Mass2Motif: motif_89

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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 0.9730044917223732. 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_147.0500 0.249
fragment_91.0500 0.215
loss_166.0500 0.114
fragment_98.9500 0.095
fragment_261.0500 0.089
fragment_170.9500 0.041
loss_184.0500 0.015
fragment_201.0500 0.014
fragment_182.9500 0.008
fragment_273.0500 0.008
fragment_144.9500 0.008
fragment_920.4500 0.007
fragment_262.0500 0.007
fragment_110.9500 0.006
loss_167.0500 0.006
fragment_142.9500 0.005
fragment_136.9500 0.005
fragment_299.0500 0.005
fragment_321.0500 0.004
loss_106.0500 0.004
loss_191.9500 0.004
loss_128.0500 0.003
fragment_198.5500 0.003
fragment_152.9500 0.003
fragment_159.5500 0.003
fragment_246.4500 0.003
loss_180.6500 0.003
loss_111.1500 0.003
fragment_286.9500 0.003
fragment_226.1500 0.003
fragment_921.4500 0.003
loss_143.9500 0.002
loss_112.9500 0.002
fragment_140.9500 0.002
loss_116.8500 0.002
fragment_719.4500 0.002
loss_194.0500 0.002
fragment_276.0500 0.002
loss_122.2500 0.002
fragment_181.0500 0.002
fragment_204.9500 0.002
loss_151.0500 0.002
fragment_833.4500 0.001
fragment_120.0500 0.001
loss_158.0500 0.001
fragment_197.1500 0.001
fragment_998.5500 0.001
fragment_203.0500 0.001
fragment_999.5500 0.001
loss_196.2500 0.001
loss_191.0500 0.001
fragment_269.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 77 100 100 0
Organooxygen compound 75 97.4 95.3 2.1
Organic nitrogen compound 38 49.4 55.6 6.3
Organonitrogen compound 35 45.5 54.1 8.7
Carbonyl group 32 41.6 44.0 2.5
Organopnictogen compound 29 37.7 45.2 7.6
Benzenoid 11 14.3 18.3 4.1
Azacycle 9 11.7 22.6 10.9
Alcohol 6 7.8 14.7 6.9
Amine 5 6.5 4.4 2.1
Organoheterocyclic compound 5 6.5 13.3 6.8
Secondary alcohol 5 6.5 7.7 1.2
Carboxamide group 3 3.9 5.5 1.6
Aromatic heteropolycyclic compound 2 2.6 9.6 7.0
Oxacycle 2 2.6 7.9 5.3
1-hydroxy-2-unsubstituted benzenoid 2 2.6 1.3 1.3
Heteroaromatic compound 1 1.3 5.8 4.5
Imidazole 1 1.3 0.0 1.3
Pyrimidine 1 1.3 0.0 1.3
Primary amine 1 1.3 0.5 0.8
Oxane 1 1.3 1.9 0.6
Polyol 1 1.3 1.6 0.3
Phenol 1 1.3 0.5 0.8
Aromatic homomonocyclic compound 1 1.3 0.1 1.2

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_722 427.0740 427.0740 None 0.853 0.377
document_726 427.0740 427.0740 None 0.822 0.292
document_2538 533.3360 533.3360 None 0.819 0.096
document_727 427.0740 427.0740 None 0.814 0.278
document_721 427.0740 427.0740 None 0.742 0.312
document_731 427.0740 427.0740 None 0.687 0.271
document_2537 533.3360 533.3360 None 0.670 0.096
document_723 427.0730 427.0730 None 0.636 0.230
document_725 427.0740 427.0740 None 0.573 0.350
document_3022 581.8120 581.8120 None 0.475 0.265
document_1911 487.3580 487.3580 None 0.342 0.222
document_866 431.1650 431.1650 None 0.340 0.264
document_2004 495.2690 495.2690 None 0.330 0.102
document_504 420.1530 420.1530 None 0.297 0.225
document_2082 498.6830 498.6830 None 0.283 0.218
document_94 401.3000 401.3000 None 0.244 0.218
document_4647 713.4450 713.4450 None 0.216 0.215
document_3108 590.3970 590.3970 None 0.197 0.464
document_2654 546.3990 546.3990 None 0.193 0.466
document_1028 432.2460 432.2460 None 0.183 0.095
document_1848 484.1960 484.1960 None 0.179 0.217
document_3293 608.3820 608.3820 None 0.178 0.249
document_2557 536.1640 536.1640 None 0.177 0.249
document_151 405.0160 405.0160 None 0.176 0.215
document_4700 716.4670 716.4670 None 0.171 0.215
document_1494 458.2980 458.2980 None 0.165 0.250
document_362 415.3450 415.3450 None 0.161 0.215
document_1152 437.2740 437.2740 None 0.142 0.213
document_1870 485.2900 485.2900 None 0.141 0.215
document_1482 458.2060 458.2060 None 0.135 0.248
document_353 414.7290 414.7290 None 0.131 0.249
document_2077 498.2670 498.2670 None 0.131 0.095
document_321 413.2390 413.2390 None 0.128 0.155
document_1736 474.3260 474.3260 None 0.127 0.252
document_1914 487.3580 487.3580 None 0.126 0.250
document_3826 659.2530 659.2530 None 0.122 0.249
document_2808 562.3780 562.3780 None 0.114 0.249
document_5795 941.5070 941.5070 None 0.113 0.249
document_1864 485.2880 485.2880 None 0.112 0.464
document_42 402.3110 402.3110 None 0.112 0.249
document_3429 620.4370 620.4370 None 0.111 0.249
document_2548 536.1930 536.1930 None 0.106 0.249
document_298 413.2150 413.2150 Massbank:CE000164 S,R-Noscapine 0.103 0.041
document_2744 555.2920 555.2920 None 0.102 0.095
document_702 425.9320 425.9320 None 0.101 0.249
document_1258 443.2290 443.2290 None 0.100 0.095
document_5026 735.3550 735.3550 None 0.099 0.183
document_1304 443.3310 443.3310 None 0.099 0.215
document_863 430.2100 430.2100 None 0.095 0.099
document_4135 684.2020 684.2020 None 0.093 0.249
document_1785 478.2330 478.2330 None 0.091 0.216
document_3613 638.2600 638.2600 None 0.088 0.304
document_1703 472.3120 472.3120 None 0.086 0.249
document_153 405.1150 405.1150 None 0.085 0.095
document_1098 435.2170 435.2170 None 0.083 0.341
document_1140 437.2310 437.2310 None 0.082 0.221
document_1682 470.2760 470.2760 None 0.082 0.464
document_3025 581.8140 581.8140 None 0.080 0.262
document_891 430.3880 430.3880 None 0.079 0.215
document_3210 598.3560 598.3560 None 0.072 0.250
document_2749 555.2930 555.2930 None 0.072 0.344
document_2513 531.3840 531.3840 None 0.067 0.215
document_730 427.0740 427.0740 None 0.065 0.126
document_2988 576.4100 576.4100 None 0.064 0.464
document_1547 463.0780 463.0780 None 0.062 0.311
document_2651 546.4000 546.4000 None 0.062 0.249
document_2583 540.3500 540.3500 None 0.061 0.249
document_5336 766.5040 766.5040 None 0.058 0.249
document_137 404.1330 404.1330 None 0.058 0.097
document_4066 680.2680 680.2680 None 0.058 0.215
document_1248 443.2020 443.2020 None 0.057 0.364
document_1561 463.2760 463.2760 None 0.056 0.249
document_4568 708.4870 708.4870 None 0.055 0.250
document_5352 766.5300 766.5300 None 0.052 0.214
document_2572 537.4880 537.4880 None 0.052 0.215
document_471 419.2660 419.2660 None 0.052 0.229
document_273 413.2210 413.2210 None 0.050 0.129

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.