Mass2Motif: motif_196

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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: Streptomyces related Mass2Motif

Short Annotation: Streptomyces related Mass2Motif

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 0.9494823673631563. 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_299.2500 0.322
fragment_539.4500 0.171
fragment_540.4500 0.093
fragment_300.2500 0.052
fragment_62.0500 0.025
fragment_301.2500 0.021
loss_45.0500 0.019
fragment_554.2500 0.017
fragment_469.1500 0.017
fragment_541.4500 0.013
fragment_75.0500 0.013
loss_197.0500 0.012
loss_130.1500 0.011
fragment_71.0500 0.010
loss_158.1500 0.009
fragment_441.1500 0.009
fragment_555.2500 0.008
loss_44.0500 0.008
loss_108.1500 0.006
fragment_491.1500 0.006
fragment_243.2500 0.005
fragment_98.9500 0.004
loss_138.0500 0.004
fragment_461.2500 0.004
fragment_85.1500 0.003
fragment_85.0500 0.003
fragment_155.0500 0.003
fragment_355.2500 0.003
fragment_97.1500 0.003
fragment_496.5500 0.003
loss_102.7500 0.003
fragment_189.1500 0.003
fragment_287.1500 0.003
fragment_150.0500 0.003
fragment_372.1500 0.003
fragment_132.1500 0.003
fragment_556.2500 0.002
fragment_279.5500 0.002
fragment_169.0500 0.002
fragment_544.1500 0.002
loss_55.1500 0.002
fragment_236.9500 0.002
fragment_398.1500 0.002
fragment_269.2500 0.002
fragment_139.1500 0.002
fragment_373.2500 0.002
fragment_362.3500 0.002
loss_99.9500 0.002
fragment_587.4500 0.002
fragment_96.0500 0.002
fragment_398.8500 0.002
fragment_318.8500 0.002
loss_123.3500 0.002
fragment_183.2500 0.002
loss_120.2500 0.002
loss_139.5500 0.002
fragment_239.2500 0.001
fragment_83.0500 0.001
fragment_184.9500 0.001
fragment_309.1500 0.001
fragment_268.2500 0.001
fragment_238.0500 0.001
fragment_388.7500 0.001
fragment_455.2500 0.001
loss_171.0500 0.001
fragment_125.0500 0.001
fragment_123.1500 0.001
loss_189.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 35 100 100 0
Organooxygen compound 32 91.4 95.3 3.9
Alcohol 10 28.6 14.7 13.9
Organoheterocyclic compound 9 25.7 13.3 12.4
Secondary alcohol 7 20 7.7 12.3
Carbonyl group 6 17.1 44.0 26.9
Oxacycle 6 17.1 7.9 9.2
Aromatic heteropolycyclic compound 6 17.1 9.6 7.5
Organonitrogen compound 5 14.3 54.1 39.8
Polyol 4 11.4 1.6 9.8
Benzenoid 4 11.4 18.3 6.9
Oxane 4 11.4 1.9 9.5
Heteroaromatic compound 4 11.4 5.8 5.7
Organic nitrogen compound 3 8.6 55.6 47.1
Organopnictogen compound 3 8.6 45.2 36.7
O-glycosyl compound 3 8.6 1.2 7.4
Acetal 2 5.7 1.5 4.3
1-hydroxy-2-unsubstituted benzenoid 1 2.9 1.3 1.6
1-hydroxy-4-unsubstituted benzenoid 1 2.9 0.2 2.6
Glycosyl compound 1 2.9 0.7 2.1

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_3216 599.3030 599.3030 None 0.809 0.144
document_4075 680.4860 680.4860 None 0.542 0.293
document_4076 680.4870 680.4870 None 0.535 0.274
document_4077 680.4860 680.4860 None 0.500 0.279
document_1178 440.2760 440.2760 None 0.495 0.438
document_4072 680.4860 680.4860 None 0.491 0.294
document_1179 440.2750 440.2750 None 0.485 0.427
document_1176 440.2760 440.2760 None 0.477 0.441
document_1183 440.2900 440.2900 None 0.476 0.405
document_1241 442.2540 442.2540 None 0.473 0.074
document_4073 680.4860 680.4860 None 0.471 0.632
document_4074 680.4860 680.4860 None 0.465 0.622
document_1181 440.3100 440.3100 None 0.465 0.409
document_1177 440.2770 440.2770 None 0.460 0.427
document_4062 680.3300 680.3300 None 0.444 0.277
document_1184 440.2770 440.2770 None 0.442 0.333
document_1122 437.2230 437.2230 None 0.432 0.371
document_4346 694.5010 694.5010 None 0.428 0.283
document_1182 440.2770 440.2770 None 0.401 0.378
document_1187 440.2780 440.2780 None 0.399 0.406
document_1120 437.2230 437.2230 None 0.384 0.334
document_1127 437.2360 437.2360 None 0.373 0.326
document_1542 462.2590 462.2590 None 0.347 0.397
document_2953 572.5300 572.5300 None 0.265 0.652
document_1446 456.2700 456.2700 None 0.152 0.046
document_2997 577.4820 577.4820 None 0.114 0.333
document_1541 462.2600 462.2600 None 0.113 0.396
document_4342 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.097 0.277
document_1459 458.3830 458.3830 None 0.095 0.322
document_2998 579.0170 579.0170 None 0.082 0.375
document_2821 564.1370 564.1370 None 0.074 0.322
document_4339 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.071 0.271
document_4344 694.5010 694.5010 None 0.062 0.174
document_3703 642.5090 642.5090 None 0.055 0.327
document_3163 595.3480 595.3480 None 0.054 0.021

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.