No. | Compound name | Formula | Expected mass m/z | observed | DeltaMass [ppm] | RT(min) | Adducts |
---|---|---|---|---|---|---|---|
1 | Dulcitol | C6H14O6 | 182.0790 | 182.0781 | 1.2 | 1.34 | - |
2 | L-(-)-Malic acid | C4H6O5 | 134.0202 | 134.0203 | 0 | 1.84 | - |
3 | 4-Oxoproline | C5H7NO3 | 129.0413 | 129.0426 | -0.8 | 2.78 | - |
4 | 2,3-Dihydroxybenzoic acid | C7H6O4 | 154.0266 | 154.0256 | 0.8 | 7.24 | - |
5 | DL-4-Hydroxyphenyllactic acid | C9H10O4 | 182.0579 | 182.0572 | 4.2 | 8.74 | - |
6 | 2,3,4,9-Tetrahydro-1 H-β-carboline-3- carboxylic acid | C12H12N2O2 | 216.0899 | 216.0899 | -0.1 | 8.76 | + |
7 | Ferulic acid | C10H10O4 | 194.0580 | 194.0572 | 3.8 | 9.89 | - |
8 | Coptisine | C19H14NO4 | 320.1260 | 320.1261 | -0.4 | 10.59 | + |
9 | Berberine | C20H17NO4 | 335.1158 | 335.1152 | 1.8 | 11.24 | +, - |
10 | Epiberberine | C20H18ClNO4 | 372.1474 | 372.1436 | -1.1 | 11.41 | + |
11 | Magnograndiolide | C15H22O4 | 266.1552 | 266.1521 | 0.3 | 12.70 | - |
12 | ML-236 C | C18H26O3 | 290.0790 | 290.0793 | -0.8 | 13.87 | - |
13 | Rubropunctatin | C21H22O5 | 354.2043 | 354.20433 | -0.3 | 14.23 | - |
14 | Monascorubrin | C16H33NO | 255.2562 | 255.2562 | 0.1 | 14.34 | - |
15 | Ethyl caffeate | C11H12O4 | 208.0732 | 208.0730 | -0.9 | 15.08 | - |
16 | Fagarine | C13H11NO3 | 230.1518 | 230.1515 | 1.2 | 16.51 | - |
17 | Dihydromonacolin K | C24H38O5 | 406.1475 | 406.1476 | -0.3 | 17.41 | + |
18 | ML-236B | C23H34O5 | 390.2056 | 390.2016 | 0.8 | 18.52 | - |
19 | Palmatine | C21H22NO4 | 352.0841 | 352.0795 | 3.2 | 19.09 | - |
20 | Lovastatin | C24H36O5 | 404.2534 | 404.2563 | 0.3 | 19.24 | - |
21 | Quercetin | C15H10O7 | 302.1882 | 302.1877 | 1.7 | 19.26 | + |
22 | α-Linolenic acid | C18 H30 O2 | 278.2246 | 278.2245 | 0.3 | 19.93 | + |
23 | Magnograndiolide | C15H22O4 | 266.1552 | 266.1551 | 0.3 | 20.15 | - |
24 | Monacolin Q | C19H22O2 | 282.2559 | 282.2557 | 0.8 | 21.37 | - |
25 | Cannabichromene | C21H30O2 | 314.2246 | 314.2245 | 0 | 21.93 | + |
26 | Oleic acid | C18H34O2 | 282.2559 | 282.2557 | 0.8 | 21.95 | - |
27 | N1-(3-Piperidinopropyl)-2-[(4-nitrobenzoyl)amino]benzamide | C22H26N4O4 | 410.1954 | 410.1980 | -6.2 | 22.31 | - |
28 | Trans-Petroselinic acid | C18H34O2 | 282.2559 | 282.2557 | 0.8 | 23.06 | - |
29 | Stearic acid | C18H36O2 | 284.2715 | 274.2717 | -0.7 | 24.48 | + |