Table 1.
ID | Rt (min) | Exptl. [M–H]− | Fragment Ions | Formula | Mass Error (mmμ) | Tentative Identification | Reference |
---|---|---|---|---|---|---|---|
1 | 1.68 | 133.0135 | 71.0131 | C4H6O5 | −0.75 | Malic acid | [6] |
2 | 4.95 | 161.0448 | 323.097 ([2M–H]−) 143.0343 ([M–H2O]−) |
C6H10O5 | −0.75 | 2-Hydroxyadipic acid | [7] |
3 | 18.44 | 137.0237 | 93.0337 ([M–H–CO2]−) | C7H6O3 | −0.72 | Salicylic acid | [8,9] |
4 | 18.81 | 579.1708 | 271.0595 ([narigenin–H]−) | C27H32O14 | −1.13 | Naringin | [10,11] |
5 | 19.46 | 245.0919 | 491.1914 ([2M–H]−) | C13H14N2O3 | −1.27 | N-Acetyl-tryptophan | [12,13,14] |
6 | 19.48 | 625.1381 | 300.0259 ([quercetin–H]−•) 301.0337 ([quercetin–H]−) |
C27H30O17 | −2.92 | Quercetin-di-O-hexoside | [15,16] |
7 | 20.14 | 609.1426 | 284.0310 ([kaempferol–H]−•) 285.0389 ([kaempferol–H]−) |
C27H30O16 | −3.51 | Kaempferol-di-O-hexoside | [16] |
8 | 21.17 | 187.0991 | 375.1929 ([2M–H]−) | C9H16O4 | 1.52 | Azelaic acid | [17,18] |
Rt, retention time; Exptl. [M–H]−, experimental m/z of molecular ion.