| No. |
Biomarkers |
Identification |
RT (min) |
Molecular
formula |
Expected neutral mass (Da) |
Observed neutral mass (Da) |
QTOF/MS
(ESI-) m/z |
Mass accuracy (ppm) |
Adducts |
| 1 |
CW unique marker 1 |
Wilfoside C 1GG |
5.43 |
C68H110O29 |
1390.7133 |
1390.7132 |
1435.7114 |
-0.06 |
+HCOO |
| 2 |
CW unique marker 2 |
Unknown |
6.23 |
C76H124O30 |
1516.8177 |
1516.8189 |
1561.8158 |
0.79 |
+HCOO |
| 3 |
CW unique marker 3 |
Unknown |
6.17 |
C71H108O25 |
1360.718 |
1360.7202 |
1405.7179 |
1.62 |
+HCOO |
| 4 |
CW unique marker 4 |
Unknown |
5.89 |
C69H112O27 |
1372.7391 |
1372.7417 |
1417.732 |
1.87 |
+HCOO |
| 5 |
CW unique marker 5 |
Unknown |
6.31 |
C77H118O28 |
1490.781 |
1490.7831 |
1535.7826 |
1.45 |
+HCOO |
| 6 |
CW unique marker 6 |
Unknown |
6.905 |
C78H120O28 |
1504.7966 |
1504.7958 |
1549.7952 |
-0.55 |
+HCOO |
| 7 |
CW unique marker 7 |
Unknown |
7.44 |
C70H114O25 |
1354.7649 |
1354.7643 |
1399.7622 |
1.25 |
+HCOO |
| 8 |
CA unique marker 1 |
Unknown |
6.26 |
C72H110O25 |
1374.7336 |
1374.7334 |
1419.7315 |
1.06 |
+HCOO |
| 9 |
CA unique marker 2 |
Unknown |
3.19 |
C49H80O18 |
956.5345 |
956.5343 |
1001.5321 |
-0.13 |
+HCOO |
| 10 |
CA unique marker 3 |
Cynauricoside E |
4.99 |
C58H92O23 |
1156.6029 |
1156.6019 |
1201.6001 |
-0.83 |
+HCOO |
| 11 |
CA unique marker 4 |
Unknown |
4.58 |
C51H82O19 |
998.545 |
998.5433 |
1043.5408 |
-0.86 |
+HCOO |
| 12 |
*BS marker 1 |
Unknown |
6.71 |
C70H114O25 |
1354.7649 |
1354.7675 |
1399.7622 |
1.25 |
+HCOO |
| 13 |
BS marker 2 |
Wilfoside K1N |
5.78 |
C58H86O19 |
1086.5763 |
1086.5751 |
1131.5733 |
-1.06 |
+HCOO |
| 14 |
BS marker 3 |
Wilfoside C1N |
6.13 |
C56H90O19 |
1066.6076 |
1066.6073 |
1111.6055 |
-0.34 |
+HCOO |
|
