Mass2Motif: motif_84

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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 0.9574881289593419. 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_399.2500 0.315
loss_83.0500 0.046
fragment_400.2500 0.045
fragment_382.2500 0.041
loss_142.9500 0.038
fragment_473.2500 0.037
fragment_85.6500 0.027
fragment_619.7500 0.025
loss_174.0500 0.024
fragment_263.0500 0.022
fragment_202.0500 0.020
loss_135.1500 0.017
fragment_428.1500 0.016
fragment_187.2500 0.016
loss_18.4500 0.010
fragment_665.9500 0.010
loss_68.8500 0.010
fragment_373.2500 0.010
fragment_984.4500 0.009
loss_57.5500 0.009
fragment_940.9500 0.008
loss_101.0500 0.008
loss_143.5500 0.007
fragment_101.0500 0.007
loss_147.5500 0.006
loss_135.4500 0.006
fragment_570.2500 0.005
loss_167.6500 0.005
fragment_187.0500 0.005
fragment_262.4500 0.005
fragment_548.9500 0.004
loss_100.1500 0.004
fragment_934.4500 0.004
loss_107.5500 0.004
fragment_941.4500 0.004
loss_100.5500 0.004
loss_22.0500 0.004
fragment_928.9500 0.003
loss_113.0500 0.003
fragment_174.1500 0.003
fragment_630.2500 0.003
fragment_662.2500 0.003
loss_54.1500 0.003
fragment_977.3500 0.003
fragment_847.4500 0.003
loss_194.5500 0.003
loss_99.1500 0.003
fragment_806.2500 0.003
fragment_429.2500 0.003
fragment_130.1500 0.003
fragment_250.2500 0.003
loss_191.8500 0.003
loss_82.0500 0.003
fragment_203.1500 0.003
fragment_865.8500 0.003
loss_176.1500 0.003
loss_130.0500 0.002
fragment_311.2500 0.002
loss_195.6500 0.002
fragment_488.7500 0.002
fragment_911.9500 0.002
loss_140.9500 0.002
loss_64.6500 0.002
fragment_618.7500 0.002
fragment_238.1500 0.002
fragment_326.1500 0.002
fragment_346.1500 0.002
fragment_345.1500 0.002
fragment_797.3500 0.002
fragment_778.9500 0.002
loss_131.4500 0.002
fragment_602.2500 0.002
fragment_724.2500 0.002
fragment_383.1500 0.002
fragment_198.0500 0.002
fragment_766.3500 0.002
fragment_828.9500 0.002
fragment_750.8500 0.002
fragment_598.1500 0.002
fragment_268.1500 0.002
fragment_283.1500 0.002
fragment_101.7500 0.002
fragment_765.3500 0.002
fragment_285.1500 0.002
fragment_499.2500 0.002
fragment_519.2500 0.001
fragment_421.2500 0.001
loss_45.7500 0.001
fragment_537.5500 0.001
fragment_497.1500 0.001
loss_172.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 17 100 100 0
Organooxygen compound 16 94.1 95.3 1.2
Organic nitrogen compound 12 70.6 55.6 15.0
Organopnictogen compound 12 70.6 45.2 25.3
Organonitrogen compound 12 70.6 54.1 16.5
Carbonyl group 10 58.8 44.0 14.8
Azacycle 8 47.1 22.6 24.4
Organoheterocyclic compound 7 41.2 13.3 27.9
Benzenoid 6 35.3 18.3 16.9
Aromatic heteropolycyclic compound 5 29.4 9.6 19.8
Alcohol 4 23.5 14.7 8.9
Amine 4 23.5 4.4 19.2
Carboxamide group 4 23.5 5.5 18.0
Secondary alcohol 3 17.6 7.7 9.9
Oxacycle 3 17.6 7.9 9.7
Polyol 1 5.9 1.6 4.3
1-hydroxy-2-unsubstituted benzenoid 1 5.9 1.3 4.6
Heteroaromatic compound 1 5.9 5.8 0.1
Carboxylic acid ester 1 5.9 1.8 4.1

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_4138 684.3520 684.3520 None 0.911 0.418
document_2760 556.3520 556.3520 None 0.796 0.276
document_5876 1041.9990 1041.9990 None 0.652 0.125
document_3037 583.3440 583.3440 None 0.456 0.373
document_1230 442.0640 442.0640 None 0.370 0.086
document_1236 442.7340 442.7340 None 0.336 0.034
document_4093 683.2640 683.2640 None 0.244 0.365
document_3402 617.3460 617.3460 None 0.121 0.363
document_1992 494.5260 494.5260 None 0.101 0.315
document_4089 682.3740 682.3740 None 0.098 0.374
document_3258 603.3250 603.3250 None 0.096 0.415
document_2170 499.3740 499.3740 None 0.086 0.362
document_2076 498.4060 498.4060 None 0.075 0.369
document_2637 545.3770 545.3770 None 0.068 0.315
document_1233 443.8150 443.8150 None 0.064 0.335
document_4588 709.4140 709.4140 None 0.057 0.383
document_3255 603.3060 603.3060 None 0.055 0.356

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.