Mass2Motif: motif_187

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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 0.9712940384778852. 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_80.9500 0.726
fragment_82.9500 0.040
fragment_194.1500 0.032
loss_198.6500 0.012
fragment_141.0500 0.010
fragment_150.9500 0.009
fragment_291.6500 0.009
loss_127.6500 0.009
fragment_140.8500 0.009
loss_192.0500 0.008
loss_142.1500 0.008
loss_98.2500 0.007
fragment_264.0500 0.006
loss_110.3500 0.006
fragment_310.8500 0.006
fragment_65.1500 0.006
fragment_165.1500 0.005
loss_125.1500 0.005
fragment_294.1500 0.005
fragment_57.0500 0.004
loss_111.6500 0.004
fragment_309.6500 0.004
fragment_157.9500 0.003
loss_42.6500 0.003
fragment_306.0500 0.003
fragment_216.0500 0.003
loss_69.0500 0.003
loss_172.6500 0.002
fragment_200.1500 0.002
fragment_71.0500 0.002
loss_151.7500 0.002
fragment_149.9500 0.002
loss_197.9500 0.002
fragment_311.0500 0.001
loss_108.9500 0.001
fragment_158.9500 0.001
fragment_210.4500 0.001
loss_180.8500 0.001
fragment_256.2500 0.001
loss_163.5500 0.001
loss_186.6500 0.001
fragment_52.9500 0.001
fragment_197.8500 0.001
loss_99.7500 0.001
loss_102.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 72 100 100 0
Organooxygen compound 70 97.2 95.3 1.9
Organic nitrogen compound 47 65.3 55.6 9.6
Organonitrogen compound 44 61.1 54.1 7.0
Organopnictogen compound 33 45.8 45.2 0.6
Benzenoid 28 38.9 18.3 20.5
Heteroaromatic compound 22 30.6 5.8 24.8
Azacycle 19 26.4 22.6 3.8
Aromatic heteropolycyclic compound 18 25 9.6 15.4
Carbonyl group 8 11.1 44.0 32.9
1-hydroxy-2-unsubstituted benzenoid 2 2.8 1.3 1.5
Aliphatic acyclic compound 1 1.4 2.9 1.5
Organoheterocyclic compound 1 1.4 13.3 11.9

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_473 419.3710 419.3710 None 0.447 0.823
document_475 419.2750 419.2750 None 0.408 0.077
document_444 418.8370 418.8370 None 0.395 0.740
document_4776 718.4760 718.4760 None 0.366 0.738
document_2742 555.1240 555.1240 None 0.360 0.767
document_487 420.0190 420.0190 None 0.327 0.765
document_478 419.2760 419.2760 None 0.321 0.808
document_440 419.7450 419.7450 None 0.312 0.746
document_489 419.2770 419.2770 None 0.290 0.774
document_574 421.2320 421.2320 None 0.277 0.033
document_484 419.2760 419.2760 None 0.276 0.759
document_602 421.2320 421.2320 None 0.271 0.787
document_439 419.0200 419.0200 None 0.267 0.755
document_479 419.2760 419.2760 None 0.234 0.755
document_521 420.6840 420.6840 None 0.217 0.737
document_486 419.2780 419.2780 None 0.206 0.735
document_5035 737.9450 737.9450 None 0.206 0.733
document_468 419.2760 419.2760 None 0.205 0.756
document_447 419.8130 419.8130 None 0.185 0.769
document_443 419.4060 419.4060 None 0.172 0.726
document_205 408.3070 408.3070 None 0.171 0.738
document_512 420.1640 420.1640 None 0.159 0.726
document_491 419.2770 419.2770 None 0.159 0.771
document_448 419.1520 419.1520 None 0.159 0.733
document_49 401.2470 401.2470 None 0.155 0.727
document_1938 489.6890 489.6890 None 0.148 0.736
document_449 419.3770 419.3770 None 0.137 0.736
document_481 419.2770 419.2770 None 0.135 0.733
document_493 419.2770 419.2770 None 0.132 0.735
document_476 419.2760 419.2760 None 0.132 0.738
document_631 421.2360 421.2360 None 0.131 0.726
document_1149 437.2420 437.2420 None 0.130 0.725
document_676 423.2350 423.2350 None 0.130 0.726
document_5589 819.5000 819.5000 None 0.128 0.730
document_4299 692.4740 692.4740 None 0.125 0.729
document_5055 738.3950 738.3950 None 0.120 0.726
document_1916 487.3640 487.3640 None 0.114 0.733
document_520 420.5740 420.5740 None 0.113 0.732
document_482 419.2770 419.2770 None 0.106 0.728
document_4559 706.5360 706.5360 None 0.106 0.730
document_4509 704.4870 704.4870 None 0.101 0.726
document_591 421.2350 421.2350 None 0.096 0.767
document_542 421.2300 421.2300 None 0.095 0.726
document_604 421.2320 421.2320 None 0.095 0.767
document_1896 486.4030 486.4030 None 0.094 0.726
document_637 421.2340 421.2340 None 0.093 0.764
document_544 421.2320 421.2320 None 0.092 0.729
document_4308 692.5180 692.5180 None 0.091 0.726
document_784 429.1790 429.1790 None 0.091 0.732
document_1147 437.2410 437.2410 None 0.091 0.728
document_630 421.2330 421.2330 None 0.088 0.744
document_441 419.2150 419.2150 None 0.088 0.779
document_505 419.2790 419.2790 None 0.082 0.726
document_506 419.2800 419.2800 None 0.081 0.082
document_1911 487.3580 487.3580 None 0.080 0.724
document_316 413.2320 413.2320 None 0.077 0.727
document_700 425.2270 425.2270 None 0.077 0.726
document_1721 473.6400 473.6400 None 0.074 0.725
document_652 421.2350 421.2350 None 0.073 0.763
document_1570 463.2800 463.2800 None 0.070 0.726
document_2159 499.2420 499.2420 None 0.069 0.726
document_2822 563.4650 563.4650 None 0.069 0.732
document_613 421.2330 421.2330 None 0.064 0.724
document_3318 611.4210 611.4210 None 0.064 0.726
document_474 419.2750 419.2750 None 0.060 0.723
document_617 421.2330 421.2330 None 0.059 0.725
document_193 407.2790 407.2790 None 0.059 0.727
document_2133 498.9010 498.9010 None 0.057 0.733
document_3163 595.3480 595.3480 None 0.055 0.726
document_627 421.2330 421.2330 None 0.054 0.726
document_568 421.2330 421.2330 None 0.054 0.725
document_3580 634.8770 634.8770 None 0.051 0.728

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.