Mass2Motif: motif_236

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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 0.9364811898113196. 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_279.1500 0.204
fragment_110.0500 0.157
fragment_210.1500 0.148
fragment_238.1500 0.069
fragment_124.0500 0.057
fragment_393.1500 0.041
loss_187.1500 0.032
fragment_392.1500 0.018
fragment_365.2500 0.015
fragment_178.1500 0.014
fragment_224.0500 0.011
fragment_280.1500 0.010
fragment_180.1500 0.009
loss_171.6500 0.007
fragment_279.0500 0.007
fragment_211.1500 0.007
fragment_225.0500 0.006
fragment_917.8500 0.006
fragment_196.0500 0.005
loss_136.4500 0.005
fragment_85.9500 0.005
fragment_71.5500 0.004
fragment_291.1500 0.004
fragment_320.8500 0.004
fragment_227.2500 0.004
loss_165.1500 0.004
fragment_198.1500 0.004
fragment_539.2500 0.004
fragment_475.3500 0.004
loss_169.6500 0.004
fragment_167.0500 0.004
loss_158.0500 0.003
fragment_267.9500 0.003
fragment_960.1500 0.003
fragment_131.2500 0.003
fragment_209.1500 0.002
fragment_918.1500 0.002
fragment_917.4500 0.002
loss_66.2500 0.002
fragment_376.2500 0.002
loss_22.9500 0.002
fragment_496.2500 0.002
loss_170.6500 0.002
fragment_762.4500 0.002
fragment_756.1500 0.002
loss_29.1500 0.002
loss_164.0500 0.002
fragment_182.1500 0.002
fragment_540.2500 0.002
fragment_440.4500 0.002
fragment_252.1500 0.002
fragment_135.7500 0.002
loss_29.5500 0.001
fragment_303.2500 0.001
loss_155.6500 0.001
fragment_864.3500 0.001
fragment_395.1500 0.001
loss_113.1500 0.001
fragment_292.8500 0.001
fragment_609.0500 0.001
loss_95.3500 0.001
loss_68.1500 0.001
fragment_706.8500 0.001
loss_78.4500 0.001
fragment_168.0500 0.001
fragment_841.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 69 100 100 0
Organooxygen compound 68 98.6 95.3 3.2
Organic nitrogen compound 56 81.2 55.6 25.5
Organonitrogen compound 55 79.7 54.1 25.6
Organopnictogen compound 45 65.2 45.2 20.0
Carbonyl group 37 53.6 44.0 9.6
Azacycle 34 49.3 22.6 26.7
Organoheterocyclic compound 10 14.5 13.3 1.2
Amine 10 14.5 4.4 10.1
Benzenoid 9 13.0 18.3 5.3
Heteroaromatic compound 8 11.6 5.8 5.8
Aromatic heteropolycyclic compound 8 11.6 9.6 1.9
Carboxamide group 7 10.1 5.5 4.7
Alcohol 6 8.7 14.7 6.0
Oxacycle 6 8.7 7.9 0.8
Secondary alcohol 1 1.4 7.7 6.3

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_1533 461.3370 461.3370 None 0.833 0.259
document_1939 489.3660 489.3660 None 0.829 0.263
document_1534 461.3370 461.3370 None 0.790 0.166
document_1405 453.3680 453.3680 None 0.776 0.170
document_1532 461.3340 461.3340 None 0.755 0.190
document_2377 517.3910 517.3910 None 0.709 0.218
document_1886 486.2030 486.2030 None 0.694 0.217
document_3856 662.4740 662.4740 None 0.671 0.109
document_4499 704.3310 704.3310 None 0.631 0.087
document_1887 486.2030 486.2030 None 0.630 0.221
document_1940 489.8820 489.8820 None 0.618 0.174
document_3855 662.4670 662.4670 None 0.570 0.140
document_2225 505.3630 505.3630 None 0.551 0.215
document_2224 505.3620 505.3620 None 0.533 0.195
document_2199 503.3460 503.3460 None 0.493 0.189
document_5459 785.3090 785.3090 None 0.493 0.025
document_3486 628.4520 628.4520 None 0.390 0.069
document_1463 457.3040 457.3040 None 0.367 0.057
document_3293 608.3820 608.3820 None 0.324 0.173
document_3131 591.2060 591.2060 None 0.320 0.213
document_1397 452.4240 452.4240 None 0.302 0.171
document_2265 507.2840 507.2840 None 0.288 0.219
document_3857 662.4740 662.4740 None 0.283 0.105
document_1362 449.3240 449.3240 None 0.277 0.180
document_1396 452.4250 452.4250 None 0.266 0.171
document_2400 521.2610 521.2610 None 0.265 0.211
document_5233 746.9650 746.9650 None 0.262 0.150
document_3738 645.8780 645.8780 None 0.252 0.214
document_3976 676.4890 676.4890 None 0.248 0.073
document_2222 505.3370 505.3370 None 0.240 0.221
document_2666 548.3400 548.3400 None 0.226 0.218
document_1191 440.7300 440.7300 None 0.209 0.158
document_3195 596.3120 596.3120 None 0.198 0.216
document_1404 453.2230 453.2230 None 0.194 0.041
document_1395 452.4250 452.4250 None 0.179 0.157
document_1144 437.2360 437.2360 None 0.178 0.168
document_1849 484.2290 484.2290 None 0.177 0.215
document_1142 437.2340 437.2340 None 0.164 0.157
document_2443 525.3070 525.3070 None 0.164 0.210
document_1964 491.3220 491.3220 None 0.152 0.219
document_1777 477.3050 477.3050 None 0.149 0.215
document_3338 613.2470 613.2470 None 0.134 0.204
document_3526 633.3220 633.3220 None 0.125 0.061
document_1944 489.3650 489.3650 None 0.123 0.223
document_1393 452.4240 452.4240 None 0.120 0.171
document_3290 608.2930 608.2930 None 0.119 0.157
document_1578 463.2920 463.2920 None 0.113 0.214
document_1895 486.4030 486.4030 None 0.107 0.148
document_1607 465.2400 465.2400 None 0.105 0.157
document_3026 584.2700 584.2700 None 0.096 0.157
document_398 415.2820 415.2820 None 0.093 0.148
document_2219 505.2680 505.2680 None 0.089 0.222
document_316 413.2320 413.2320 None 0.087 0.204
document_1991 494.2350 494.2350 None 0.086 0.073
document_4096 683.3760 683.3760 None 0.081 0.156
document_4880 726.2570 726.2570 None 0.080 0.041
document_3451 625.3120 625.3120 None 0.080 0.202
document_5688 862.6410 862.6410 None 0.079 0.156
document_409 416.1930 416.1930 None 0.076 0.213
document_1758 476.5910 476.5910 None 0.075 0.215
document_681 423.7050 423.7050 None 0.074 0.169
document_3093 588.3740 588.3740 None 0.073 0.213
document_4084 681.5010 681.5010 None 0.067 0.216
document_2340 513.2930 513.2930 None 0.066 0.204
document_2299 511.2020 511.2020 None 0.063 0.041
document_142 404.1360 404.1360 None 0.063 0.154
document_1384 451.2160 451.2160 None 0.058 0.204
document_1535 461.7260 461.7260 None 0.054 0.156
document_2408 521.3580 521.3580 None 0.052 0.353

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.