Mass2Motif: motif_125

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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: Terpene related motif - Streptomyces related

Short Annotation: Terpene related motif

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 0.9580520610460159. 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_441.3500 0.226
fragment_423.3500 0.185
fragment_599.3500 0.082
fragment_442.3500 0.075
fragment_424.3500 0.063
fragment_600.3500 0.030
fragment_203.1500 0.018
fragment_141.0500 0.018
fragment_581.3500 0.018
fragment_305.0500 0.016
fragment_85.0500 0.015
fragment_582.3500 0.013
fragment_147.0500 0.012
fragment_405.3500 0.010
fragment_159.0500 0.008
fragment_217.1500 0.008
fragment_617.4500 0.007
fragment_119.0500 0.006
fragment_309.1500 0.006
fragment_129.0500 0.006
fragment_425.3500 0.006
fragment_601.4500 0.006
fragment_974.9500 0.005
fragment_599.4500 0.005
fragment_443.3500 0.005
fragment_247.2500 0.004
fragment_600.4500 0.004
fragment_75.0500 0.004
fragment_161.1500 0.004
fragment_163.0500 0.004
fragment_189.1500 0.004
fragment_798.9500 0.004
loss_126.5500 0.004
fragment_365.3500 0.004
fragment_145.0500 0.003
fragment_614.5500 0.003
loss_168.0500 0.003
fragment_177.1500 0.003
fragment_219.1500 0.003
fragment_191.1500 0.003
fragment_273.1500 0.003
fragment_306.0500 0.003
fragment_618.3500 0.003
fragment_321.0500 0.003
fragment_323.0500 0.003
fragment_635.4500 0.003
fragment_221.1500 0.003
fragment_225.0500 0.002
fragment_287.0500 0.002
fragment_849.9500 0.002
loss_93.6500 0.002
fragment_204.1500 0.002
fragment_797.4500 0.002
fragment_636.3500 0.002
fragment_381.3500 0.002
fragment_222.1500 0.002
fragment_365.2500 0.002
fragment_886.4500 0.002
loss_41.1500 0.002
fragment_902.3500 0.002
fragment_133.0500 0.002
fragment_179.0500 0.002
fragment_195.1500 0.001
fragment_293.2500 0.001
fragment_605.4500 0.001
fragment_781.4500 0.001
fragment_779.4500 0.001
fragment_292.1500 0.001
fragment_339.0500 0.001
fragment_618.4500 0.001
fragment_406.3500 0.001
fragment_566.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 30 100 100 0
Organooxygen compound 30 100 95.3 4.7
Carbonyl group 20 66.7 44.0 22.6
Alcohol 14 46.7 14.7 32.0
Secondary alcohol 10 33.3 7.7 25.6
Organoheterocyclic compound 8 26.7 13.3 13.3
Polyol 8 26.7 1.6 25.1
Oxane 7 23.3 1.9 21.4
Oxacycle 7 23.3 7.9 15.4
O-glycosyl compound 4 13.3 1.2 12.1
Organic nitrogen compound 3 10 55.6 45.6
Primary alcohol 3 10 0.9 9.1
Aliphatic heteropolycyclic compound 2 6.7 0.1 6.5
Acetal 2 6.7 1.5 5.2
Glycosyl compound 1 3.3 0.7 2.6
Azacycle 1 3.3 22.6 19.3
Organopnictogen compound 1 3.3 45.2 41.9
Organonitrogen compound 1 3.3 54.1 50.8
Aliphatic acyclic compound 1 3.3 2.9 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_5800 943.5240 943.5240 None 0.979 0.632
document_5894 1089.5790 1089.5790 None 0.975 0.618
document_5350 767.4250 767.4250 None 0.966 0.782
document_5797 943.5240 943.5240 None 0.955 0.829
document_5781 925.5150 925.5150 None 0.937 0.642
document_5765 913.5120 913.5120 None 0.932 0.790
document_5823 959.5180 959.5180 None 0.886 0.764
document_5799 943.5240 943.5240 None 0.884 0.667
document_5798 943.5230 943.5230 None 0.884 0.709
document_5825 959.5180 959.5180 None 0.877 0.772
document_5767 913.5130 913.5130 None 0.874 0.637
document_5782 925.5130 925.5130 None 0.873 0.267
document_5766 913.5130 913.5130 None 0.857 0.776
document_5500 797.4620 797.4620 None 0.829 0.524
document_5801 943.5250 943.5250 None 0.776 0.696
document_5499 797.4660 797.4660 None 0.775 0.804
document_5683 859.6050 859.6050 None 0.263 0.082
document_1815 481.2590 481.2590 None 0.170 0.226
document_4898 727.3800 727.3800 None 0.139 0.229
document_3759 649.3090 649.3090 None 0.104 0.227
document_4127 683.4340 683.4340 None 0.089 0.082
document_4851 722.5000 722.5000 None 0.062 0.233
document_1954 490.3110 490.3110 None 0.062 0.192
document_4380 700.3880 700.3880 None 0.057 0.075
document_5832 962.4950 962.4950 None 0.056 0.454
document_5123 740.4100 740.4100 None 0.056 0.102
document_2263 507.2980 507.2980 None 0.055 0.227
document_2268 507.3110 507.3110 None 0.053 0.227
document_5769 915.4910 915.4910 None 0.053 0.209
document_5795 941.5070 941.5070 None 0.051 0.199

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.