Peaks | Expected compounds | tR (mins) | Observed m/z | Calculated m/z | Error m/z | Molecular formular [M-H]− | MS/MS fragments (m/z) | UV (λmax, nm) | Compd. No. |
---|---|---|---|---|---|---|---|---|---|
a | Chlorogenic acid (3-caffeoylquinic acid) | 14.471 | 353.0866 | 353.0878 | 0.0012 | C16H17O9 | 191[M-C9H6O8-H]− | 330 | |
b | Unidentified | 15.220 | 137.0232 | 137.0244 | 0.0012 | C7H5O3 | 108[M-29-H]− | ||
c | Rutin | 16.032 | 609.1452 | 609.1461 | 0.0009 | C27H29O16 | 300[M-C12H20O9-H]− | 265 | 5 |
d | Quercetin-3-O-β-d-galactopyranoside | 16.532 | 463.0882 | 463.0882 | 0 | C21H19O12 | 300[M-C6H11O5-H]− | 265 | 1 |
e | 3,4-Dicaffeoylquinic acid | 17.157 | 515.1190 | 515.1195 | 0.0005 | C25H23O12 | 353[M-C6H11O5-H]− | 330 | 6 |
f | 3,5-Dicaffeoylquinic acid | 17.781 | 515.1196 | 515.1195 | 0.0001 | C25H23O12 | 353[M-C9H6O3-H]− | 245, 330 | 2 |
g | Unidentified | 18.469 | 203.0918 | 203.0925 | 0.0007 | C9H15O5 | 143[M-60-H]− | ||
h | 3,5-Dicaffeoylquinic acid methyl ester | 19.093 | 529.1354 | 529.1351 | 0.0003 | C26H25O12 | 367[M-C6H11O5-H]− | 330 | 3 |
i | Unidentified | 19.593 | 193.0498 | 193.0506 | 0.0008 | C10H9O4 | 133[M-60-H]− | ||
j | Unidentified | 20.093 | 217.1077 | 217.1081 | 0.0004 | C10H17O5 | 157[M-60-H]− |