Mass2Motif: motif_117

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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 0.9318543370912049. 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_136.0500 0.733
fragment_212.1500 0.026
loss_159.0500 0.018
fragment_579.4500 0.014
loss_177.0500 0.011
fragment_192.0500 0.011
fragment_566.4500 0.009
fragment_565.4500 0.008
fragment_108.0500 0.007
fragment_236.0500 0.005
fragment_821.5500 0.004
fragment_847.5500 0.004
loss_158.0500 0.004
fragment_56.0500 0.004
fragment_233.0500 0.004
fragment_72.0500 0.003
loss_159.6500 0.003
fragment_209.0500 0.003
fragment_323.2500 0.003
loss_171.6500 0.003
loss_194.0500 0.003
loss_181.9500 0.003
loss_176.0500 0.002
fragment_75.0500 0.002
fragment_882.0500 0.002
fragment_272.1500 0.002
fragment_823.1500 0.002
fragment_440.7500 0.002
fragment_822.5500 0.002
fragment_86.4500 0.002
fragment_358.8500 0.002
fragment_61.0500 0.002
loss_172.1500 0.002
fragment_197.1500 0.002
fragment_926.5500 0.002
fragment_70.0500 0.002
loss_79.5500 0.002
fragment_719.3500 0.002
fragment_793.5500 0.002
fragment_825.2500 0.001
fragment_712.5500 0.001
fragment_986.4500 0.001
loss_192.9500 0.001
fragment_241.1500 0.001
loss_87.0500 0.001
fragment_183.0500 0.001
fragment_266.1500 0.001
loss_40.1500 0.001
fragment_759.4500 0.001
fragment_779.6500 0.001
fragment_69.0500 0.001
loss_19.8500 0.001
loss_59.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 75 100 100 0
Organooxygen compound 73 97.3 95.3 2.0
Organic nitrogen compound 69 92 55.6 36.4
Organonitrogen compound 67 89.3 54.1 35.2
Organopnictogen compound 60 80 45.2 34.8
Azacycle 38 50.7 22.6 28.1
Carbonyl group 36 48 44.0 4.0
Aromatic heteropolycyclic compound 18 24 9.6 14.4
Heteroaromatic compound 14 18.7 5.8 12.9
Organoheterocyclic compound 13 17.3 13.3 4.0
Benzenoid 10 13.3 18.3 5.0
Amine 10 13.3 4.4 9.0
Carboxamide group 9 12 5.5 6.5
Alcohol 7 9.3 14.7 5.3
Oxacycle 6 8 7.9 0.1
Secondary alcohol 5 6.7 7.7 1.0
Glycosyl compound 2 2.7 0.7 1.9
Primary amine 1 1.3 0.5 0.9
Aromatic homomonocyclic compound 1 1.3 0.1 1.3
Aliphatic acyclic compound 1 1.3 2.9 1.6
1-hydroxy-2-unsubstituted benzenoid 1 1.3 1.3 0.1
Phenol 1 1.3 0.5 0.9

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_134 404.1330 404.1330 None 0.769 0.736
document_137 404.1330 404.1330 None 0.724 0.738
document_141 404.1330 404.1330 None 0.710 0.733
document_138 404.1330 404.1330 None 0.675 0.735
document_136 404.1330 404.1330 None 0.675 0.734
document_135 404.1320 404.1320 None 0.673 0.766
document_218 409.1950 409.1950 None 0.649 0.749
document_139 404.1310 404.1310 None 0.594 0.738
document_187 408.7760 408.7760 None 0.582 0.755
document_5510 799.5730 799.5730 None 0.552 0.781
document_142 404.1360 404.1360 None 0.542 0.739
document_140 404.1340 404.1340 None 0.511 0.754
document_2831 564.3370 564.3370 None 0.498 0.730
document_5502 798.9130 798.9130 None 0.468 0.773
document_201 408.2470 408.2470 None 0.451 0.756
document_1121 437.2220 437.2220 None 0.446 0.748
document_151 405.0160 405.0160 None 0.441 0.746
document_4834 720.5170 720.5170 None 0.420 0.034
document_682 424.1980 424.1980 None 0.345 0.779
document_2290 510.3120 510.3120 None 0.318 0.732
document_227 410.2150 410.2150 None 0.312 0.735
document_450 419.0340 419.0340 None 0.308 0.745
document_1640 467.8060 467.8060 None 0.281 0.009
document_675 423.2110 423.2110 None 0.275 0.746
document_228 410.2170 410.2170 None 0.270 0.732
document_2560 537.2230 537.2230 None 0.256 0.729
document_246 413.1440 413.1440 None 0.241 0.730
document_902 430.7190 430.7190 None 0.207 0.739
document_1453 457.2120 457.2120 None 0.200 0.734
document_2807 563.1670 563.1670 None 0.186 0.743
document_2335 513.2750 513.2750 None 0.181 0.734
document_1119 437.1920 437.1920 None 0.175 0.734
document_1413 456.2160 456.2160 None 0.169 0.069
document_258 413.1790 413.1790 None 0.169 0.733
document_1752 475.3520 475.3520 None 0.130 0.732
document_1122 437.2230 437.2230 None 0.129 0.746
document_2354 515.2500 515.2500 None 0.127 0.736
document_2223 507.5400 507.5400 None 0.126 0.738
document_1981 493.2540 493.2540 None 0.123 0.734
document_4906 727.4000 727.4000 None 0.116 0.036
document_46 401.2470 401.2470 None 0.104 0.736
document_1144 437.2360 437.2360 None 0.101 0.738
document_180 407.8670 407.8670 None 0.100 0.739
document_80 401.2740 401.2740 None 0.097 0.737
document_903 430.7190 430.7190 None 0.096 0.732
document_1648 468.3060 468.3060 None 0.092 0.734
document_1758 476.5910 476.5910 None 0.090 0.738
document_3132 591.2460 591.2460 None 0.090 0.737
document_489 419.2770 419.2770 None 0.089 0.733
document_5417 774.6790 774.6790 None 0.088 0.733
document_2716 553.2530 553.2530 None 0.088 0.737
document_1351 448.2550 448.2550 None 0.087 0.737
document_3121 590.4180 590.4180 None 0.084 0.733
document_2233 506.5770 506.5770 None 0.080 0.728
document_1387 451.2460 451.2460 None 0.080 0.749
document_3775 651.3190 651.3190 None 0.079 0.737
document_1633 467.2180 467.2180 None 0.079 0.734
document_1247 443.2020 443.2020 None 0.078 0.736
document_1890 486.2840 486.2840 None 0.072 0.733
document_3313 610.3240 610.3240 None 0.072 0.742
document_1779 477.3210 477.3210 None 0.070 0.733
document_1161 439.2640 439.2640 None 0.066 0.026
document_2204 504.2670 504.2670 None 0.065 0.740
document_3976 676.4890 676.4890 None 0.063 0.729
document_395 415.2570 415.2570 None 0.061 0.736
document_1828 482.1830 482.1830 None 0.061 0.731
document_1258 443.2290 443.2290 None 0.060 0.040
document_2400 521.2610 521.2610 None 0.060 0.734
document_539 422.3810 422.3810 None 0.059 0.734
document_1944 489.3650 489.3650 None 0.059 0.725
document_2065 498.1770 498.1770 None 0.057 0.733
document_834 430.1070 430.1070 None 0.057 0.736
document_5435 780.3300 780.3300 None 0.054 0.771
document_3776 651.4690 651.4690 None 0.052 0.733
document_1556 463.2540 463.2540 None 0.051 0.737

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.