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List of Spectra /Compound Names IS NIR Spectra Pharma, Drugs (1340 spectra) The NIR sublibrary “IS NIR Spectra Pharma, Drugs (1340 spectra)” has been designed for QC or R&D laboratories of pharmaceutical industry, for laboratories studying drugs and forensic laboratories. It includes NIR spectra of pharnaceutical excipients, drugs or active substances and other supporting chemicals used in pharma industry. The near infrared spectral library „IS NIR Spectra“ is a unique collection of NIR (near infrared) digital spectra. The spectra have been collected in range 4200-10000 cm-1 (=2.4 – 1 micrometers). „IS NIR Spectra“ is the biggest and newest NIR library available on the market. This spectral library has been designed for users who use their NIR spectrometer not only for quantitative and chemometric analysis, but also want to identify unknown samples or just want to use the library as reference spectra database. ra IS means “Intergrating Sphere” and at the same time “Identify Sample”.t c Technical parameters: e The „IS NIR Spectra“ were collected using the FT-NIR Spepctrometer equipped with Integrating Sphere Accessory. S Resolution: standard 4cm-1 Customized resolution: upon special request the spectrIaR can be delivered in customized resolution to reach better correspondence with spectraN collected by customer NIR instrument Spectral range in wavenumbers units: 4200-10000 cm -1 Spectral range in wavelength units: 2.4 – 1 micromISeters Only one spectrum/compound covering the men tioned spectral range Typical text information about the sample includes (when available): Compound name including synonyms m CAS number o Chemical formula .c Molecular weight a Additional information about the starmple like manufacturer and comments. c Download a free NIR library eof 30 NIR spectra to check the compatibility of you instrument with the „IS NIR Spectra“. p -s Samples were selecterd and NIR spectra collected 2010-2012. i _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 1 from 63 This library is available as digital searchable library compatible with your spectroscopic software. Visit the „Download“ section of our webpage to select the correct library format. The spectra are available in wavenumbers (cm-1) units or wavelength (micrometer) units. Also the library can be delivered with SEARCH software or in *.pdf format (if you do not have a spectroscopic software). The near infrared spectral library „IS NIR Spectra” can be purchased as a complete collection of over 6049 spectra or as following application specific sublibraries. Ordering Code Library Name Number of Spectra ISNNCM-X IS NIR Complete Collection 6049 IS NIR Sublibraries*: ISNNST-X IS NIR Starter 1043 ISNNPH-X IS NIR Pharma, Drugs 1340 ISNNPO-X IS NIR Polymers, Additives 1740 ISNNHA-X IS NIR Hazardous, Toxic 1718 ISNNDY-X IS NIR Dyes, Pigments 1005 a * all sublibraries spectra are included in the complete collection ISNNCM-tXr and have the same technical parameters c e p S R I N IS m o .c a tr c e p s - ir _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 2 from 63 Example Spectra Pictures: NIR spectrum of Sucrose (powder), CAS: 57-50-1, C12H22O11, in cm-1 units (range 4200-10000 cm-1), the second spectrum in micrometers (2.4 – 1 micrometers), both resolution 4cm-1, Copyright Nicodom 2012 a tr c e p S IR N S I m o .c a tr c e p -s ir _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 3 from 63 List of Spectra /Compound Names L-Alanine L-Arginine L-Histidine L-Proline L-Serine L-Lysine Monohydrochloride L-Asparagine L-Asparagine *H2O L-Aspartic acid L-Cysteine L-Cysteine HCl L-Cystine L-Histidine Hydrochloride Monohydrate L-Hydroxyproline a L-Isoleucine tr L-Leucine c L-Lysine acetate e L-Methionine p L-Ornithine S L-(+)-Ornithine monohydrochloride L-Threonine R L-Tryptophan I L-Valine N D-Alanine S D-Arginine I D-Arginine hydrochloride D-Aspartic acid m DL-Alanine o DL-Asparagine monohydrate .c DL-Cystathionine a D-Leucine tr DL-Methionine c DL-Phenylalanine e DL-Tryptophan p D-Tryptophan s D-Valine r- Histamine i 3,4-Dihydroxy-L-Phenylalanine L-Lysine Monohydrochloride _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 4 from 63 L-Phenylalanine L-Tyrosine Citric Acid Sucrose (powder), Sugar, Confectioner's Talc Urea D-Glucose Monohydrate Titanium Dioxide Ethanol Toluene Benzoic acid Bicarbonate of soda Acetylsalicylic acid Benzene Glycine L(+)-Tartaric acid Paragum 501 (Polyacrylate) Acacia gum Carrageenan a Paraform tr Paraldehyde c PEG 7 Glyceryl Cocoate e Xanthan gum p Acetylated distarch adipate S Agar powder Candelilla wax R Carnauba wax I Ceresin N Cetaceum, Cetyl Palmitate 15 S Ethoxylated Lanoline 4000 I Lanolin Anhydrous Wax, Yellow Bees Wax m Tween 60, POE (20) Sorbitan Monopalmitaote Aliquat 336 .c Aluminium acetate basic a Aluminium Hydroxide tr Aluminium Stearate c Aluminosilicate e Ammonium Bromide p Brij 35, Polyoxyethylene s(35) Lauryl Ether Calcium Oxide - Dibutylphthalate ir Diethylenetriamine Disodium EDTA _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 5 from 63 Edetate Dipotassium Magnesium Ethyl palmitate Glycerol Stearate Glyceryl Stearate Gum Tragacanth Hexadecanoic Acid, Palmitic acid Iron (III) Hydroxide Iron (III) Oxide monohydrate, yellow Kaolin, Aluminum silicate dihydrate Magnesium acetate tetrahydrate Magnesium Chloride Magnesium Chloride Hexahydrate Magnesium Stearate Manganese stearate Mono and Diglycerides of fatty acids Nacrelon S-30 (pearlescent pigment) Octadecanoic Acid, Stearic Acid Oxide Aluminium Sodium Metasilicate a Sodium Silicate tr Sorbitan tristearate c Succinimide e Triton, X-100 p Tween 65, POE (20) sorbitan tristearate S 2,6-Di-tert-butyl-p-cresol (E)-Anethole R 1-Docosanol I 1-Octadecanol N 4-Methyl-2-pentanone S 6-Aminohexanoic acid I Aluminium Chlorohydrate Ammonium Acetate m Bentonite o Beta-cyclodextrine .c Butylated hydroxyanisole, BHA a Calcium chloride dihydrate tr Calcium Hydroxide c Calcium Lactate e Carbonate Sodium Decahydprate Carbonate Zinc Basic s Chloral hydrate - Citric Acid Monohydrairte Cocoamidopropyl Hydroxysultaine D-(+)-Malic acid _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 6 from 63 Dextrin D-Galactonic acid g-lactone Di(ethylene glycol) distearate Diphosphate Tetrasodium Dodecanoic acid Ethyl maltol Gallotannin Inositol Iron Citrate Isostearyl isostearate L-Lactic acid L-Lactic acid, Sodium salt L-Malic acid Magnesium Carbonate Basic Hydrate Metabisulfite Potassium Myristic acid Stearate Calcium Oil of Peppermint, Menthol Orthoboric Acid a Pentasodium triphosphate tr Persulfate Ammonium c Persulfate Sodium e Phenyl Salicylate p Phosphate Ammonium Dibasic S Phosphate Ammonium Monobasic Phosphate Calcium Dibasic R Phosphate Calcium Monobasic I Phosphate Potassium Monobasic N Phosphate Potassium Tribasic n-hydrate S Potassium chloride I Potassium Nitrate Ethanecarboxylic acid m Salicylic acid o Sodium Cetylsulfate .c Sodium Tetraborate Decahydrate a Stannous Chloride tr Sulfate Aluminium c Sulfate Ammonium e Sulfate Ferrous p Sulfate Magnesium s Sulfate Sodium Monoba-sic Thiosulfate Sodium ir Glycol Bis(Hydroxyethyl) Ether Zinc salicylate _______________________________________________________________________ IS NIR Spectra – Pharma, Drugs 1340 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 7 from 63 1,3-Butanediol 1,5-Cyclooctadiene 1,5-Pentanediol 1-Dodecene 1-Hexadecene 1-Nonanol 1-Propanol 1-Tetradecene 2,3-Butanediol 2-Benzyloxyethanol 2-Butanone 2-Methyl-1-propanol 2-Methyl-2-hexanol 2-Methyl-2-pentanol 2-Octanol 3-Amino-1-propanol Acetic anhydride Acrylonitrile Anethole a Benzaldehyde tr Benzyl alcohol c Butyl ether e Butyl formate p Butyraldehyde S Chloroform Cycloheptanol R Cyclohexanol I Cyclohexanone N Diethyl ethylmalonate S Diethyl malonate I Diethyl methylmalonate Diethyl oxalate m Diethyl phthalate o Diethyl propylmalonate .c Diethyl succinate a Diethylene Glycol Dibutyl Ether tr
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