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Off-Flavour Compounds in Beer With A System: HSS/GC/MSD HSS/GC/MSD
Off-Flavour Compounds in Beer With A System: HSS/GC/MSD HSS/GC/MSD
Off-Flavour Compounds in Beer With A System: HSS/GC/MSD HSS/GC/MSD
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Scan Analysis of 8 ml Beer + 4g Na2SO4, split 5:1
Abundance CO2 Ethanol Ethylacetate i-Pentanol
6000000 i-Butanol Isoamylacetate
5500000
5000000
4500000
4000000
3500000
1-Propanol
CS2
3000000 Acetaldehyde
2500000
2000000 Acetal
Ethyl-
1500000 hexanoate
1000000
50000
0
Time-->
4.00 6.00 8.00 10.0 12.00 14.00 16.00 18.00
0
To increase the sensitivity for the full scan analysis of the beer sample, about 4g Na2SO4 was added.
Already in the TIC, most of the alcohols and esters are visible.
2
Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Diones in 8 ml Beer + 4g Na2SO4, split 5:1
Extracted Ions 86 and 100
By extracting the ions 86 and 100, Butadione and the 2,3-Pentadione are visible.
The concentration of the Butadione is about 60ppb in this beer.
Ion 100.00 (99.70 to 100.30): BEER-9.D
Butadione
Ion 86.00 (85.70 to 86.30): BEER-9.D
Abundance (Diacetyl)
16000
15000
14000
13000
12000
11000
10000
9000 2,3-Pentadione
8000
7000
6000
5000
4000
3000
2000
1000
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Scan Analysis of 8 ml Beer + 4g Na2SO4, split 5:1
4
Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Sulphur Compounds in 8 ml Beer + 4g Na2SO4, split 5:1
110000
100000
90000
Dimethylsulfide
80000
70000
60000
50000
40000
30000
20000 Methylthioacetate
(Ethanethioicacid S-methylester)
10000
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Scan Analysis of 8 ml Beer + 4g Na2SO4, split 5:1
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
SIM Analysis of 8 ml Beer, split 3:1
Ethylacetate
Abundance i-Pentanol Isoamylacetate
i-Butanol
1200000
CS2
1100000
1000000
1-Propanol
900000
Acetaldehyde
800000
700000
600000
500000
400000
300000
Time--> 6.00 8.00 10.00 12.00 14.00 16.00 18.00 20.00 22.00
7
Off-Flavour Compounds in Beer with a HSS/GC/MSD System
SIM analysis of 8 ml Beer, split 3:1 60m x 0.25mm x 0.5µm INNOWax column
8
Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Diones (SIM) in 8 ml Beer, split 3:1
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Relative Standard Deviation (%) for the Diones and Methylthioacetate, 4 Analyses
RSD 2.7%
Abundance Diacetyl ~60ppb
Ion 100.00 (99.70 to 100.30): BEER-23.D
5000
Ion 86.00 (85.70 to 86.30): BEER-23.D RSD 2.5%
Ion 90.00 (89.70 to 90.30): BEER-23.D
Ion 100.00 (99.70 to 100.30): BEER-22.D 2,4-Pentadione
4500 Ion 86.00 (85.70 to 86.30): BEER-22.D RSD 4.5%
Ion 90.00 (89.70 to 90.30): BEER-22.D
Ion 100.00 (99.70 to 100.30): BEER-20.D Methylthioacetate
Ion 86.00 (85.70 to 86.30): BEER-20.D
4000 Ion 90.00 (89.70 to 90.30): BEER-20.D
Ion 100.00 (99.70 to 100.30): BEER-21.D
Ion 86.00 (85.70 to 86.30): BEER-21.D
Ion 90.00 (89.70 to 90.30): BEER-21.D
3500
3000
RSD 5.0%
2,3-Pentadione
2500
2000
1500
1000
500
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Acetaldehyde 15729825.99 1-Propanol 7719302.981 3-Methylbutanol 13367179.73 2,4-Pentadione 117354.72
Acetaldehyde 15341274.82 1-Propanol 7923033.760 3-Methylbutanol 13893632.59 2,4-Pentadione 123422.40
Acetaldehyde 14721893.88 1-Propanol 7428209.195 3-Methylbutanol 12882220.20 2,4-Pentadione 120364.16
Acetaldehyde 14695810.38 1-Propanol 7478456.869 3-Methylbutanol 13083777.11 2,4-Pentadione 123872.64
Average 15122201.27 7637250.701 13306702.41 121253.48
Stdev. 503075.94 228996.63 438947.75 3030.70
% RSD 3.33 3.00 3.30 2.50
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Diones (SIM) in 8 ml Beer, split 3:1
7500
7000
6500
6000
5500 2,4-Pentadione
5000
4500 2,3-Pentadione
4000
3500
3000
2500
2000
1500
1000
500
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Off-Flavour Compounds in Beer with a HSS/GC/MSD System
Diones and DMS (SIM) in 8 ml Beer, split 3:1 60m INNOWax column
5000
40000
4500
35000
4000
2,3-Pentadione
30000
3500
25000 3000
2500
20000
2000
15000
1500
10000
1000
5000
500
Time--> 3.00 3.3 3.60 3.90 4.20 Time--> 7.80 8.20 8.60 9.00 9.40
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