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Classification of Beer Types #2 –

Metabolomics

Nowadays, “forecast of taste” or “visualization of food Analysis by Shimadzu GCMS-TQ8040 and Smart Metabolites Analysis by Shimadzu LCMS-8060 and Method Package for Traverse MS software (Reifycs Inc.) . From the result of the
additional values” have been gaining the momentum in food Database Primary Metabolites hierarchical clustering analysis, five beers can be classified by
industry, that is conducted by using analysis equipment in many Targeting 475 components by GC-MS/MS, we can detect about Targeting 97 components by LC-MS/MS such as amino acids, differences of components contained in each beer , and also the
cases. 300 components in each five beers. By the principal component organic acids, nucleic acid associated materials, and so on, we similarity among each beer can be confirmed by differences of
This time, five beers (lager beer, lager beer containing rice, ale analysis (PCA) from the results, the differences among beers can can detect 58 components in each five beers. The hierarchical contained amount.
beer, low-malt beer, and non-alcoholic beer) were analyzed for be examined in the score plot. Besides, we can confirm from the clustering analysis was done for those 58 components by
classification. Shimadzu GCMS-TQ8040 and LCMS-8060 were loading plot that some sugars and so on are the strong relation
used for the analysis of hydrophilic metabolites in the beers to the differences in the score plot. Lager Low-malt Non-
that could strongly affect taste. Lager beer Lager Ale (contains rice) beer alcoholic
OA_TMS_BPX5_23min_V3_MRM_20151124.M1 (PCA-X)
Colored according to model terms
Lactose-meto-8TMS(1)
(×10,000,000) 0.5
1.75 Lactosemeto-8TMS(2)
0.4
1.50 0.3
Mannose-meto-5TMS(1)
0.2
1.25
p[2] 0.1 Low-malt beer
1.00 5-Oxoproline-2TMS
0
0.75 -0.1
-0.2
0.50
-0.3
Isomaltose-meto-8TMS(1)
0.25
-0.4
-0.3 -0.2 -0.1 0 0.1 0.2 0.3
p[1]
7.5 10.0 12.5 15.0 17.5 20.0 R2×[1] = 0.432 R2×[2] =0.31 Non-alcoholic beer
MRM Chromatogram Loading plot

Classification of beer type by hierarchical clustering analysis (HCA)
15000 MRM chromatograms

10,000 Ale beer

5,000 Non-alcoholic Selection of the appropriate instrument for quantitative metabolomics
beer Low-malt beer
t[2] 0
Lager beer
-5,000
Lager beer
containing rice
-10,000
GC-MS/MS and LC-MS/MS were used for the analysis of
-15,000 hydrophilic metabolites in the beers. GC-MS(/MS) and
LC-MS/MS are widely used for measuring the total amount of
-20,000
-20,000 -15,000 -10,000 -5,000 0 5,000 10,000 15,000 metabolites in a sample. Selection of the appropriate
t[1] instrument to be used is based on the target compounds and
R2X[1] = 0.432 R2X[2] = 0.31
the objective.
Score plot

*12th Annual Conference of the Metabolomics Society Poster #221:” Mass spectrometry-based metabolomics to differentiate beer types”
Score plot :Classification of beer type by multivariate analysis conducted by principal component analysis (PCA) from the result of GC-MS *ASMS 2016 Poster ThP 445: “Metabolomic profiling of beer types by widely-targeted LC/MS measurement”

Shimadzu’s Total Support for Beer Analysis
22 Analytical and Testing Instruments for Beer 23