Peak no. | Compound name | Molecular formula | Degree in network | Correlating targets | Rt (min) | Adduct | Calculated molecular ions | Measured molecular ions (m/z) | Error (ppm) | Origin |
---|---|---|---|---|---|---|---|---|---|---|
1 | Daidzein | C15H10O4 | 5 | TNF IL6 IL4 IL2 CXCL8 | 14.930 | (M+H)+ | 255.0651 | 255.0635 | − 1.9 | Pueraria Root |
2 | Luteolin | C15H10O6 | 4 | TNF IL6 IL4 CXCL8 | 16.037 | (M+H)+ | 287.0550 | 287.0532 | − 6.2 | Perilla Leaf Schizonepeta Spike |
3 | Quercetin | C15H10O7 | 7 | TNF TLR4 IL6 IL4 IL2 CXCL8 CCL5 | 16.8 | (M+H)+ | 303.0499 | 303.0494 | − 1.6 | Perilla Leaf Atractylodes Rhizome Cnidium Rhizome Aurantii Fructus |
4 | Apigenin | C15H10O5 | 4 | TNF IL6 IL4 CXCL8 | 18.376 | (M+H)+ | 271.0601 | 271.0588 | − 4.7 | Perilla Leaf Pueraria Root Citrus Unshiu Peel Cnidium Rhizome Aurantii Fructus |
5 | Kaempferol | C15H10O6 | 5 | TNF IL6 IL4 CXCL8 CCL5 | 19.09 | (M+H)+ | 287.0550 | 287.0535 | 5.2 | Aurantii Fructus |
6 | Caffeic acid | C9H8O4 | 6 | TNF TLR4 IL6 IL4 IL2 CXCL8 | n.d | (M+H)+ | 181.0495 | – | – | Perilla Leaf Citrus Unshiu Peel Cnidium Rhizome Platycodon Root |
7 | Genistein | C15H10O5 | 6 | TNF TLR4 IL6 IL4 IL2 CXCL8 | n.d | (M+H)+ | 271.0601 | – | – | Pueraria Root |