Page 23 - Shimadzu-MassSpectrometerCatalog

GCMS

Analysis of Amino, Organic, and Fatty Acids Using GC/MS Metabolite Component Database
GC-MS systems are often used in metabolomic and biochemical diagnostic research fields to measure amino acids, organic acids, or
fatty acids in urine or blood. Shimadzu worked jointly with the Shimane University Faculty of Medicine to develop a GC/MS Metabolite
Component Database, containing information on over 300 types of metabolites and other substances (amino acids, organic acids, and Software - LCMS -
fatty acids). The figures below show results from using this database to analyze fats and fatty acids in human blood serum and show
results from simultaneous analysis of organic acid, amino acid, saccharide, and other metabolites in canine cerebral fluid, conducted
jointly with Osaka Prefecture University Graduate School of Life and Environmental Sciences associate professor Shigeo Takenaka.

(x1,000,000)
TIC 13 17 19 21 34 (x10,000,000) 21 31
TIC 4 14 3 18 4 18 5 18 6 18 7 18 8
5.0 4.0
40 47
4.5
12 3.5
4.0
3.0 18 3
3.5 16 39
3.0 2.5 Software - GCMS -
2.5 2.0 45 94 0 1 18 18
22 31
2.0 5 8 14 29 30 1 12
9 36 37 1.5 14 7
1.5 8 29
23 26 33 38 1.0 26 44
1.0 20 16 4
15 28 7 18 2
0.5 6 10 11 18 24 25 27 32 35 0.5 17 9 50 56 68 60 63 86 87 10 9 11 4 8 12 2 11 13 5 17 5
58 59
1 2 3 4 7 20 15 38 40 70 76 80 11 6 13 8
15.0 20.0 25.0 30.0 35.0 40.0 45.0 10.0 15.0 20.0 25.0 30.0 35.0 40.0 45.0
Total Ion Current Chromatogram (TIC) of Methyl Fatty Acids Total Ion Current Chromatogram (TIC) of TMSs in Canine Cerebral Fluid
in Blood Serum
Component numbers correspond to serial numbers in the GC/MS Metabolite Component Database.
AXIMA Software - AXIMA -
Identification of Glycan Structures Using the Accurate Glycan Analyzer and AXIMA Resonance
Since many proteins are modified by glycans, the glycans to which they are bonded can have a significant influence on protein function.
n
The structure of multiple branched molecules, such as glycans, cannot be determined from simple mass spectra, but using MS analysis
allows identifying different structures of even glycans with identical masses. In this case, by following software instructions up to MS 3
analysis, the system was able to distinguish between the structures of two types of pyridylamino derivatives of N-glycans with identical
masses (m/z 1725) that differed only in the position of glucose bonds on non-reducing terminals.

%Int. MS/MS 1707.62
Fraction 2) 100 1280.45
%Int. 1725.63 System
100
915.30 1570.91
1342.49
80 712.22 1077.32
1725.71
0
60 300 500 700 900 m/z 1100 1300 1500 1700
40 %Int. MS 3 915.31
100
20
0 712.19 1077.36
1690 1700 1710 1720 1730 1740 1750 1760 1770 1780
388.10 509.12 1280.45
m/z 0 300 500 700 m/z 900 1100 1300
%Int. MS/MS
1707.62
100
Fraction 4) 1280.42
%Int. 1725.63
100
915.29
80 712.20 1077.33
1725.64
0
200 400 600 800 1000 1200 1400 1600
60
m/z
40 %Int. Application
100 MS 3 915.30
20 712.21
1077.34
0
1690 1700 1710 1720 1730 1740 1750 1760 1770 1780 388.08 550.14 128042
m/z 0
200 400 600 800 1000 1200
m/z
3
3
Mass Spectra MS/MS and MS Spectra Search Results Based on MS Spectra
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