The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.
Annotation: 28 spectra, 17 molecules, 7 classes: 29.4% Cleavage Products of Depsides and Depsidones, 23.5% Depsidones, 11.8% Quinones, 11.8% Dibenzofuranes, 11.8% Paraconic acids, 5.9% Pulvinic Acid Derivatives, 5.9% Xanthones and bis-Xanthones
Short Annotation: 28 spectra, 17 molecules, 7 classes: 29.4% Cleavage Products of Depsides and Depsidones, 23.5% Depsidones, 11.8% Quinones, 11.8% Dibenzofuranes, 11.8% Paraconic acids, 5.9% Pulvinic Acid Derivatives, 5.9% Xanthones and bis-Xanthones
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 0.9296243338731728. 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.
| Feature | Probability | MAGMA Substructure Annotation |
|---|---|---|
| loss_59.0150 | 0.710 |
|
| fragment_278.2750 | 0.052 |
|
| loss_86.9550 | 0.029 |
|
| loss_87.9250 | 0.016 |
|
| fragment_277.3150 | 0.016 |
|
| fragment_589.1850 | 0.013 |
|
| loss_87.7250 | 0.010 |
|
| fragment_277.5050 | 0.010 |
|
| fragment_432.1150 | 0.009 |
|
| fragment_753.4550 | 0.006 |
|
| fragment_169.1650 | 0.006 |
|
| fragment_319.0350 | 0.005 |
|
| fragment_458.0950 | 0.005 |
|
| loss_196.0750 | 0.005 |
|
| fragment_344.0250 | 0.004 |
|
| fragment_545.2050 | 0.003 |
|
| fragment_207.2150 | 0.003 |
|
| fragment_731.4750 | 0.003 |
|
| fragment_754.4650 | 0.002 |
|
| loss_158.0150 | 0.002 |
|
| fragment_339.0050 | 0.002 |
|
| fragment_571.1750 | 0.002 |
|
| fragment_420.1450 | 0.002 |
|
| fragment_558.8750 | 0.002 |
|
| fragment_198.4550 | 0.002 |
|
| fragment_444.9750 | 0.002 |
|
| fragment_79.4150 | 0.002 |
|
| fragment_415.0850 | 0.002 |
|
| fragment_492.4050 | 0.002 |
|
| fragment_565.0950 | 0.002 |
|
| fragment_64.7950 | 0.002 |
|
| fragment_96.5450 | 0.001 |
|
| fragment_465.1650 | 0.001 |
|
| Term name | Count in motif | Percentage in motif | Percentage in experiment | Absolute difference |
|---|---|---|---|---|
| Hydrocarbon derivative | 28 | 100 | 100 | 0 |
| Organooxygen compound | 28 | 100 | 91.8 | 8.2 |
| Organic nitrogen compound | 15 | 53.6 | 31.7 | 21.8 |
| Organonitrogen compound | 14 | 50 | 30.9 | 19.1 |
| Organopnictogen compound | 10 | 35.7 | 24.8 | 11.0 |
| Benzenoid | 9 | 32.1 | 27.2 | 4.9 |
| Azacycle | 6 | 21.4 | 14.0 | 7.5 |
| Carbonyl group | 4 | 14.3 | 20.5 | 6.2 |
| Alcohol | 4 | 14.3 | 12.0 | 2.3 |
| Aromatic heteropolycyclic compound | 3 | 10.7 | 15.4 | 4.7 |
| Organoheterocyclic compound | 3 | 10.7 | 14.6 | 3.9 |
| Carboxamide group | 2 | 7.1 | 1.5 | 5.7 |
| Heteroaromatic compound | 2 | 7.1 | 5.3 | 1.9 |
| Aromatic homomonocyclic compound | 1 | 3.6 | 0.1 | 3.4 |
| Oxacycle | 1 | 3.6 | 13.8 | 10.3 |
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_172_Norepanorin | 879.2531 | 880.2604 | None | 0.614 | 0.058 |
| LDB_589_allo-Pertusaric acid | 365.2328 | 366.2401 | None | 0.520 | 0.158 |
| LDB_161_Didymic acid | 369.1702 | 370.1775 | None | 0.412 | 0.710 |
| LDB_348_Rhizonic acid | 195.0657 | 196.0730 | None | 0.311 | 0.710 |
| LDB_311_Isoevernic acid | 181.0501 | 182.0574 | None | 0.249 | 0.710 |
| LDB_153_Parietinic acid | 313.0348 | 314.0421 | None | 0.242 | 0.710 |
| LDB_327_5-Chlorodivaricatinic acid | 243.0424 | 244.0497 | None | 0.217 | 0.634 |
| LDB_329_Dechlorodiploicin | 386.9594 | 387.9667 | None | 0.192 | 0.710 |
| LDB_580_Rhizonic acid | 195.0657 | 196.0730 | None | 0.191 | 0.710 |
| LDB_793_Isoevernic acid | 181.0491 | 182.0564 | None | 0.189 | 0.710 |
| LDB_740_Rhizonic acid | 195.0689 | 196.0762 | None | 0.178 | 0.710 |
| LDB_355_Pertusaric acid | 365.2328 | 366.2401 | None | 0.176 | 0.071 |
| LDB_553_Parietinic acid | 313.0348 | 314.0421 | None | 0.158 | 0.710 |
| LDB_636_Schizopeltic acid | 357.0953 | 358.1026 | None | 0.151 | 0.710 |
| LDB_610_Didymic acid | 369.1672 | 370.1745 | None | 0.135 | 0.710 |
| LDB_302_4-O-methylolivetolcarboxylic acid | 237.1127 | 238.1200 | None | 0.118 | 0.710 |
| LDB_565_5-Chlorodivaricatinic acid | 243.0424 | 244.0497 | None | 0.113 | 0.556 |
| LDB_462_Schizopeltic acid | 357.0974 | 358.1047 | None | 0.102 | 0.710 |
| LDB_483_Argopsin | 395.0089 | 396.0162 | None | 0.092 | 0.710 |
| LDB_478_Physodalic acid | 415.0665 | 416.0738 | None | 0.084 | 0.694 |
| LDB_689_Divaricatinic acid | 209.0816 | 210.0889 | None | 0.083 | 0.710 |
| LDB_426_Methoxyhaemoventosine | 333.0610 | 334.0683 | None | 0.081 | 0.710 |
| LDB_786_Secalonic acid F | 637.1606 | 638.1679 | None | 0.075 | 0.710 |
| LDB_32_Gangaleoidin | 411.0038 | 412.0111 | None | 0.069 | 0.564 |
| LDB_36_Argopsin | 395.0089 | 396.0162 | None | 0.066 | 0.710 |
| LDB_256_Schizopeltic acid | 357.0974 | 358.1047 | None | 0.064 | 0.710 |
| LDB_480_Didymic acid | 369.1702 | 370.1775 | None | 0.057 | 0.710 |
| LDB_626_Physodalic acid | 415.0567 | 416.0639 | None | 0.054 | 0.710 |
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.