AroChemBase

Chemical & Sensory Characterization

Alpha MOS Sales Meeting – Oct. 2012

Agenda

What is AroChemBase?
Who can use AroChemBase?
Modifiez le style du titre
Why use AroChemBase?
Main features of AroChemBase
Future AroChemBase V4
What is AroChemBase?

 A library of chemical compounds with their chemical and sensory

information for gas chromatography analysis
 Helps characterize compounds separated by gas chromatography
 Achieves compounds matching based on their Kovats index
Who can use AroChemBase?

 Alpha MOS instruments users

 GC-Electronic noses (HERACLES II, ULYS)
 Gas chromatographs (PR2100, PR3000)
 Directly integrated in AlphaSoft (software for system monitoring & data
acquisition/processing)
 Any gas chromatograph user
 Compatible with any gas chromatograph of the market
 Chromatograms need to be saved in cdf format
Why use AroChemBase?

 The most comprehensive chemical & sensory library ever

 Name, CAS number, Formula, Synonyms, Retention Index
 Related application areas & sensory attributes
 Flexible & customizable
 Ability to enrich the database with experimental data
 Possible extraction of tailored sub-libraries
 Easy to use
 Numerous search options per: compound, retention index,
interval of retention index, application area
 No specific skills required compared with other techniques such as MS
Main features of AroChemBase
Some figures (1)

 Kovats index of 44,295 compounds

 Official licensing with NIST database
 Around 2,000 compounds with sensory descriptors
 295,260 entries
 4,750 references of publications from more than 200 journals
 Information available for 128 gas chromatography columns
 Software available in 7 languages
 French, English, Japanese, Chinese, Korean, Spanish, German
Main features of AroChemBase
Some figures (2)

Compounds classified into 14 domains of activity

 Environment 442 compounds
 Herbicide 162 compounds
 Food 337 compounds
 Flavors & Flagrance 1 728 compounds
 Pesticide 612 compounds
 Solvent 368 compounds
 Pharmaceutical 205 compounds
 Forensic medicine 64 compounds
 Toxic 152 compounds
 Organic 80 compounds
 Sulphur 137 compounds
 Petrochemicals 108 compounds
 Synthesis 1 011 compounds
 Oxygenated 483 compounds
AroChemBase V4 under development process
New functionalities, better ergonomy

 Data exploration, database browsing

 Multi-criteria compounds search
 Chromatogram peaks identification & characterization
 Database customization: compounds addition/modification,
classification customization
AroChemBase V4 under development process
Data exploration

4. Possibility to
modify, delete or
1. Selection of a add compounds
class of
compounds

2. Display of the
compounds of
3. Display of the the selected
information on class
the selected
compound
AroChemBase V4 under development process
Compounds search

By Kovats index
By chemical
data

Combined
By sensory search
attributes

By compound
AroChemBase V4 under development process
Chromatogram analysis: integration

 File loading
 Chromatogram
integration
 Peak selection
 Kovats index
calculation
 Peaks identification
AroChemBase V4 under development process
Chromatogram analysis: identification

The compound
eluting at 17.13s
on DB-5 and at
18.4s on DB-1701
is identified as
2-methylpropanal