Table 2.
RT (min) | Experimental m/z [M−H]− or [M+HCOO]− |
Theoretical Mass | Mass Error (ppm) |
Molecular Formula |
Tentatively Identified Compound | Metabolite Class |
---|---|---|---|---|---|---|
3.96 | 353.0873 | 354.09508 | −1.5 | C16H18O9 | Neochlorogenic acid | Caffeoylquinic acid |
5.02 | 625.1402 | 626.1483 | −1.3 | C27H30O17 | 6-Hydroxyluteolin 7-O-laminaribioside | Flavonoid |
5.84 | 579.1371 | 580.14282 | 2.7 | C26H28O15 | (1S)-1,4-Anhydro-1-[8-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-arabinitol | Flavonoid |
6.50 | 625.1413 | 626.1483 | 0.5 | C27H30O17 | Quercetin 3-O-gentiobioside | Flavonoid |
6.78 | 349.1505 | 350.15768 | 0.3 | C15H26O9 | Eucommioside II | Terpenoid |
6.84 | 595.1307 | 596.13773 | 0.4 | C26H28O16 | Peltatoside | Flavonoid |
7.37 | 609.1462 | 610.15338 | 0.2 | C27H30O16 | Quercetin 3-O-neohesperidoside | Flavonoid |
7.41 | 577.1565 | 578.16356 | 0.4 | C27H30O14 | Kaempferitrin | Flavonoid |
7.58 | 463.0881 | 464.09548 | −0.2 | C21H20O12 | Hyperoside | Flavonoid |
8.54 | 447.0936 | 448.10056 | 0.8 | C21H20O11 | Astragalin | Flavonoid |
9.27 | 489.1044 | 490.11113 | 1.2 | C23H22O12 | 1,3,6-Trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6′-O-acetyl)-beta-D-glucopyranoside | Quinone |