Mass2Motif: motif_247

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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: None

Short Annotation: None

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 0.9694042008090691. 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_116.0500 0.844
fragment_489.1500 0.034
fragment_385.0500 0.012
fragment_490.1500 0.010
fragment_257.9500 0.008
fragment_59.9500 0.006
fragment_255.9500 0.006
fragment_118.0500 0.005
fragment_503.1500 0.005
fragment_88.0500 0.005
loss_187.3500 0.003
fragment_386.0500 0.003
fragment_148.0500 0.002
fragment_359.0500 0.002
fragment_504.1500 0.002
loss_163.9500 0.002
loss_158.8500 0.002
loss_167.2500 0.002
fragment_69.0500 0.002
fragment_307.1500 0.002
loss_111.5500 0.002
fragment_257.0500 0.002
fragment_133.9500 0.001
loss_178.1500 0.001
fragment_421.1500 0.001
fragment_681.4500 0.001
loss_109.7500 0.001
fragment_682.4500 0.001
fragment_311.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 123 100 100 0
Organooxygen compound 105 85.4 95.3 10.0
Organic nitrogen compound 96 78.0 55.6 22.4
Organopnictogen compound 91 74.0 45.2 28.7
Organonitrogen compound 86 69.9 54.1 15.8
Carbonyl group 62 50.4 44.0 6.4
Azacycle 18 14.6 22.6 8.0
Aliphatic acyclic compound 15 12.2 2.9 9.3
Organoheterocyclic compound 10 8.1 13.3 5.2
Alcohol 7 5.7 14.7 9.0
Secondary alcohol 6 4.9 7.7 2.8
Amine 6 4.9 4.4 0.5
Oxacycle 5 4.1 7.9 3.8
Benzenoid 4 3.3 18.3 15.1
Acetal 2 1.6 1.5 0.2
Aromatic heteropolycyclic compound 2 1.6 9.6 8.0
Heteroaromatic compound 2 1.6 5.8 4.1
Carboxylic acid ester 1 0.8 1.8 1.0

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_5812 955.3810 955.3810 None 0.999 0.044
document_5834 970.2000 970.2000 None 0.765 0.051
document_62 403.5150 403.5150 None 0.689 0.878
document_2558 536.2620 536.2620 None 0.681 0.848
document_1309 443.3330 443.3330 None 0.662 0.860
document_4560 707.1680 707.1680 None 0.638 0.867
document_1968 492.3510 492.3510 None 0.559 0.848
document_1279 443.3140 443.3140 None 0.556 0.858
document_1115 436.1160 436.1160 None 0.461 0.844
document_5848 985.3880 985.3880 None 0.451 0.044
document_255 412.7410 412.7410 None 0.430 0.850
document_382 415.0420 415.0420 None 0.411 0.864
document_1451 458.9370 458.9370 None 0.405 0.870
document_1310 443.3340 443.3340 None 0.394 0.852
document_1308 444.0050 444.0050 None 0.393 0.860
document_290 415.0340 415.0340 None 0.343 0.855
document_4370 699.0890 699.0890 None 0.327 0.873
document_3088 588.2330 588.2330 None 0.318 0.846
document_377 415.0400 415.0400 None 0.308 0.849
document_358 413.2810 413.2810 None 0.305 0.855
document_1485 457.3940 457.3940 None 0.304 0.852
document_378 415.0420 415.0420 None 0.304 0.855
document_1447 457.0300 457.0300 None 0.302 0.848
document_3800 655.0350 655.0350 None 0.301 0.861
document_359 413.2860 413.2860 None 0.295 0.856
document_1487 457.3980 457.3980 None 0.288 0.844
document_300 414.1340 414.1340 None 0.285 0.855
document_380 415.0420 415.0420 None 0.282 0.857
document_379 415.0420 415.0420 None 0.280 0.860
document_323 413.2370 413.2370 None 0.267 0.844
document_367 413.2700 413.2700 None 0.266 0.849
document_334 414.7880 414.7880 None 0.250 0.858
document_384 415.0420 415.0420 None 0.249 0.862
document_2994 577.3420 577.3420 None 0.240 0.849
document_1488 457.4000 457.4000 None 0.238 0.844
document_3519 632.1850 632.1850 None 0.236 0.844
document_1489 457.4010 457.4010 None 0.226 0.844
document_3711 644.2990 644.2990 None 0.222 0.844
document_381 415.0420 415.0420 None 0.222 0.855
document_55 401.2480 401.2480 None 0.220 0.850
document_1685 471.1050 471.1050 None 0.210 0.851
document_1270 443.2780 443.2780 None 0.209 0.849
document_368 413.2700 413.2700 None 0.202 0.849
document_2910 568.2910 568.2910 None 0.202 0.846
document_1888 486.2460 486.2460 None 0.200 0.844
document_2400 521.2610 521.2610 None 0.190 0.844
document_1205 443.1440 443.1440 None 0.186 0.857
document_1486 457.4000 457.4000 None 0.186 0.849
document_2733 554.2780 554.2780 None 0.183 0.849
document_695 425.1940 425.1940 None 0.177 0.844
document_3903 667.5980 667.5980 None 0.164 0.842
document_5927 1421.5940 1421.5940 None 0.161 0.044
document_63 401.2660 401.2660 None 0.156 0.844
document_3469 626.3320 626.3320 None 0.156 0.844
document_696 425.1920 425.1920 None 0.156 0.844
document_372 413.2950 413.2950 None 0.152 0.844
document_4956 733.1620 733.1620 None 0.147 0.844
document_94 401.3000 401.3000 None 0.142 0.844
document_383 415.0420 415.0420 None 0.138 0.860
document_693 425.1940 425.1940 None 0.137 0.843
document_2761 556.3830 556.3830 None 0.132 0.844
document_373 413.3020 413.3020 None 0.131 0.851
document_3314 610.3390 610.3390 None 0.131 0.844
document_352 413.2630 413.2630 None 0.130 0.844
document_5231 746.2450 746.2450 None 0.128 0.849
document_1267 443.2380 443.2380 None 0.127 0.858
document_2645 546.2850 546.2850 None 0.126 0.844
document_2826 564.2680 564.2680 None 0.124 0.844
document_1256 443.2760 443.2760 None 0.124 0.845
document_1266 443.2370 443.2370 None 0.123 0.855
document_1342 447.2580 447.2580 None 0.120 0.844
document_365 413.2700 413.2700 None 0.118 0.846
document_1581 463.3000 463.3000 None 0.117 0.844
document_2664 548.3000 548.3000 None 0.116 0.849
document_333 413.2440 413.2440 None 0.116 0.844
document_1555 463.2560 463.2560 None 0.114 0.847
document_4626 712.4030 712.4030 None 0.112 0.844
document_4995 733.3960 733.3960 None 0.109 0.844
document_50 401.3270 401.3270 None 0.108 0.855
document_2942 571.2670 571.2670 None 0.107 0.844
document_3032 582.3630 582.3630 Rosamicin 0.107 0.861
document_3320 612.2490 612.2490 None 0.103 0.844
document_4625 712.4030 712.4030 None 0.103 0.844
document_536 421.1950 421.1950 None 0.099 0.851
document_1722 473.2840 473.2840 None 0.098 0.844
document_4753 717.3980 717.3980 None 0.098 0.846
document_1422 455.2580 455.2580 None 0.096 0.844
document_161 405.2700 405.2700 None 0.094 0.855
document_688 425.1750 425.1750 None 0.092 0.844
document_366 413.2850 413.2850 None 0.092 0.853
document_799 429.1920 429.1920 None 0.091 0.844
document_3014 580.3460 580.3460 None 0.089 0.844
document_342 413.2580 413.2580 None 0.086 0.844
document_745 428.0090 428.0090 None 0.085 0.846
document_2518 532.2590 532.2590 None 0.084 0.879
document_3256 603.2950 603.2950 None 0.083 0.856
document_3209 598.3560 598.3560 21-hydroxyrosamicin 0.083 0.846
document_1950 490.2730 490.2730 None 0.082 0.845
document_2920 569.8720 569.8720 None 0.081 0.844
document_326 413.2600 413.2600 None 0.079 0.844
document_133 404.0270 404.0270 None 0.078 0.844
document_3202 597.5190 597.5190 None 0.078 0.846
document_329 413.2780 413.2780 None 0.076 0.849
document_3796 654.6110 654.6110 None 0.075 0.844
document_5317 761.3830 761.3830 None 0.073 0.846
document_95 401.3360 401.3360 None 0.068 0.844
document_971 430.9130 430.9130 None 0.066 0.844
document_1556 463.2540 463.2540 None 0.066 0.844
document_5560 816.4290 816.4290 None 0.066 0.844
document_5901 1107.0520 1107.0520 None 0.066 0.844
document_2648 546.2930 546.2930 None 0.066 0.844
document_3421 620.2580 620.2580 None 0.065 0.846
document_3248 602.3360 602.3360 None 0.061 0.845
document_3852 662.3040 662.3040 None 0.060 0.846
document_328 413.2540 413.2540 None 0.058 0.846
document_804 429.2420 429.2420 None 0.057 0.844
document_1161 439.2640 439.2640 None 0.057 0.844
document_1224 443.1010 443.1010 None 0.056 0.849
document_3447 624.3190 624.3190 None 0.056 0.844
document_3461 625.7660 625.7660 None 0.052 0.844
document_360 413.2650 413.2650 None 0.051 0.846
document_1149 437.2420 437.2420 None 0.050 0.844
document_2488 529.1810 529.1810 None 0.050 0.851

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.