Mass2Motif: motif_220

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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 0.9696707165987191. 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_139.0500 0.324
fragment_186.0500 0.194
fragment_287.0500 0.142
fragment_288.1500 0.084
fragment_185.0500 0.030
loss_118.2500 0.016
fragment_68.9500 0.013
fragment_420.2500 0.012
fragment_602.3500 0.011
fragment_193.0500 0.009
fragment_97.9500 0.009
loss_117.2500 0.008
fragment_136.9500 0.008
fragment_122.0500 0.007
fragment_157.0500 0.006
fragment_288.0500 0.006
fragment_305.2500 0.005
loss_180.9500 0.005
fragment_414.4500 0.005
fragment_221.1500 0.005
loss_194.4500 0.005
loss_166.2500 0.004
fragment_309.9500 0.004
loss_92.3500 0.004
fragment_113.0500 0.004
fragment_561.1500 0.004
fragment_289.0500 0.004
fragment_141.9500 0.004
fragment_332.1500 0.003
fragment_192.5500 0.003
fragment_256.7500 0.003
fragment_271.0500 0.002
loss_135.0500 0.002
fragment_394.2500 0.002
fragment_266.1500 0.002
loss_97.0500 0.002
fragment_267.2500 0.002
fragment_249.1500 0.002
loss_189.2500 0.002
fragment_322.5500 0.001
loss_98.5500 0.001
loss_75.4500 0.001
fragment_98.9500 0.001
fragment_56.9500 0.001
fragment_345.6500 0.001
fragment_64.9500 0.001
loss_148.4500 0.001
loss_168.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 60 100 100 0
Organooxygen compound 57 95 95.3 0.3
Organonitrogen compound 24 40 54.1 14.1
Organic nitrogen compound 23 38.3 55.6 17.3
Carbonyl group 21 35 44.0 9.0
Organopnictogen compound 18 30 45.2 15.2
Benzenoid 16 26.7 18.3 8.3
Azacycle 14 23.3 22.6 0.7
Heteroaromatic compound 12 20 5.8 14.2
Aromatic heteropolycyclic compound 12 20 9.6 10.4
Organoheterocyclic compound 7 11.7 13.3 1.7
Oxacycle 7 11.7 7.9 3.8
Alcohol 4 6.7 14.7 8.0
Carboxylic acid ester 2 3.3 1.8 1.5
Vinylogous acid 1 1.7 0.1 1.6
1-hydroxy-4-unsubstituted benzenoid 1 1.7 0.2 1.4
Carboxamide group 1 1.7 5.5 3.8
Secondary alcohol 1 1.7 7.7 6.0
1-hydroxy-2-unsubstituted benzenoid 1 1.7 1.3 0.4
Aliphatic acyclic compound 1 1.7 2.9 1.3

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_2506 531.3370 531.3370 None 0.877 0.086
document_3640 639.3360 639.3360 None 0.625 0.629
document_81 403.1630 403.1630 None 0.435 0.567
document_1117 437.1090 437.1090 None 0.429 0.155
document_70 401.5570 401.5570 None 0.386 0.042
document_1116 437.1160 437.1160 None 0.357 0.152
document_2765 557.2440 557.2440 None 0.324 0.337
document_3186 595.3810 595.3810 None 0.307 0.527
document_526 421.1350 421.1350 None 0.294 0.170
document_103 402.2810 402.2810 None 0.284 0.342
document_102 402.2810 402.2810 None 0.281 0.338
document_3643 639.3550 639.3550 None 0.256 0.540
document_527 421.1520 421.1520 None 0.245 0.165
document_128 403.2450 403.2450 None 0.239 0.354
document_1460 458.1670 458.1670 None 0.239 0.084
document_4914 727.4600 727.4600 None 0.232 0.103
document_101 402.2770 402.2770 None 0.208 0.229
document_2672 549.1140 549.1140 None 0.202 0.148
document_2013 495.2870 495.2870 None 0.194 0.342
document_106 402.7470 402.7470 None 0.186 0.360
document_1175 441.1180 441.1180 None 0.183 0.197
document_2695 551.2100 551.2100 None 0.158 0.193
document_2010 495.2860 495.2860 None 0.152 0.331
document_2014 495.2880 495.2880 None 0.148 0.324
document_4125 683.4340 683.4340 None 0.148 0.193
document_2717 553.2590 553.2590 None 0.145 0.520
document_525 421.2000 421.2000 None 0.142 0.159
document_105 402.8220 402.8220 None 0.137 0.324
document_3458 625.3920 625.3920 None 0.133 0.354
document_78 401.6370 401.6370 None 0.131 0.355
document_3641 639.3700 639.3700 None 0.130 0.150
document_2159 499.2420 499.2420 None 0.124 0.142
document_76 401.2630 401.2630 None 0.115 0.354
document_1588 463.3010 463.3010 None 0.115 0.194
document_3676 639.4080 639.4080 None 0.115 0.193
document_2009 495.2840 495.2840 None 0.105 0.324
document_2007 495.2840 495.2840 None 0.101 0.331
document_3661 639.4070 639.4070 None 0.098 0.194
document_2044 497.3010 497.3010 Alteramide B 0.096 0.334
document_2452 526.3230 526.3230 None 0.090 0.200
document_3663 639.4080 639.4080 None 0.088 0.354
document_5891 1078.3900 1078.3900 None 0.083 0.193
document_2046 497.3020 497.3020 None 0.080 0.324
document_1592 463.3020 463.3020 None 0.077 0.196
document_4104 683.3960 683.3960 None 0.073 0.324
document_325 413.2340 413.2340 None 0.072 0.148
document_2561 537.2370 537.2370 None 0.070 0.194
document_4121 683.4340 683.4340 None 0.070 0.324
document_3155 595.3390 595.3390 None 0.067 0.142
document_3841 661.2550 661.2550 None 0.067 0.147
document_77 401.2830 401.2830 None 0.063 0.223
document_420 417.2340 417.2340 None 0.060 0.084
document_16 400.3870 400.3870 None 0.059 0.324
document_3636 639.3630 639.3630 None 0.058 0.517
document_5820 957.5050 957.5050 None 0.055 0.142
document_3645 639.3570 639.3570 None 0.054 0.324
document_2934 570.3740 570.3740 None 0.054 0.324
document_258 413.1790 413.1790 None 0.051 0.192
document_3133 591.2920 591.2920 None 0.051 0.192
document_562 421.2310 421.2310 None 0.051 0.324

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.