Mass2Motif: motif_163

Return to experiment crusemann

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 0.9652570761226508. 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_203.0500 0.777
loss_156.2500 0.026
loss_99.9500 0.024
loss_98.7500 0.023
fragment_146.9500 0.018
loss_155.7500 0.013
loss_25.6500 0.011
loss_71.6500 0.008
loss_99.1500 0.006
loss_198.8500 0.006
loss_130.7500 0.005
fragment_122.9500 0.005
loss_127.7500 0.004
fragment_348.1500 0.004
loss_98.9500 0.004
loss_169.2500 0.003
fragment_868.4500 0.003
fragment_333.0500 0.003
loss_86.7500 0.003
fragment_889.4500 0.003
fragment_385.2500 0.002
loss_70.2500 0.002
loss_79.2500 0.002
fragment_294.1500 0.002
fragment_297.0500 0.002
loss_122.7500 0.002
loss_125.7500 0.001
loss_136.7500 0.001
loss_173.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 68 100 100 0
Organooxygen compound 64 94.1 95.3 1.2
Organic nitrogen compound 28 41.2 55.6 14.5
Organonitrogen compound 26 38.2 54.1 15.9
Benzenoid 19 27.9 18.3 9.6
Organopnictogen compound 16 23.5 45.2 21.7
Carbonyl group 9 13.2 44.0 30.8
Heteroaromatic compound 7 10.3 5.8 4.5
Aromatic heteropolycyclic compound 7 10.3 9.6 0.6
Azacycle 5 7.4 22.6 15.3
Organoheterocyclic compound 4 5.9 13.3 7.4
Alcohol 2 2.9 14.7 11.7
Oxacycle 2 2.9 7.9 5.0
Carboxylic acid ester 1 1.5 1.8 0.3
Secondary alcohol 1 1.5 7.7 6.2
Amine 1 1.5 4.4 2.9

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_5916 1202.2460 1202.2460 None 0.865 0.083
document_501 419.8630 419.8630 None 0.541 0.074
document_432 421.0950 421.0950 None 0.365 0.816
document_5519 803.3960 803.3960 None 0.239 0.776
document_5465 787.3770 787.3770 None 0.227 0.777
document_304 413.2150 413.2150 None 0.182 0.775
document_601 421.2330 421.2330 None 0.177 0.806
document_574 421.2320 421.2320 None 0.164 0.792
document_3379 614.2690 614.2690 None 0.152 0.776
document_641 421.2340 421.2340 None 0.146 0.795
document_614 421.2330 421.2330 None 0.136 0.795
document_5658 844.3250 844.3250 None 0.131 0.776
document_620 421.2320 421.2320 None 0.130 0.795
document_448 419.1520 419.1520 None 0.130 0.796
document_615 421.2330 421.2330 None 0.127 0.795
document_1914 487.3580 487.3580 None 0.121 0.775
document_5592 819.5000 819.5000 None 0.120 0.777
document_588 421.2320 421.2320 None 0.119 0.795
document_309 413.2250 413.2250 None 0.108 0.777
document_2498 530.2430 530.2430 None 0.106 0.777
document_559 421.2330 421.2330 None 0.103 0.795
document_445 420.8080 420.8080 None 0.099 0.789
document_5584 819.5000 819.5000 None 0.099 0.777
document_647 421.2340 421.2340 None 0.092 0.792
document_617 421.2330 421.2330 None 0.090 0.790
document_567 421.2320 421.2320 None 0.090 0.795
document_5580 819.4990 819.4990 None 0.086 0.777
document_570 421.2350 421.2350 None 0.084 0.793
document_563 421.2310 421.2310 None 0.076 0.795
document_586 421.2320 421.2320 None 0.074 0.795
document_5587 819.5000 819.5000 None 0.073 0.777
document_1125 437.2230 437.2230 None 0.072 0.795
document_547 421.2300 421.2300 None 0.071 0.795
document_5591 819.5000 819.5000 None 0.071 0.777
document_236 411.1570 411.1570 None 0.067 0.776
document_5590 819.5000 819.5000 None 0.067 0.776
document_576 421.2320 421.2320 None 0.066 0.795
document_447 419.8130 419.8130 None 0.066 0.795
document_571 421.2320 421.2320 None 0.064 0.796
document_632 421.2330 421.2330 None 0.063 0.795
document_629 421.2360 421.2360 None 0.063 0.793
document_572 421.2320 421.2320 None 0.060 0.795
document_1091 435.2110 435.2110 None 0.060 0.795
document_499 419.2780 419.2780 None 0.060 0.797
document_325 413.2340 413.2340 None 0.060 0.777
document_1105 435.2140 435.2140 None 0.059 0.777
document_581 421.2320 421.2320 None 0.059 0.795
document_988 430.9140 430.9140 None 0.058 0.777
document_551 421.2340 421.2340 None 0.057 0.795
document_540 421.2320 421.2320 None 0.057 0.795
document_585 421.2320 421.2320 None 0.057 0.795
document_722 427.0740 427.0740 None 0.056 0.776
document_429 419.2110 419.2110 None 0.056 0.795
document_932 430.9110 430.9110 None 0.056 0.777
document_605 421.2340 421.2340 None 0.055 0.795
document_626 421.2340 421.2340 None 0.055 0.787
document_596 421.2320 421.2320 None 0.055 0.795
document_291 413.2310 413.2310 None 0.055 0.777
document_518 421.0110 421.0110 None 0.054 0.795
document_5565 819.4680 819.4680 None 0.054 0.795
document_558 421.2320 421.2320 None 0.053 0.795
document_495 421.2180 421.2180 None 0.053 0.795
document_598 421.2320 421.2320 None 0.052 0.795
document_600 421.2330 421.2330 None 0.052 0.795
document_554 421.2320 421.2320 None 0.050 0.795
document_1084 435.2110 435.2110 None 0.050 0.795
document_597 421.2320 421.2320 None 0.050 0.795
document_555 421.2320 421.2320 None 0.050 0.795

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.