Mass2Motif: motif_218

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Leucine related Mass2Motif - general across species

Short Annotation: Leucine related Mass2Motif

Mass2Motif Details

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 0.9458360458099674. 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
fragment_132.0500 0.501
fragment_86.0500 0.234
fragment_261.1500 0.034
fragment_342.2500 0.028
loss_184.0500 0.018
loss_113.1500 0.015
fragment_70.0500 0.010
fragment_288.1500 0.010
loss_197.5500 0.009
fragment_198.1500 0.008
fragment_343.2500 0.007
fragment_72.0500 0.006
loss_172.1500 0.005
fragment_148.0500 0.005
fragment_129.0500 0.003
fragment_196.1500 0.003
fragment_127.0500 0.002
loss_147.1500 0.002
fragment_434.1500 0.002
fragment_262.1500 0.002
fragment_210.0500 0.002
loss_187.8500 0.002
loss_107.1500 0.002
fragment_416.1500 0.002
loss_190.0500 0.002
loss_159.0500 0.002
fragment_129.1500 0.002
loss_64.0500 0.002
loss_53.5500 0.002
fragment_93.0500 0.002
fragment_306.0500 0.002
fragment_480.4500 0.002
loss_61.8500 0.002
fragment_359.6500 0.002
fragment_266.1500 0.001
loss_35.1500 0.001
fragment_213.0500 0.001
fragment_254.1500 0.001
fragment_247.6500 0.001
loss_165.5500 0.001
fragment_59.3500 0.001
fragment_173.8500 0.001
fragment_65.0500 0.001
fragment_349.1500 0.001
loss_45.5500 0.001
fragment_298.1500 0.001
fragment_195.1500 0.001
loss_87.1500 0.001
fragment_255.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 72 100 100 0
Organooxygen compound 72 100 95.3 4.7
Organonitrogen compound 67 93.1 54.1 38.9
Organic nitrogen compound 62 86.1 55.6 30.5
Organopnictogen compound 59 81.9 45.2 36.7
Carbonyl group 56 77.8 44.0 33.7
Azacycle 33 45.8 22.6 23.2
Carboxamide group 7 9.7 5.5 4.2
Benzenoid 7 9.7 18.3 8.6
Amine 6 8.3 4.4 4.0
Organoheterocyclic compound 5 6.9 13.3 6.4
Aromatic heteropolycyclic compound 3 4.2 9.6 5.5
Alcohol 3 4.2 14.7 10.5
Aliphatic acyclic compound 2 2.8 2.9 0.2
Heteroaromatic compound 2 2.8 5.8 3.0
Primary amine 1 1.4 0.5 0.9
Primary alcohol 1 1.4 0.9 0.5
Secondary alcohol 1 1.4 7.7 6.3

Counts of Mass2Motif Features

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.

Fragmentation Spectra Explained by 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_262 413.2050 413.2050 None 0.842 0.764
document_266 413.2010 413.2010 None 0.758 0.758
document_267 413.2060 413.2060 None 0.751 0.737
document_257 413.2080 413.2080 None 0.697 0.752
document_260 413.2040 413.2040 None 0.691 0.737
document_270 413.2130 413.2130 None 0.682 0.755
document_278 413.2110 413.2110 None 0.651 0.743
document_277 413.2100 413.2100 None 0.641 0.747
document_261 413.2160 413.2160 None 0.639 0.781
document_272 413.2100 413.2100 None 0.637 0.764
document_268 413.2060 413.2060 None 0.636 0.755
document_264 413.2120 413.2120 None 0.597 0.770
document_256 413.2770 413.2770 None 0.590 0.750
document_269 413.2040 413.2040 None 0.567 0.749
document_276 413.2220 413.2220 None 0.549 0.745
document_275 413.2110 413.2110 None 0.546 0.757
document_279 413.2180 413.2180 None 0.536 0.752
document_1443 458.6670 458.6670 None 0.481 0.308
document_274 413.2140 413.2140 None 0.481 0.736
document_263 413.2080 413.2080 None 0.465 0.735
document_33 401.2970 401.2970 None 0.442 0.281
document_2616 542.3530 542.3530 None 0.428 0.286
document_2387 519.2620 519.2620 None 0.404 0.789
document_2162 499.2890 499.2890 None 0.402 0.778
document_2290 510.3120 510.3120 None 0.397 0.501
document_288 413.2150 413.2150 None 0.364 0.745
document_249 412.4860 412.4860 None 0.339 0.739
document_265 413.2010 413.2010 None 0.317 0.743
document_1328 446.1870 446.1870 None 0.304 0.735
document_313 413.2220 413.2220 None 0.265 0.734
document_1853 484.3120 484.3120 None 0.261 0.287
document_307 413.2160 413.2160 None 0.221 0.741
document_390 416.9680 416.9680 None 0.221 0.752
document_1021 432.7250 432.7250 None 0.205 0.755
document_273 413.2210 413.2210 None 0.189 0.538
document_323 413.2370 413.2370 None 0.187 0.510
document_35 401.2050 401.2050 None 0.185 0.746
document_1606 465.2330 465.2330 None 0.178 0.746
document_416 417.2030 417.2030 None 0.166 0.735
document_1905 489.3830 489.3830 None 0.140 0.297
document_318 413.2240 413.2240 None 0.140 0.745
document_425 418.1390 418.1390 None 0.140 0.511
document_836 429.9970 429.9970 None 0.129 0.741
document_30 401.2660 401.2660 None 0.129 0.273
document_2476 528.2710 528.2710 None 0.119 0.749
document_2631 545.2910 545.2910 None 0.112 0.511
document_2807 563.1670 563.1670 None 0.107 0.745
document_3837 660.3350 660.3350 None 0.105 0.747
document_2923 570.0970 570.0970 None 0.093 0.778
document_271 413.2030 413.2030 None 0.092 0.744
document_72 401.6130 401.6130 None 0.090 0.267
document_3439 622.3110 622.3110 None 0.089 0.772
document_2647 546.4080 546.4080 None 0.087 0.746
document_1365 450.2180 450.2180 None 0.086 0.503
document_1948 490.2380 490.2380 None 0.082 0.750
document_37 401.2170 401.2170 None 0.077 0.760
document_34 401.2010 401.2010 None 0.076 0.501
document_2724 553.3020 553.3020 None 0.074 0.735
document_2643 546.2630 546.2630 None 0.072 0.523
document_1889 487.3030 487.3030 None 0.071 0.788
document_3411 619.2830 619.2830 None 0.065 0.515
document_1932 489.2580 489.2580 None 0.065 0.752
document_1326 445.7460 445.7460 None 0.065 0.501
document_1450 456.8150 456.8150 None 0.065 0.269
document_3592 636.3750 636.3750 None 0.064 0.279
document_396 415.2580 415.2580 None 0.061 0.256
document_1851 484.2420 484.2420 None 0.057 0.748
document_1324 445.3030 445.3030 None 0.056 0.746
document_2602 542.1270 542.1270 None 0.055 0.274
document_2085 498.8130 498.8130 None 0.054 0.736
document_3413 619.3310 619.3310 None 0.052 0.750
document_1517 461.5380 461.5380 None 0.050 0.744

Fragmentation Spectra Plot

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.