AL
Table 2 – Standard cinnamon compounds with corresponding base peak and lowest concentration detected at 350 °C, positive ion mode, by DART-MS
Compound Coumarin
Cinnamaldehyde, natural trans-Cinnamaldehyde trans-Cinnamic acid
Formula
C9 C9 C9 C9
trans-Cinnamic acid, natural C9 Eugenol
H6 H8 H8 H8 H8
C10
O2 O O
O2 O2
H12 O2
Exact mass Base ion detected
Ion exact mass
Lowest dilution detected
146.0368 [M+H]+ 147.0446 100 µg/L 132.0575 [M+H]+ 133.0653 100 µg/L 132.0575 [M+H]+ 133.0653 100 µg/L 148.0524 [M+H]+ 149.0603 10 mg/L 148.0524 [M+H]+ 149.0603 10 mg/L 164.0837 [M+H]+ 165.0916 10 mg/L
Other cinnamon-related compound masses identified in standard Coumarone
Benzaldehyde, cinnamyl alcohol, C9
C9
H6 H6
O, coumarin, cinnamic acid O, cinnamaldehyde,
coumarin Cinnamaldehyde
Table 3 – Cinnamon peak summary, sorted by increasing exact mass detected at 350 °C, positive ion mode, by DART-MS Formula Ion
Exact mass of ion
dectected
H6 H6
H6 O M+ O M+
Coumarone, benzofuran
detected
Compound assignment
107.0497 C7 O [M+H]+ Benzaldehyde √a 118.0419 C8
130.0419 C9
1-Phenyl-2- propyn-1-one or 3-phenyl-3- propynal
131.0497 C9H6
O [M+H]+ 1-Phenyl-2- propyn-1-one or 3-phenyl-3- propynal
132.0575 C9 O M+ 133.0653 C9 134.0732 C9 146.0368 C9 147.0446 C9 148.0524 C9 148.0888 C10 149.0603 C9 150.0919 C9 152.1201 C10 153.1279 C10 154.1358 C10 155.1436 C10 160.0888 C11 162.0681 C10 163.0759 C10
H8 H8
H10 H6 H6 H8
H8 H8
O2 O2 O2
H12 O2
H16 H16 H18 H18 H12 H10 H10
O M+
O [M+NH4 O M+
M+ nd nd Detected in ground samples nd nd nd nd nd
nd nd
nd
nd nd
nd
Detected in solid samples
Ceylonese Chinese Indonesian Vietnamese Ceylonese Chinese Indonesian Vietnamese ndb
nd nd nd nd
nd nd
nd nd
nd
√
√
√
√
√
√
√
√
Cinnamaldehyde √
O [M+H]+ Cinnamaldehyde √ O M+ M+
[M+H]+ Coumarin M+
Cinnamyl alcohol √ Coumarin
√ √ √
nd √
Cinnamic acid nd Estragole
nd
[M+H]+ Cinnamic acid √ ]+ Cinnamaldehyde √ Camphor
O [M+H]+ Camphor O M+
Linalool
O [M+H]+ Linalool O M+ O2 O2
[M+H]+ Safrole
√ √ √
nd nd √ √
√ √
nd nd √ √
√ √
nd √
nd nd
Ethyl cinnamate nd Safrole
nd √
nd nd nd nd nd nd nd nd nd nd nd nd √
√
√ √ √ √ √ √
nd √ √
nd nd nd nd nd nd √
√ √ √
nd nd nd nd √ √
nd √
nd √
nd nd √
nd nd √ √
√ √
nd nd √ √
√ nd
nd nd √ √
√ √
nd nd nd √ nd nd √
√
nd nd nd nd √
nd
√ √ √
nd √ √
nd √ √
nd nd nd nd √
nd √
continued AMERICAN LABORATORY 37 APRIL 2016
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