Mass2Motif: motif_14

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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 0.9613626787791799. 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_301.0500 0.204
fragment_225.1500 0.175
loss_184.1500 0.163
fragment_417.1500 0.083
fragment_780.4500 0.024
fragment_302.0500 0.023
fragment_291.1500 0.023
loss_156.0500 0.016
fragment_284.1500 0.015
fragment_403.2500 0.015
fragment_303.0500 0.013
fragment_233.0500 0.011
fragment_752.4500 0.011
fragment_431.2500 0.010
fragment_781.4500 0.009
loss_183.1500 0.009
loss_166.1500 0.009
fragment_323.0500 0.008
fragment_969.3500 0.008
fragment_143.1500 0.006
fragment_876.9500 0.005
fragment_418.2500 0.005
fragment_667.3500 0.005
fragment_418.1500 0.004
fragment_753.4500 0.004
loss_63.6500 0.004
loss_95.0500 0.004
fragment_735.0500 0.004
fragment_384.2500 0.003
loss_164.0500 0.003
fragment_427.2500 0.003
loss_191.0500 0.003
loss_130.4500 0.003
fragment_132.3500 0.003
fragment_96.9500 0.003
fragment_760.7500 0.003
fragment_972.7500 0.003
fragment_332.1500 0.003
fragment_399.2500 0.002
fragment_509.0500 0.002
loss_68.4500 0.002
fragment_542.0500 0.002
loss_35.4500 0.002
loss_116.0500 0.002
loss_51.4500 0.002
fragment_155.1500 0.002
fragment_439.2500 0.002
loss_177.0500 0.002
fragment_506.1500 0.002
fragment_875.4500 0.002
loss_168.4500 0.002
fragment_630.2500 0.002
fragment_172.9500 0.002
fragment_304.0500 0.002
fragment_371.2500 0.002
loss_196.6500 0.002
fragment_754.4500 0.001
fragment_261.0500 0.001
loss_46.9500 0.001
fragment_510.7500 0.001
fragment_419.1500 0.001
loss_144.7500 0.001
fragment_412.9500 0.001
fragment_87.9500 0.001
fragment_325.2500 0.001
fragment_256.1500 0.001
fragment_194.0500 0.001
fragment_467.7500 0.001
loss_89.9500 0.001
fragment_400.1500 0.001
fragment_634.9500 0.001
loss_45.6500 0.001
fragment_512.0500 0.001
loss_123.5500 0.001
fragment_329.6500 0.001
fragment_451.2500 0.001
loss_106.4500 0.001
loss_54.4500 0.001
loss_173.5500 0.001
loss_157.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 65 100 100 0
Organooxygen compound 64 98.5 95.3 3.1
Organic nitrogen compound 39 60 55.6 4.4
Carbonyl group 36 55.4 44.0 11.4
Organonitrogen compound 35 53.8 54.1 0.3
Organopnictogen compound 30 46.2 45.2 0.9
Azacycle 20 30.8 22.6 8.2
Organoheterocyclic compound 12 18.5 13.3 5.1
Benzenoid 11 16.9 18.3 1.4
Aromatic heteropolycyclic compound 8 12.3 9.6 2.7
Alcohol 7 10.8 14.7 3.9
Carboxamide group 6 9.2 5.5 3.8
Oxacycle 5 7.7 7.9 0.2
Amine 3 4.6 4.4 0.2
Heteroaromatic compound 2 3.1 5.8 2.7
Aliphatic acyclic compound 2 3.1 2.9 0.1
Secondary alcohol 2 3.1 7.7 4.6
Carboxylic acid ester 1 1.5 1.8 0.3
Primary alcohol 1 1.5 0.9 0.7

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_5678 856.0210 856.0210 None 0.859 0.239
document_2976 576.1500 576.1500 None 0.850 0.226
document_5699 870.0110 870.0110 None 0.809 0.239
document_2999 577.4810 577.4810 None 0.806 0.227
document_2998 579.0170 579.0170 None 0.740 0.228
document_2957 573.2900 573.2900 None 0.705 0.105
document_5503 798.7600 798.7600 None 0.654 0.066
document_729 427.1850 427.1850 None 0.638 0.358
document_3000 577.4810 577.4810 None 0.542 0.236
document_1399 453.1380 453.1380 None 0.445 0.109
document_1149 437.2420 437.2420 None 0.431 0.192
document_2733 554.2780 554.2780 None 0.420 0.141
document_2663 548.2980 548.2980 None 0.381 0.233
document_2766 557.6970 557.6970 None 0.324 0.035
document_3037 583.3440 583.3440 None 0.317 0.173
document_2329 512.7820 512.7820 None 0.316 0.083
document_2795 562.2700 562.2700 None 0.295 0.042
document_1076 435.2040 435.2040 None 0.246 0.419
document_193 407.2790 407.2790 None 0.227 0.200
document_4372 699.3410 699.3410 None 0.208 0.233
document_4992 733.1670 733.1670 None 0.204 0.239
document_1464 457.3020 457.3020 None 0.175 0.175
document_5760 911.5080 911.5080 None 0.164 0.038
document_3752 647.3600 647.3600 None 0.159 0.190
document_1165 439.2890 439.2890 None 0.158 0.175
document_237 411.2570 411.2570 None 0.156 0.171
document_3145 593.1730 593.1730 None 0.156 0.247
document_2479 530.1900 530.1900 None 0.153 0.113
document_2299 511.2020 511.2020 None 0.146 0.215
document_1322 445.2680 445.2680 None 0.143 0.175
document_3861 663.3110 663.3110 None 0.138 0.171
document_402 415.2880 415.2880 None 0.126 0.192
document_1031 433.2670 433.2670 None 0.121 0.171
document_1578 463.2920 463.2920 None 0.112 0.171
document_2203 503.3830 503.3830 None 0.109 0.338
document_3747 647.3550 647.3550 None 0.101 0.190
document_1342 447.2580 447.2580 None 0.100 0.163
document_1847 484.1660 484.1660 None 0.095 0.185
document_2036 497.1970 497.1970 None 0.094 0.208
document_3360 613.3540 613.3540 None 0.094 0.184
document_3065 585.3230 585.3230 None 0.093 0.091
document_5359 768.4580 768.4580 None 0.086 0.084
document_400 415.2870 415.2870 None 0.085 0.163
document_219 409.2550 409.2550 None 0.082 0.347
document_4058 679.3990 679.3990 None 0.081 0.083
document_1675 470.1590 470.1590 None 0.077 0.163
document_3383 615.3300 615.3300 None 0.077 0.190
document_1075 434.7980 434.7980 None 0.073 0.204
document_2493 529.2930 529.2930 None 0.073 0.175
document_3172 595.2870 595.2870 None 0.073 0.204
document_2206 504.2790 504.2790 None 0.071 0.171
document_3338 613.2470 613.2470 None 0.071 0.217
document_1664 469.1830 469.1830 None 0.070 0.166
document_1823 482.1820 482.1820 None 0.068 0.204
document_2666 548.3400 548.3400 None 0.066 0.190
document_1339 448.2320 448.2320 None 0.065 0.181
document_1326 445.7460 445.7460 None 0.061 0.204
document_1528 461.2590 461.2590 None 0.059 0.175
document_1352 449.2410 449.2410 None 0.058 0.175
document_3519 632.1850 632.1850 None 0.055 0.137
document_1035 432.2780 432.2780 None 0.054 0.205
document_3809 657.0720 657.0720 None 0.052 0.204
document_84 401.2850 401.2850 None 0.051 0.175
document_3066 585.3220 585.3220 None 0.051 0.175
document_2944 571.2740 571.2740 None 0.050 0.106

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.