Aroma & Chemical Compounds Analysis
AroChemBase V5
AroChemBase
A database of compounds for aroma & chemical analysis
 The most comprehensive chemical & sensory library ever
 Name & synonyms, formula, CAS number, molar mass, retention indices,
sensory descriptors, human sensory odor thresholds
 Classification of compounds by areas of application and chemical family
 Scientific literature bibliography
 44,000 compounds & 295,000 retention index values
 Around 2,000 compounds with sensory attributes
 More than 1,800 compounds with human sensory odor thresholds
 4,750 references to publications from more than 200 world major scientific journals
 Information available for 267 gas chromatography columns
 Available in English, French, Spanish, German, Japanese, Chinese & Korean
W hy use AroChemBase?
 Helps to characterize compounds separated by gas chromatography
 Retention index search performed on conventional 1D data
 Cross search available for two RIs obtained on different columns
 Boosts GC-MS identification of odor-related compounds & VOCs
 Facilitates the identification of molecules when combined with GC-O
W ho can use it?
 Alpha MOS instruments’ users
AroChemBase directly integrated into AlphaSoft (instrument control & data
processing software)
 HERACLES & ULYS electronic noses
Simultaneous identification on 2 columns
 PR2100 & PR3000 gas chromatographs
 Most GC and GC-MS users
Heracles e-nose
AroChemBase stand-alone software, compatible with any system equipped
with a FID, PID or TCD detector
 GC users: NetCDF files (any GC instrument), CSV or TXT files from main GC
instruments, other formats upon request
 GC-MS users: ASCII files from main GC-MS instruments
 Anyone wishing to consult the chemical & sensory library
AroChemBase stand-alone software, no analytical instrument required
ULYS e-nose
M ain applications
F OOD – B EVERAGE – PACKAGING – PHARMACEUTICALS – C OSMETICS &
 Aroma profiling
 Chemical characterization
 Sensory Benchmarking
 Competitive products or gold standard
MORE
 Off-odor identification
 Cause of defect
 Consumer claim
 Identification of inflection point during shelf life
 Re-formulation or retro-engineering
K ey features
 Powerful database search engine
Refine and improve your searches with the multi-criteria
search engine
 Name or synonym of the compound, formula, CAS number
 Retention index, interval of retention index, application area
 Sensory descriptor: musty, earthy, fruity, etc.
 Product type: beef, butter, milk, etc.
For each sample
Display all compounds
potentially present
Check the presence of a
compound of interest
Search all compounds from
a chemical family
Refine the search by
selecting sensory attributes
Focus the search on a
specific product in the
literature
 Flexible & customizable database for your specific needs
 Modify and enrich the database with your own analysis results
 Extract tailored sub-libraries
 Relevance index ranks possible compounds for easier identification
A unique relevance index based on peak area ratio and difference between measured and theoretical
retention indices provides a prediction rate for each possible compound.
www.alpha-mos.com
Case study
Customer claim: Identification of off-odor cause in condiments
Analytical method: chemical & odor analysis with HERACLES electronic nose and AroChemBase
AlphaSoft
1
AroChemBase
Slight differences on
chromatograms
3
List of possible compounds for one of the
off-odor peaks (in blue)
Good
Bad
Retention index
on MXT-5 = 906
Retention index
MXT-1701 = 975
Superimposed chromatograms of good & bad
condiments batches
Statistical data processing:
2
– Discriminates good & bad batches
– Shows the peaks responsible for
differences
4
Display of chemical & sensory data for each
possible compound
Principal Components Analysis of good and bad
batches of condiments
BAD
GOOD
Peaks responsible
for differences
Chemical & sensory data of a selected compound
A search in the Food application area allowed to identify the off-odor origin.
Among the possible compounds, ethyl pentanoate stands out.
AroChemBase Package Content
 AroChemBase, Chemicals & Aromas data library
 Integrated into AlphaSoft for Alpha MOS instruments (GC e-noses & GC)
 Stand-alone software for third-party GC and GC-MS instruments
 Compatible with Windows XP, Vista, 7, 8
 2014 NIST Retention Index database
Alpha MOS France
20 avenue Didier Daurat
31400 Toulouse – France
Ph: +33 5 62 47 53 80
[email protected]
Alpha MOS America
7502 Connelley Drive, Suite 110
Hanover, MD 21076-1705 – USA
Ph: (410) 553-9736
[email protected]
Alpha MOS China
Room 1102, Guanghua Building
No.870 Maotai Road
Shanghai, 200336 - China
Ph: +86 (0) 21 6072 3809
Alpha MOS Japan
Jowa Takanawa Bld. Minato-ku 8F
1-5-4 Takanawa
Tokyo 108-0074 - Japan
Ph: +81-3-5475-3291
www.alpha-mos.com
Revised Jul.2014
 A library of 82,868 compounds & 387,463 retention indices