Mass2Motif: motif_127

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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 0.9700203279168003. 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_295.1500 0.459
fragment_193.0500 0.166
fragment_223.1500 0.111
fragment_296.1500 0.026
loss_106.1500 0.018
loss_178.1500 0.013
fragment_347.0500 0.012
fragment_134.9500 0.011
fragment_291.0500 0.010
fragment_294.1500 0.009
fragment_293.0500 0.008
loss_143.0500 0.006
fragment_408.2500 0.006
fragment_267.0500 0.005
fragment_380.2500 0.005
fragment_425.1500 0.005
loss_41.1500 0.005
fragment_360.1500 0.005
loss_159.0500 0.005
loss_126.1500 0.004
loss_114.1500 0.004
loss_100.2500 0.003
fragment_251.1500 0.003
fragment_234.1500 0.003
fragment_250.9500 0.003
fragment_349.0500 0.003
fragment_291.1500 0.003
fragment_457.7500 0.003
loss_20.4500 0.003
fragment_403.1500 0.003
fragment_300.9500 0.003
loss_183.1500 0.003
loss_110.1500 0.002
loss_134.2500 0.002
fragment_211.0500 0.002
fragment_273.1500 0.002
loss_111.1500 0.002
loss_167.1500 0.002
loss_132.1500 0.002
loss_108.1500 0.002
loss_122.1500 0.002
fragment_187.0500 0.002
fragment_236.0500 0.002
loss_165.2500 0.002
fragment_326.7500 0.002
fragment_329.1500 0.002
fragment_645.2500 0.002
fragment_362.8500 0.002
loss_74.5500 0.002
fragment_139.3500 0.001
loss_189.9500 0.001
fragment_407.1500 0.001
fragment_331.0500 0.001
loss_147.9500 0.001
loss_70.2500 0.001
fragment_303.0500 0.001
fragment_258.0500 0.001
loss_78.0500 0.001
loss_176.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 94 100 100 0
Organooxygen compound 90 95.7 95.3 0.4
Organic nitrogen compound 43 45.7 55.6 9.9
Organonitrogen compound 41 43.6 54.1 10.5
Benzenoid 38 40.4 18.3 22.1
Organopnictogen compound 32 34.0 45.2 11.2
Aromatic heteropolycyclic compound 24 25.5 9.6 15.9
Carbonyl group 23 24.5 44.0 19.6
Azacycle 21 22.3 22.6 0.3
Heteroaromatic compound 12 12.8 5.8 7.0
Organoheterocyclic compound 10 10.6 13.3 2.7
Oxacycle 8 8.5 7.9 0.6
Carboxamide group 3 3.2 5.5 2.3
Alcohol 3 3.2 14.7 11.5
Amine 2 2.1 4.4 2.2
Secondary alcohol 2 2.1 7.7 5.6
Polyol 2 2.1 1.6 0.5
1-hydroxy-2-unsubstituted benzenoid 2 2.1 1.3 0.8
Oxane 1 1.1 1.9 0.8
O-glycosyl compound 1 1.1 1.2 0.1
Acetal 1 1.1 1.5 0.4

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_2423 523.2830 523.2830 None 0.766 0.515
document_4564 707.3290 707.3290 None 0.670 0.485
document_163 405.2930 405.2930 None 0.613 0.661
document_2743 555.2490 555.2490 None 0.578 0.491
document_1783 478.1370 478.1370 None 0.492 0.040
document_56 401.2470 401.2470 None 0.428 0.517
document_526 421.1350 421.1350 None 0.374 0.166
document_1841 483.2030 483.2030 None 0.327 0.464
document_1157 439.1760 439.1760 None 0.311 0.500
document_1963 491.2970 491.2970 None 0.298 0.596
document_1158 439.1760 439.1760 None 0.282 0.463
document_1155 439.1760 439.1760 None 0.261 0.473
document_3417 619.4370 619.4370 None 0.257 0.572
document_1401 453.1930 453.1930 None 0.253 0.478
document_536 421.1950 421.1950 None 0.244 0.185
document_1224 443.1010 443.1010 None 0.224 0.599
document_525 421.2000 421.2000 None 0.218 0.167
document_5411 771.3750 771.3750 None 0.210 0.014
document_1840 483.2030 483.2030 None 0.210 0.485
document_2560 537.2230 537.2230 None 0.209 0.485
document_580 421.2320 421.2320 None 0.206 0.469
document_3418 619.4370 619.4370 None 0.204 0.485
document_2005 495.2840 495.2840 None 0.183 0.114
document_1984 493.3000 493.3000 None 0.182 0.488
document_1594 463.3020 463.3020 None 0.163 0.582
document_528 421.1640 421.1640 None 0.162 0.168
document_1633 467.2180 467.2180 None 0.156 0.165
document_61 401.2480 401.2480 None 0.151 0.485
document_527 421.1520 421.1520 None 0.146 0.165
document_3100 589.4260 589.4260 None 0.143 0.596
document_1343 447.8060 447.8060 None 0.142 0.166
document_1156 439.1760 439.1760 None 0.140 0.464
document_2006 495.2790 495.2790 None 0.139 0.653
document_1753 475.3790 475.3790 None 0.135 0.472
document_321 413.2390 413.2390 None 0.133 0.169
document_3520 632.3090 632.3090 None 0.127 0.166
document_220 409.8090 409.8090 None 0.122 0.461
document_2559 536.7790 536.7790 None 0.120 0.464
document_2492 529.2930 529.2930 None 0.120 0.111
document_425 418.1390 418.1390 None 0.119 0.166
document_3285 607.8130 607.8130 None 0.115 0.111
document_595 421.2320 421.2320 None 0.113 0.459
document_789 429.1790 429.1790 None 0.113 0.166
document_2510 531.3850 531.3850 None 0.112 0.459
document_618 421.2320 421.2320 None 0.109 0.464
document_1874 485.3450 485.3450 None 0.109 0.596
document_547 421.2300 421.2300 None 0.108 0.459
document_2782 559.4160 559.4160 None 0.107 0.596
document_1575 463.2860 463.2860 None 0.103 0.625
document_2004 495.2690 495.2690 None 0.102 0.459
document_594 421.2320 421.2320 None 0.102 0.459
document_619 421.2320 421.2320 None 0.101 0.464
document_574 421.2320 421.2320 None 0.098 0.459
document_162 405.2930 405.2930 None 0.097 0.572
document_546 421.2310 421.2310 None 0.093 0.459
document_2547 535.3080 535.3080 None 0.092 0.572
document_2512 531.3850 531.3850 None 0.090 0.570
document_47 401.2470 401.2470 None 0.089 0.170
document_1629 467.2010 467.2010 Staurosporine 0.089 0.485
document_2221 505.3460 505.3460 None 0.088 0.573
document_2803 561.3970 561.3970 None 0.083 0.570
document_1731 474.6890 474.6890 None 0.081 0.459
document_1018 431.2500 431.2500 None 0.079 0.138
document_904 430.9100 430.9100 None 0.079 0.111
document_947 430.9120 430.9120 None 0.077 0.458
document_2182 501.3540 501.3540 None 0.077 0.462
document_313 413.2220 413.2220 None 0.076 0.459
document_813 429.2420 429.2420 None 0.075 0.459
document_2294 511.1580 511.1580 None 0.073 0.461
document_820 429.2460 429.2460 None 0.073 0.465
document_599 421.2320 421.2320 None 0.072 0.460
document_4587 709.2870 709.2870 None 0.071 0.485
document_2716 553.2530 553.2530 None 0.070 0.459
document_827 429.2460 429.2460 None 0.069 0.484
document_79 401.2730 401.2730 None 0.067 0.166
document_496 420.1280 420.1280 None 0.065 0.459
document_2575 537.4890 537.4890 None 0.064 0.459
document_1379 451.1210 451.1210 None 0.064 0.166
document_1236 442.7340 442.7340 None 0.064 0.459
document_3157 595.3390 595.3390 None 0.062 0.111
document_537 421.2090 421.2090 None 0.061 0.650
document_64 401.2470 401.2470 None 0.060 0.459
document_1693 474.9670 474.9670 None 0.059 0.571
document_51 401.2470 401.2470 None 0.059 0.128
document_1799 480.3820 480.3820 None 0.058 0.165
document_1424 455.3140 455.3140 None 0.058 0.166
document_1151 439.1040 439.1040 None 0.058 0.459
document_981 430.9130 430.9130 None 0.057 0.456
document_3982 677.4710 677.4710 None 0.057 0.111
document_74 401.2530 401.2530 None 0.057 0.166
document_1311 443.3470 443.3470 None 0.057 0.166
document_4154 686.4740 686.4740 None 0.056 0.114
document_42 402.3110 402.3110 None 0.055 0.459
document_1305 443.3320 443.3320 None 0.053 0.166

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.