Mass2Motif: motif_67

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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 0.9696268808339265. 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_120.9500 0.319
fragment_163.9500 0.244
loss_162.9500 0.109
loss_136.9500 0.086
loss_161.9500 0.044
fragment_67.0500 0.021
fragment_83.0500 0.020
fragment_600.4500 0.017
fragment_599.4500 0.015
loss_141.0500 0.011
fragment_571.4500 0.008
fragment_69.0500 0.008
fragment_598.4500 0.008
loss_140.0500 0.005
fragment_572.4500 0.004
fragment_176.9500 0.004
fragment_441.1500 0.004
fragment_571.3500 0.003
fragment_122.9500 0.003
fragment_697.3500 0.003
fragment_572.3500 0.003
fragment_669.3500 0.002
fragment_194.9500 0.002
fragment_612.4500 0.002
loss_43.0500 0.002
fragment_521.3500 0.002
fragment_599.3500 0.002
fragment_57.0500 0.002
fragment_601.4500 0.002
fragment_545.4500 0.002
fragment_459.1500 0.002
loss_42.9500 0.002
fragment_93.8500 0.001
fragment_72.1500 0.001
fragment_415.1500 0.001
fragment_145.9500 0.001
fragment_96.0500 0.001
loss_160.9500 0.001
loss_139.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 119 100 100 0
Organooxygen compound 107 89.9 95.3 5.4
Carbonyl group 65 54.6 44.0 10.6
Organonitrogen compound 55 46.2 54.1 7.9
Organic nitrogen compound 53 44.5 55.6 11.1
Alcohol 48 40.3 14.7 25.7
Organopnictogen compound 36 30.3 45.2 15.0
Secondary alcohol 24 20.2 7.7 12.5
Organoheterocyclic compound 19 16.0 13.3 2.6
Oxacycle 10 8.4 7.9 0.5
Azacycle 8 6.7 22.6 15.9
Primary alcohol 4 3.4 0.9 2.5
Oxane 4 3.4 1.9 1.5
Polyol 4 3.4 1.6 1.8
O-glycosyl compound 3 2.5 1.2 1.3
Acetal 3 2.5 1.5 1.1
Benzenoid 3 2.5 18.3 15.8
Carboxylic acid ester 3 2.5 1.8 0.7
Aromatic heteropolycyclic compound 2 1.7 9.6 8.0
Glycosyl compound 1 0.8 0.7 0.1
Heteroaromatic compound 1 0.8 5.8 4.9
Amine 1 0.8 4.4 3.5
Carboxamide group 1 0.8 5.5 4.6

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_5089 738.3960 738.3960 None 0.645 0.709
document_5110 740.4400 740.4400 None 0.640 0.896
document_5127 740.4310 740.4310 None 0.637 0.843
document_5133 740.4100 740.4100 None 0.625 0.863
document_4619 712.4230 712.4230 None 0.624 0.867
document_5121 740.4420 740.4420 None 0.618 0.673
document_4152 686.4710 686.4710 None 0.610 0.346
document_4369 698.4390 698.4390 None 0.595 0.758
document_5251 752.4800 752.4800 None 0.594 0.708
document_4607 712.4100 712.4100 None 0.581 0.851
document_4605 712.4060 712.4060 None 0.573 0.877
document_4594 712.3760 712.3760 None 0.571 0.850
document_5118 740.4090 740.4090 None 0.568 0.872
document_5111 740.4100 740.4100 None 0.565 0.774
document_5124 740.4430 740.4430 None 0.564 0.609
document_5107 740.4220 740.4220 None 0.563 0.885
document_4624 712.4700 712.4700 None 0.560 0.774
document_5109 740.4330 740.4330 None 0.554 0.853
document_5063 738.4070 738.4070 None 0.554 0.793
document_4604 712.3530 712.3530 None 0.552 0.862
document_5078 738.3960 738.3960 None 0.546 0.717
document_4621 712.4180 712.4180 None 0.542 0.838
document_4617 712.4290 712.4290 None 0.532 0.848
document_5120 740.4100 740.4100 None 0.527 0.837
document_5074 738.3950 738.3950 None 0.526 0.767
document_5061 738.3950 738.3950 None 0.524 0.758
document_3823 658.3930 658.3930 None 0.520 0.751
document_5079 738.3950 738.3950 None 0.517 0.608
document_5108 740.4560 740.4560 None 0.514 0.785
document_5119 740.4100 740.4100 None 0.511 0.866
document_4603 712.3600 712.3600 None 0.509 0.823
document_4620 712.4110 712.4110 None 0.509 0.859
document_5250 752.4320 752.4320 None 0.505 0.752
document_5130 740.4520 740.4520 None 0.497 0.790
document_4883 726.4120 726.4120 None 0.489 0.859
document_5126 740.4340 740.4340 None 0.481 0.773
document_5116 740.4100 740.4100 None 0.477 0.718
document_5122 740.4350 740.4350 None 0.462 0.782
document_5114 740.4490 740.4490 None 0.458 0.812
document_5125 740.4430 740.4430 None 0.457 0.680
document_5072 738.4050 738.4050 None 0.439 0.811
document_5083 738.4390 738.4390 None 0.432 0.664
document_4874 726.4010 726.4010 None 0.415 0.831
document_5252 752.4090 752.4090 None 0.404 0.738
document_5065 738.4000 738.4000 None 0.388 0.760
document_5090 738.3960 738.3960 None 0.379 0.736
document_5051 738.3980 738.3980 None 0.366 0.793
document_5047 738.3960 738.3960 None 0.346 0.736
document_5052 738.4060 738.4060 None 0.346 0.770
document_1761 476.2740 476.2740 None 0.340 0.474
document_4139 684.3880 684.3880 None 0.335 0.742
document_5050 738.4060 738.4060 None 0.317 0.676
document_5080 738.3950 738.3950 None 0.298 0.875
document_5091 738.3960 738.3960 None 0.294 0.744
document_1349 448.2400 448.2400 None 0.288 0.476
document_1542 462.2590 462.2590 None 0.278 0.439
document_5056 738.3950 738.3950 None 0.274 0.830
document_4599 710.4140 710.4140 None 0.271 0.702
document_5058 738.3950 738.3950 None 0.265 0.776
document_5044 738.3950 738.3950 None 0.264 0.733
document_5087 738.3960 738.3960 None 0.254 0.719
document_5045 738.4040 738.4040 None 0.253 0.749
document_5000 734.4120 734.4120 None 0.252 0.351
document_5059 738.3950 738.3950 None 0.250 0.649
document_5062 738.3950 738.3950 None 0.247 0.734
document_5112 740.4100 740.4100 None 0.238 0.705
document_5038 738.3850 738.3850 None 0.235 0.762
document_5337 766.4940 766.4940 None 0.221 0.751
document_5040 738.3680 738.3680 None 0.218 0.746
document_5132 740.4820 740.4820 None 0.214 0.527
document_4600 710.4110 710.4110 None 0.213 0.756
document_5066 738.3950 738.3950 None 0.204 0.762
document_5092 738.3960 738.3960 None 0.203 0.650
document_5339 766.4890 766.4890 None 0.198 0.726
document_5341 766.4450 766.4450 None 0.192 0.696
document_5042 738.3530 738.3530 None 0.192 0.743
document_5148 740.5150 740.5150 None 0.191 0.460
document_5082 738.3950 738.3950 None 0.185 0.640
document_5113 740.4860 740.4860 None 0.179 0.626
document_5012 734.3810 734.3810 None 0.175 0.691
document_5123 740.4100 740.4100 None 0.175 0.753
document_5095 738.4420 738.4420 None 0.171 0.686
document_5049 738.4150 738.4150 None 0.167 0.628
document_5003 734.3930 734.3930 None 0.163 0.673
document_5093 738.3960 738.3960 None 0.162 0.699
document_5057 738.3950 738.3950 None 0.155 0.771
document_5088 738.4170 738.4170 None 0.151 0.634
document_4865 724.3240 724.3240 None 0.151 0.746
document_5068 738.4120 738.4120 None 0.143 0.713
document_5048 738.3950 738.3950 None 0.139 0.713
document_2186 502.2110 502.2110 None 0.128 0.726
document_5001 734.4040 734.4040 None 0.127 0.694
document_4622 712.4170 712.4170 None 0.124 0.692
document_5053 738.4010 738.4010 None 0.124 0.736
document_5006 734.3690 734.3690 None 0.120 0.669
document_5150 740.5140 740.5140 None 0.116 0.595
document_5009 734.4040 734.4040 None 0.114 0.656
document_5076 738.4330 738.4330 None 0.107 0.684
document_4881 726.5000 726.5000 None 0.101 0.610
document_4623 712.4340 712.4340 None 0.091 0.700
document_5064 738.3950 738.3950 None 0.091 0.710
document_2577 539.1700 539.1700 None 0.089 0.153
document_4963 734.3860 734.3860 None 0.088 0.663
document_5152 740.5140 740.5140 None 0.087 0.470
document_4998 734.3850 734.3850 None 0.084 0.679
document_5147 740.5160 740.5160 None 0.082 0.481
document_5070 738.3950 738.3950 None 0.082 0.719
document_771 429.1790 429.1790 None 0.081 0.153
document_5424 776.5100 776.5100 None 0.080 0.405
document_5008 734.4070 734.4070 None 0.076 0.660
document_3329 612.3980 612.3980 None 0.074 0.610
document_5338 766.5240 766.5240 None 0.073 0.521
document_5085 738.3950 738.3950 None 0.066 0.679
document_5266 754.5290 754.5290 None 0.064 0.627
document_5046 738.4030 738.4030 None 0.063 0.635
document_1924 488.2700 488.2700 None 0.061 0.465
document_5131 740.4680 740.4680 None 0.056 0.784
document_190 408.1590 408.1590 None 0.055 0.109
document_5128 740.5130 740.5130 None 0.054 0.598

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.