Table 3.
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) |
VIP: variable importance in the projection