The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.
Annotation: None
Short Annotation: None
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 0.9420316327573461. 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 | 32 | 100 | 100 | 0 |
| Organooxygen compound | 29 | 90.6 | 95.3 | 4.7 |
| Organonitrogen compound | 18 | 56.3 | 54.1 | 2.1 |
| Carbonyl group | 17 | 53.1 | 44.0 | 9.1 |
| Organic nitrogen compound | 17 | 53.1 | 55.6 | 2.5 |
| Organopnictogen compound | 14 | 43.8 | 45.2 | 1.5 |
| Organoheterocyclic compound | 12 | 37.5 | 13.3 | 24.2 |
| Azacycle | 12 | 37.5 | 22.6 | 14.9 |
| Alcohol | 7 | 21.9 | 14.7 | 7.2 |
| Oxacycle | 6 | 18.8 | 7.9 | 10.8 |
| Secondary alcohol | 5 | 15.6 | 7.7 | 7.9 |
| Benzenoid | 5 | 15.6 | 18.3 | 2.7 |
| Aromatic heteropolycyclic compound | 5 | 15.6 | 9.6 | 6.0 |
| Heteroaromatic compound | 4 | 12.5 | 5.8 | 6.7 |
| Polyol | 2 | 6.3 | 1.6 | 4.7 |
| Amine | 2 | 6.3 | 4.4 | 1.9 |
| Carboxylic acid ester | 1 | 3.1 | 1.8 | 1.3 |
| Primary alcohol | 1 | 3.1 | 0.9 | 2.3 |
| Oxane | 1 | 3.1 | 1.9 | 1.2 |
| Aliphatic heteropolycyclic compound | 1 | 3.1 | 0.1 | 3.0 |
| O-glycosyl compound | 1 | 3.1 | 1.2 | 1.9 |
| Acetal | 1 | 3.1 | 1.5 | 1.7 |
| Glycosyl compound | 1 | 3.1 | 0.7 | 2.4 |
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 |
|---|---|---|---|---|---|
| document_4158 | 687.2380 | 687.2380 | None | 0.978 | 0.276 |
| document_4157 | 687.2370 | 687.2370 | None | 0.927 | 0.308 |
| document_4166 | 688.4130 | 688.4130 | None | 0.924 | 0.111 |
| document_467 | 419.2640 | 419.2640 | None | 0.737 | 0.162 |
| document_1111 | 435.2600 | 435.2600 | None | 0.687 | 0.157 |
| document_471 | 419.2660 | 419.2660 | None | 0.586 | 0.152 |
| document_472 | 419.2680 | 419.2680 | None | 0.578 | 0.159 |
| document_2545 | 535.1710 | 535.1710 | None | 0.445 | 0.180 |
| document_3774 | 651.2640 | 651.2640 | None | 0.383 | 0.050 |
| document_1960 | 491.1450 | 491.1450 | None | 0.372 | 0.181 |
| document_1517 | 461.5380 | 461.5380 | None | 0.307 | 0.069 |
| document_470 | 419.2650 | 419.2650 | None | 0.305 | 0.152 |
| document_1584 | 463.3010 | 463.3010 | None | 0.247 | 0.034 |
| document_1173 | 440.2480 | 440.2480 | None | 0.243 | 0.046 |
| document_3402 | 617.3460 | 617.3460 | None | 0.232 | 0.175 |
| document_3218 | 599.3370 | 599.3370 | None | 0.226 | 0.178 |
| document_3446 | 624.2170 | 624.2170 | None | 0.211 | 0.082 |
| document_4091 | 683.2410 | 683.2410 | None | 0.207 | 0.140 |
| document_3187 | 595.3810 | 595.3810 | None | 0.176 | 0.017 |
| document_3161 | 595.3300 | 595.3300 | None | 0.158 | 0.148 |
| document_1587 | 463.3020 | 463.3020 | None | 0.152 | 0.151 |
| document_216 | 409.1840 | 409.1840 | None | 0.111 | 0.156 |
| document_5499 | 797.4660 | 797.4660 | None | 0.099 | 0.213 |
| document_493 | 419.2770 | 419.2770 | None | 0.087 | 0.175 |
| document_3407 | 618.3310 | 618.3310 | None | 0.077 | 0.171 |
| document_1193 | 441.1680 | 441.1680 | B21A03 | 0.074 | 0.150 |
| document_1120 | 437.2230 | 437.2230 | None | 0.068 | 0.153 |
| document_1172 | 440.2490 | 440.2490 | None | 0.064 | 0.089 |
| document_2431 | 524.1530 | 524.1530 | None | 0.056 | 0.073 |
| document_275 | 413.2110 | 413.2110 | None | 0.055 | 0.151 |
| document_448 | 419.1520 | 419.1520 | None | 0.052 | 0.154 |
| document_430 | 419.0270 | 419.0270 | None | 0.052 | 0.150 |
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.