Raman <strong>Spectra</strong> Database contains 10.113 searchable Raman spectra. The spectra were measured at the National Institute of<br />
Advanced Industrial Science and Technology (AIST) in Japan and by our scientists at S.T. Japan, Inc.<br />
Highest sample purity<br />
All spectra have been reviewed and evaluated<br />
<strong>Spectra</strong>l range 4000 cm -1 to 200 cm -1 , Minerals and Inorganic <strong>Spectra</strong> Database: <strong>Spectra</strong>l range 1500 – 100 cm -1<br />
<strong>Databases</strong> can be chosen by spectral resolution: 1 cm -1 , 2 cm –1 and 4 cm –1<br />
Excitation laser wavelength for most spectra: 532 nm or 488 nm<br />
Name, CAS number, molecular formula and additional information with most spectra*<br />
Lists of compounds/spectra in each database are available in pdf format<br />
NAME & DESCRIPTION P/N<br />
Raman <strong>Spectra</strong> Database<br />
Complete collection of 8.694 Raman spectra.<br />
L60001<br />
Polymer and Polymer Additives <strong>Spectra</strong> Database L60002<br />
929 Raman spectra of polymers, plastics and polymer additives.<br />
Food Additives and Food Packaging <strong>Spectra</strong> Database L60003<br />
1.075 spectra of substances added to food, including substances regulated by the FDA. Also spectra of indirect food additives:<br />
substances that come into contact with food such as packaging and processing.<br />
Solvents <strong>Spectra</strong> Database L60004<br />
469 Raman spectra of solvents.<br />
Biochemicals <strong>Spectra</strong> Database L60006<br />
1.900 Raman spectra of Biochemicals partly including vitamins, resins, starches, glycerides, fatty acids, sugars, carbohydrates,<br />
proteins and peptides.<br />
Aldehydes and Ketones <strong>Spectra</strong> Database L60007<br />
1.079 Raman spectra of Aliphatic and Aromatic Aldehydes and Ketones.<br />
Alcohols and Phenols <strong>Spectra</strong> Database L60008<br />
891 Raman spectra of Alcohols and Phenol.<br />
Esters, Lactones, and Anhydrides <strong>Spectra</strong> Database L60009<br />
2.935 Raman spectra of Carboxylic Acids, Esters, Lactones and Anhydrides.<br />
Hydrocarbons <strong>Spectra</strong> Database L60010<br />
565 Raman spectra of Hydrocarbons and Halogenated Hydrocarbons.<br />
Flavors, Fragrances, and Cosmetic Ingredients <strong>Spectra</strong> Database L60011<br />
1.030 Raman spectra of flavors, fragrances, and ingredients used in the cosmetic industry.<br />
Pesticides <strong>Spectra</strong> Database L60012<br />
468 Raman spectra of pesticides including insecticides, herbicides, algaecides and fungicides<br />
Semiconductor Chemicals <strong>Spectra</strong> Database L60013<br />
371 Raman spectra of chemicals used in the Semiconductor industry.<br />
Forensic <strong>Spectra</strong> Database L60014<br />
748 Raman spectra of compounds commonly of interest in the forensic laboratory.<br />
Dyes, Pigments, and Stains <strong>Spectra</strong> Database L60015<br />
300 Raman spectra of selected dyes, pigments, stains and indicators.
Sulfur and Phosphorus <strong>Spectra</strong> Database L60016<br />
977 Raman spectra of sulfur and phosphorus.<br />
Hazardous Chemicals <strong>Spectra</strong> Database L60017<br />
1.361 Raman spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and USCG<br />
Chris Hazardous Chemicals database.<br />
Hazardous and Toxic Chemicals <strong>Spectra</strong> Database L60018<br />
3.035 Raman spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the USCG<br />
Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards <strong>Databases</strong> and including chemicals regulated<br />
under the Toxic Substances Control Act.<br />
Pharmaceuticals, Drugs, and Antibiotics <strong>Spectra</strong> Database L60020<br />
1.172 Raman spectra of active substances and aids commonly used in pharmaceutical industry.<br />
High Production Volume (HPV) Chemicals <strong>Spectra</strong> Database L60021<br />
697 Raman spectra of substances included in the HPV Challenge Program Chemical List. The U.S. high production volume (HPV)<br />
chemicals are those, which are manufactured in or imported into the United States in amounts equal to or greater than one million<br />
pounds p.a.<br />
Minerals and Inorganic Materials <strong>Spectra</strong> Database L60022<br />
1.419 Raman spectra of minerals and inorganic materials. (<strong>Spectra</strong>l range 1500 – 100 cm -1 )** (<strong>Spectra</strong> are not included in 60001)<br />
Minerals <strong>Spectra</strong> Database L60022-1<br />
454 Raman spectra of minerals, extracted from database 60022. (<strong>Spectra</strong>l range 1500 – 100 cm -1 )**. (<strong>Spectra</strong> are not included in<br />
60001)<br />
Inorganic Materials <strong>Spectra</strong> Database L60022-2<br />
965 Raman spectra of inorganic materials, extracted from database 60022. (<strong>Spectra</strong>l range 1500 – 100 cm -1 )**. (<strong>Spectra</strong> are not<br />
included in 60001)<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 8
NEW<br />
NEW<br />
NEW<br />
NEW<br />
NEW<br />
NEW<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 9<br />
NIR <strong>Spectra</strong> <strong>Databases</strong><br />
The near infrared spectral library „IS NIR <strong>Spectra</strong>“ (Intergrating Sphere) is a unique collection with over 6.000 NIR spectra of chemical<br />
compounds. It is the biggest and newest NIR library available on the market.<br />
This spectral library has been designed for users who use their NIR spectrometer not only for quantitative and chemometric analysis,<br />
but also want to identify unknown samples or just want to use the library as reference spectra database.<br />
The library spectra were collected using a FT-NIR Spectrometer equipped with Integrating Sphere Accessory.<br />
<strong>Spectra</strong>l range in wavenumbers units: 4200-10000 cm -1<br />
<strong>Spectra</strong>l range in wavelength units: 2.4 – 1 micrometers<br />
Standard resolution: 4cm -1 in the spectral range<br />
Customized resolution: Upon special request the spectra can be delivered in customized resolution for better<br />
correspondence with the spectra you have measured on your NIR instrument.<br />
Typical information about the sample contains compound name including synonyms, CAS number, chemical formula,<br />
molecular weight and additional information about the sample such as manufacturer and comments.<br />
Only one compound/spectrum covering the spectral range.<br />
This library is available as digital searchable library compatible with your spectroscopic software.<br />
This project, including sample collection and sample measurment, was performed during 2010-2012.<br />
IS NIR <strong>Spectra</strong> – Complete Collection L70181<br />
This collection includes all 6.049NIR spectra measured within this project. This includes organic and inorganic chemicals,<br />
pharmaceutical excipients, drugs, polymers, additives, coatings, dyes, pigments, toxic substances, hazardous substances such as<br />
explosives, agrochemicals and other types of materials.<br />
This collection should be chosen by customers with broad range of analytical applications.<br />
IS NIR <strong>Spectra</strong> – Starter L70182<br />
1.043 NIR spectra of a selection of common organic and inorganic chemicals, common pharmaceutical related substances and<br />
common polymers. It has been designed for beginners in the field of NIR spectroscopy.<br />
IS NIR <strong>Spectra</strong> – Pharma L70183<br />
This NIR sublibrary with 1.340 spectra has been designed for QC or R&D laboratories of the pharmaceutical industry, for<br />
laboratories studying drugs and forensic laboratories. It includes NIR spectra of pharmaceutical excipients, drugs or active<br />
substances and other supporting chemicals used in pharma industry.<br />
IS NIR <strong>Spectra</strong> – Polymer L70184<br />
1.740 NIR spectra for the polymer industry and research, recycling industry, packing material industry, coatings industry and other<br />
laboratories who use their NIR spectrometer for studying of polymers, polymer additives and other polymer related materials.<br />
IS NIR <strong>Spectra</strong> – Hazardous L70185<br />
1.718 NIR spectra of selected hazardous and toxic substances. It also includes spectra of agrochemicals and explosives. It can be<br />
used in forensic and environmental laboratories and anywhere where NIR is used as „first responder“.<br />
IS NIR <strong>Spectra</strong> – Dyes and Pigments L70186<br />
1.005 NIR spectra of dyes, pigments and related compounds.
Content: To help you determine which database fits best your needs, we provide for each database a pdf-file listing<br />
all substances/spectra in the respective database.<br />
Protection: To protect the spectral data from unauthorized & illegal usage and replication the databases are protected<br />
with an USB-Dongle.<br />
System Requirements: Windows 2000, Windows XP, Windows 7<br />
Service: To meet a wide range of application needs we constantly add new specialty databases. In case you do<br />
not find a database which fits your needs, please get in touch with us, to get the most recent update of all<br />
available spectra databases!<br />
We provide also customized spectra databases according to your individual requirements. Based on your<br />
list of substances (xls-sheet) we compile a specialized database for your research requirements.<br />
* The availability of sample information depends on the spectrum format/the search software you are using!<br />
** Perkin Elmer format: <strong>Spectra</strong>l range 1500 – 200 cm -1<br />
Please note: Due to peculiarities of the instrument manufacturers’ software the total number of spectra may slightly<br />
differ in some databases from the given numbers.<br />
All database products are provided on a CD.<br />
Important: Each order must designate search format and software version!<br />
Any more information you might need, please contact us at contact@stjapan.de<br />
All <strong>Spectra</strong> <strong>Databases</strong> vers7.4.docx, page 10<br />
S. T. Japan-Europe GmbH<br />
Rosmarstrasse 105 · D-50226 Frechen · Germany<br />
T. + 49 - (0) 2234 956372 · F. + 49 - (0) 2234 956373<br />
contact@stjapan.de · www.stjapan.de