Mass2Motif: motif_260

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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 0.9504866977406372. 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
loss_114.0500 0.475
fragment_381.2500 0.128
fragment_115.0500 0.069
loss_113.0500 0.067
fragment_382.2500 0.023
fragment_235.0500 0.019
fragment_301.2500 0.013
fragment_407.2500 0.012
fragment_480.2500 0.007
fragment_736.0500 0.006
loss_26.4500 0.006
fragment_167.0500 0.006
fragment_593.4500 0.006
loss_134.0500 0.006
loss_112.0500 0.006
fragment_733.9500 0.005
loss_28.5500 0.005
loss_98.0500 0.005
fragment_720.7500 0.005
loss_41.7500 0.004
fragment_57.0500 0.004
fragment_853.5500 0.004
loss_158.0500 0.004
fragment_71.0500 0.004
loss_196.0500 0.003
loss_180.3500 0.003
fragment_254.8500 0.003
fragment_96.9500 0.003
fragment_227.2500 0.002
fragment_58.9500 0.002
fragment_323.1500 0.002
fragment_93.7500 0.002
loss_130.1500 0.002
fragment_98.9500 0.002
fragment_680.4500 0.002
fragment_265.1500 0.002
loss_99.0500 0.002
fragment_301.1500 0.002
fragment_160.9500 0.002
fragment_525.3500 0.002
fragment_221.9500 0.002
loss_82.0500 0.002
fragment_391.2500 0.002
loss_33.8500 0.002
fragment_401.3500 0.002
fragment_642.4500 0.001
fragment_272.0500 0.001
loss_194.0500 0.001
loss_163.1500 0.001
loss_170.0500 0.001
loss_67.0500 0.001
fragment_315.1500 0.001
loss_151.9500 0.001
fragment_339.2500 0.001
loss_157.9500 0.001
fragment_89.0500 0.001
fragment_499.4500 0.001
loss_164.4500 0.001
fragment_270.7500 0.001
fragment_176.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 58 100 100 0
Organooxygen compound 56 96.6 95.3 1.2
Benzenoid 19 32.8 18.3 14.4
Carbonyl group 13 22.4 44.0 21.6
Organic nitrogen compound 12 20.7 55.6 34.9
Organonitrogen compound 12 20.7 54.1 33.4
Alcohol 7 12.1 14.7 2.6
Oxacycle 6 10.3 7.9 2.4
Organopnictogen compound 6 10.3 45.2 34.9
Aromatic heteropolycyclic compound 6 10.3 9.6 0.7
Heteroaromatic compound 5 8.6 5.8 2.9
Organoheterocyclic compound 4 6.9 13.3 6.4
Azacycle 4 6.9 22.6 15.7
Secondary alcohol 2 3.4 7.7 4.3
Primary alcohol 1 1.7 0.9 0.9
1-hydroxy-2-unsubstituted benzenoid 1 1.7 1.3 0.4
1-hydroxy-4-unsubstituted benzenoid 1 1.7 0.2 1.5
Amine 1 1.7 4.4 2.6
Carboxamide group 1 1.7 5.5 3.8

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_5105 739.5990 739.5990 None 0.971 0.151
document_5323 762.4960 762.4960 None 0.667 0.057
document_2406 521.3450 521.3450 None 0.568 0.624
document_1096 435.2190 435.2190 None 0.530 0.638
document_1094 435.2110 435.2110 None 0.519 0.655
document_1080 435.2110 435.2110 None 0.518 0.618
document_1092 435.2130 435.2130 None 0.514 0.631
document_1088 435.2110 435.2110 None 0.488 0.641
document_1107 435.2120 435.2120 None 0.481 0.636
document_1100 435.2120 435.2120 None 0.470 0.621
document_1109 435.2120 435.2120 None 0.467 0.645
document_1098 435.2170 435.2170 None 0.465 0.625
document_1101 435.2120 435.2120 None 0.460 0.636
document_1086 435.2110 435.2110 None 0.457 0.661
document_1083 435.2120 435.2120 None 0.455 0.643
document_1072 435.2000 435.2000 None 0.449 0.638
document_1093 435.2110 435.2110 None 0.440 0.614
document_1071 435.1900 435.1900 None 0.426 0.646
document_1104 435.2120 435.2120 None 0.418 0.634
document_1091 435.2110 435.2110 None 0.417 0.648
document_1105 435.2140 435.2140 None 0.412 0.633
document_1090 435.2110 435.2110 None 0.410 0.621
document_1103 435.2110 435.2110 None 0.406 0.619
document_1110 435.2120 435.2120 None 0.406 0.621
document_1089 435.2120 435.2120 None 0.406 0.651
document_1102 435.2120 435.2120 None 0.401 0.629
document_1106 435.2120 435.2120 None 0.393 0.623
document_1095 435.2110 435.2110 None 0.391 0.561
document_1085 435.2110 435.2110 None 0.387 0.551
document_5014 734.4260 734.4260 None 0.386 0.164
document_1082 435.2110 435.2110 None 0.381 0.663
document_4991 734.3870 734.3870 None 0.368 0.157
document_1099 435.2170 435.2170 None 0.349 0.497
document_2374 517.5240 517.5240 None 0.341 0.156
document_1360 449.2810 449.2810 None 0.316 0.151
document_1097 435.2110 435.2110 None 0.316 0.643
document_1358 449.2680 449.2680 None 0.313 0.160
document_1079 435.2110 435.2110 None 0.217 0.660
document_1087 435.2120 435.2120 None 0.212 0.612
document_1355 449.1910 449.1910 None 0.211 0.635
document_1081 435.2110 435.2110 None 0.179 0.586
document_4966 733.2420 733.2420 None 0.168 0.132
document_4965 732.4050 732.4050 None 0.163 0.151
document_1714 473.2300 473.2300 None 0.155 0.611
document_517 420.2340 420.2340 None 0.129 0.475
document_1133 437.2300 437.2300 None 0.123 0.479
document_5837 971.4810 971.4810 None 0.113 0.475
document_3962 675.5650 675.5650 None 0.099 0.479
document_4967 732.4060 732.4060 None 0.093 0.161
document_3934 672.3050 672.3050 None 0.083 0.544
document_3348 613.2480 613.2480 None 0.080 0.475
document_1743 475.2870 475.2870 None 0.080 0.482
document_3869 664.3700 664.3700 None 0.079 0.151
document_1078 435.2110 435.2110 None 0.071 0.577
document_5279 757.3230 757.3230 None 0.069 0.132
document_3756 647.5330 647.5330 None 0.068 0.542
document_1067 433.2920 433.2920 None 0.057 0.476
document_3953 673.5600 673.5600 None 0.055 0.616

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.