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. Author manuscript; available in PMC: 2021 Nov 1.
Published in final edited form as: Anal Bioanal Chem. 2020 Sep 2;412(27):7669–7681. doi: 10.1007/s00216-020-02904-1

Table 3.

Important cinnamon metabolites determined by PCA and PLS-DA on different cinnamon species.

No. Variable ID
(Rt_m/z)
PCA loadings aVIP score
(PLS-DA)
Identity (peak No. in Table 2)
PC1 PC2
1 31.93_163.0755 −0.13 0.61 11.35 Methoxycinnamaldehyde (36)
2 28.51_133.0647 0.14 0.26 5.40 Cinnamaldehyde (35)
3 31.93_135.0804 −0.04 0.19 3.60 Methoxycinnamaldehyde fragment (35)
4 15.50_314.1754 −0.12 −0.06 4.30 Alkaloid, C19H23NO3
5 16.95_314.1391 −0.12 −0.06 4.60 2-Cinnamoyl-5-methoxyphenyl acetate (18)
6 18.60_330.1703 −0.19 −0.13 6.32 Alkaloid, C19H23NO4 (28)
7 17.24_865.1982 −0.02 −0.17 3.91 A-type PAC DP-3 (A=1) (20)
8 15.44_1153.2606 0.06 −0.11 3.03 A-type PAC DP-4 (A=1) (11)
9 16.52_865.1979 0.11 −0.20 5.77 A-type PAC DP-3 (A=1) (15)
10 22.95_147.0440 0.74 −0.07 15.01 Coumarin (31)
11 15.32_579.1503 −0.05 0.04 4.77 B-type PAC DP-2 (10)
a

VIP: variable importance in the projection