No. | Observed m/z; RT (min) | Calculated m/z | Δ mass (ppm) | Molecular formula | Name | Classification | Identification method |
---|---|---|---|---|---|---|---|
N1 | 168.4252/12.01 | 168.4253 | 1.1023 | C8H8O4 | Orsellinic acid | Sesquiterpene | Level 2, 4 |
N2 | 266.1393/30.79 | 266.1418 | 1.0122 | C15H22O4 | Sydonic acid | Sesquiterpene | Level 2, 4 |
N3 | 282.1412/13.2 | 282.1417 | 1.5212 | C15H22O5 | (7S)-(-)-10-Hydroxysydonic acid | Sesquiterpene | Level 2, 4 |
N4 | 282.4545/14.01 | 282.4548 | 0.7386 | C15H22O5 | (R)-(−)-Hydroxysydonic acid | Sesquiterpene | Level 2, 4 |
N5 | 337.3712/25.88 | 337.3713 | 0.1517 | C18H27NO5 | Neostemodiol | Alkaloid | Level 2, 3 |
N6 | 351.1683/12.73 | 351.1682 | 0.3528 | C18H25NO6 | Hydroxy serine sydonate | Sesquiterpene | Level 3 |
N7 | 353.1858/20.82 | 353.1855 | 1.7889 | C18H27NO6 | Serine sydonate | Sesquiterpene | Level 4 |
N8 | 367.4195/22.65 | 367.4193 | 0.1416 | C19H29NO6 | Piperidinyl acetic acid ethyl ester | Ester | Level 1 |
N9 | 369.1772/31.44 | 39.1764 | 3.0703 | C18H27NO7 | 3′-Alkene serine sydonate | Sesquiterpene | Level 3 |
N10 | 381.1745/31.44 | 381.1747 | 2.1038 | C19H27NO7 | Bruceolline | Alkaloid | Level 2, 3 |
N11 | 395.1978/22.26 | 395.1974 | 0.2357 | C20H29NO7 | Ruwenine | Macrolide | Level 1 |
N12 | 398.0976/11.57 | 398.0978 | 0.1637 | C21H18O8 | Auramycinone | Antibiotic | Level 2 |
N13 | 402.1678/19.82 | 402.1679 | 0.2387 | C24H34O5 | Macrolactin A | Macrolide | Level 2, 4 |
N14 | 424.1189/20.42 | 424.1191 | 1.7654 | C23H20O8 | Dehydrovillosin | Polyketide | Level 1 |
N15 | 424.1373/11.86 | 42.1379 | 1.0165 | C20H24O10 | Rutarin | Glucoside | Level 2 |
N16 | 426.0929/14.44 | 426.0933 | 2.3088 | C22H18O9 | Maggiemycin | Polyketide | Level 2 |
N17 | 436.1373/14.3 | 436.1377 | 0.9653 | C21H24O10 | Phlorizin | Antioxidant | Level 1 |
N18 | 444.1993/20.07 | 444.1996 | 0.8754 | C21H32O10 | Penstemide | Ester | Level 2 |
N19 | 452.1235/14.43 | 452.1236 | 0.4373 | C21H24O11 | Glucuronide | Ester | Level 1 |
N20 | 480.3264/39.51 | 480.3265 | 0.8647 | C31H44O4 | Macrolactin U′ | Macrolide | Level 4 |
N21 | 502.2553/28.94 | 502.2559 | 1.3436 | C28H38O8 | Cavipetin | Ester | Level 2 |
N22 | 514.2476/18.41 | 514.2473 | 2.0741 | C31H34N2O5 | Telmisartan | Aromatic | Level 2 |
N23 | 558.2675/15.84 | 558.2679 | 1.4823 | C27H42O12 | Valeriotriate B | Ester | Level 2 |
N24 | 601.3283/38.12 | 601.3285 | 1.0284 | C34H43N5O5 | Methylurea | Ester | Level 2 |
N25 | 706.3683/20.78 | 706.3689 | 1.7847 | C42H50N4O6 | Tetrastachynine | Peptide | Level 2 |