The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.
Annotation: 29 spectra, 11 molecules, 4 classes: 72.7% Pulvinic Acid Derivatives, 9.1% Quinones, 9.1% Cleavage Products of Depsides and Depsidones, 9.1% Depsides (Tridepsides)
Short Annotation: 29 spectra, 11 molecules, 4 classes: 72.7% Pulvinic Acid Derivatives, 9.1% Quinones, 9.1% Cleavage Products of Depsides and Depsidones, 9.1% Depsides (Tridepsides)
The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.9319007173062887. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.
| Term name | Count in motif | Percentage in motif | Percentage in experiment | Absolute difference |
|---|---|---|---|---|
| Hydrocarbon derivative | 29 | 100 | 100 | 0 |
| Organooxygen compound | 25 | 86.2 | 91.8 | 5.6 |
| Organic nitrogen compound | 14 | 48.3 | 31.7 | 16.5 |
| Organonitrogen compound | 14 | 48.3 | 30.9 | 17.4 |
| Carbonyl group | 12 | 41.4 | 20.5 | 20.9 |
| Organopnictogen compound | 11 | 37.9 | 24.8 | 13.2 |
| Benzenoid | 10 | 34.5 | 27.2 | 7.3 |
| Azacycle | 5 | 17.2 | 14.0 | 3.3 |
| Organoheterocyclic compound | 3 | 10.3 | 14.6 | 4.2 |
| Carboxamide group | 1 | 3.4 | 1.5 | 2.0 |
Two bar plots will appear below this message. The first shows the proportion of the total intensity of these features explained by this Mass2Motif. Red bars show the total intensity (across the whole dataset), blue bars show the proportion explained by the selected Mass2Motif. The second shows the number of times each feature in this Mass2Motif appears in the documents associated with this Mass2Motif.
The following table lists all fragmentation spectra that are explained by this Mass2Motif at the threshold specified in the experiment option.
| Fragmentation spectra | Precursor Mass | Parent mass | Annotation | Probability | Overlap Score |
|---|---|---|---|---|---|
| LDB_366_Rhizocarpic acid | 468.1447 | 469.1520 | None | 1.000 | 0.615 |
| LDB_173_Rhizocarpic acid | 500.1709 | 501.1782 | None | 1.000 | 0.600 |
| LDB_104_Norrhizocarpic acid | 931.2479 | 932.2552 | None | 1.000 | 0.606 |
| LDB_84_Norepanorin | 863.2792 | 864.2864 | None | 1.000 | 0.633 |
| LDB_90_Rhizocarpic acid | 959.2792 | 960.2864 | None | 1.000 | 0.584 |
| LDB_296_Epanorin | 891.3105 | 892.3178 | None | 1.000 | 0.590 |
| LDB_219_Rhizocarpic acid | 468.1447 | 469.1520 | None | 1.000 | 0.582 |
| LDB_55_Norepanorin | 420.1447 | 421.1520 | None | 0.969 | 0.635 |
| LDB_520_Norrhizocarpic acid | 476.1110 | 477.1183 | None | 0.937 | 0.594 |
| LDB_435_Norepanorin | 420.1447 | 421.1520 | None | 0.894 | 0.533 |
| LDB_361_Pulvinic acid | 307.0606 | 308.0679 | None | 0.767 | 0.642 |
| LDB_274_Pulvinic acid | 307.0606 | 308.0679 | None | 0.756 | 0.641 |
| LDB_512_Crustinic acid | 483.0927 | 484.1000 | None | 0.727 | 0.071 |
| LDB_769_Norepanorin | 420.1332 | 421.1405 | None | 0.583 | 0.624 |
| LDB_148_Epanorin | 434.1604 | 435.1677 | None | 0.519 | 0.507 |
| LDB_52_Polyporic acid | 291.0657 | 292.0730 | None | 0.503 | 0.647 |
| LDB_299_Norrhizocarpic acid | 454.1291 | 455.1364 | None | 0.488 | 0.505 |
| LDB_754_Norrhizocarpic acid | 454.1166 | 455.1239 | None | 0.477 | 0.608 |
| LDB_500_Polyporic acid | 291.0657 | 292.0730 | None | 0.462 | 0.647 |
| LDB_807_Polyporic acid | 291.0641 | 292.0714 | None | 0.453 | 0.600 |
| LDB_215_Norepanorin | 442.1267 | 443.1340 | None | 0.423 | 0.631 |
| LDB_459_Orsellinic acid | 357.0586 | 358.0659 | None | 0.394 | 0.053 |
| LDB_172_Norepanorin | 879.2531 | 880.2604 | None | 0.365 | 0.594 |
| LDB_26_Orsellinic acid | 357.0586 | 358.0659 | None | 0.363 | 0.053 |
| LDB_25_Polyporic acid | 605.1212 | 606.1285 | None | 0.245 | 0.584 |
| LDB_419_Norrhizocarpic acid | 454.1291 | 455.1364 | None | 0.138 | 0.386 |
| LDB_263_Leprapinic acid methyl ether | 397.1287 | 398.1360 | None | 0.066 | 0.503 |
| LDB_497_Vulpinic acid | 321.0763 | 322.0836 | None | 0.062 | 0.403 |
| LDB_328_Leprapinic acid | 351.0869 | 352.0942 | None | 0.057 | 0.423 |
The fragmentation spectra of molecules explained by this Mass2Motif are plotted below. Features (fragments and losses) explained by this Mass2Motif will be coloured red, while parent ion is coloured in blue. Click Next and Previous to cycle through the fragmentation spectra.