Mass2Motif: motif_204

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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 0.9587379217993045. 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_421.2500 0.509
fragment_422.2500 0.087
fragment_289.1500 0.048
loss_134.0500 0.048
loss_66.1500 0.047
loss_66.0500 0.046
loss_65.1500 0.023
fragment_321.1500 0.020
loss_67.6500 0.015
loss_67.0500 0.013
fragment_423.2500 0.009
fragment_729.3500 0.008
fragment_114.5500 0.006
loss_166.2500 0.005
fragment_290.1500 0.005
loss_110.1500 0.004
fragment_233.0500 0.004
fragment_347.2500 0.004
fragment_146.9500 0.004
fragment_556.8500 0.004
fragment_419.7500 0.003
fragment_116.9500 0.003
fragment_170.0500 0.003
loss_57.9500 0.002
fragment_369.8500 0.002
fragment_88.1500 0.002
fragment_429.4500 0.002
fragment_291.1500 0.002
loss_198.3500 0.002
fragment_288.9500 0.002
fragment_347.0500 0.002
fragment_226.9500 0.002
fragment_125.1500 0.002
fragment_343.2500 0.002
fragment_192.0500 0.002
fragment_127.1500 0.002
fragment_398.2500 0.002
loss_89.0500 0.002
loss_167.1500 0.001
fragment_421.4500 0.001
loss_166.1500 0.001
fragment_231.1500 0.001
loss_143.1500 0.001
fragment_344.2500 0.001
loss_177.2500 0.001
loss_74.0500 0.001
fragment_421.7500 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 59 90.8 95.3 4.6
Benzenoid 24 36.9 18.3 18.6
Organic nitrogen compound 23 35.4 55.6 20.2
Organonitrogen compound 22 33.8 54.1 20.3
Carbonyl group 13 20 44.0 24.0
Organopnictogen compound 12 18.5 45.2 26.8
Azacycle 9 13.8 22.6 8.8
Aromatic heteropolycyclic compound 8 12.3 9.6 2.7
Oxacycle 5 7.7 7.9 0.2
Organoheterocyclic compound 4 6.2 13.3 7.2
Alcohol 3 4.6 14.7 10.0
Secondary alcohol 3 4.6 7.7 3.1
Amine 2 3.1 4.4 1.3
1-hydroxy-2-unsubstituted benzenoid 2 3.1 1.3 1.8
Phenol 1 1.5 0.5 1.1
Heteroaromatic compound 1 1.5 5.8 4.2
Aliphatic acyclic compound 1 1.5 2.9 1.4

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_5567 819.4750 819.4750 None 0.999 0.612
document_5566 819.4760 819.4760 None 0.998 0.681
document_5570 819.4820 819.4820 None 0.995 0.608
document_5555 815.5100 815.5100 None 0.992 0.691
document_5568 819.4740 819.4740 None 0.964 0.609
document_5318 763.3450 763.3450 None 0.938 0.633
document_2751 555.3180 555.3180 None 0.937 0.084
document_4737 716.4820 716.4820 None 0.930 0.632
document_5569 819.4740 819.4740 None 0.922 0.627
document_5327 763.3770 763.3770 None 0.921 0.627
document_1917 488.8920 488.8920 None 0.842 0.551
document_4787 718.5010 718.5010 None 0.840 0.631
document_1910 487.3570 487.3570 None 0.757 0.709
document_1912 487.3570 487.3570 None 0.723 0.703
document_1876 488.3390 488.3390 None 0.678 0.695
document_5571 819.4790 819.4790 None 0.667 0.644
document_1883 487.2830 487.2830 None 0.659 0.670
document_5556 815.5130 815.5130 None 0.592 0.547
document_5572 819.4800 819.4800 None 0.566 0.622
document_2740 555.6530 555.6530 None 0.527 0.148
document_1915 487.3630 487.3630 None 0.524 0.674
document_1879 488.9780 488.9780 None 0.438 0.632
document_1918 487.3580 487.3580 None 0.400 0.690
document_5681 859.5370 859.5370 None 0.393 0.537
document_2945 571.3240 571.3240 None 0.363 0.605
document_5554 816.3570 816.3570 None 0.349 0.622
document_2935 571.3620 571.3620 None 0.348 0.677
document_2940 571.3220 571.3220 None 0.347 0.677
document_1354 449.1850 449.1850 None 0.314 0.048
document_162 405.2930 405.2930 None 0.298 0.063
document_5308 759.4810 759.4810 None 0.280 0.607
document_1881 485.7370 485.7370 None 0.266 0.513
document_2446 525.3490 525.3490 None 0.265 0.520
document_1878 486.2730 486.2730 None 0.253 0.602
document_2444 525.3430 525.3430 None 0.197 0.601
document_4821 718.5320 718.5320 None 0.192 0.605
document_526 421.1350 421.1350 None 0.182 0.048
document_5682 859.5370 859.5370 None 0.179 0.565
document_4060 679.4340 679.4340 None 0.175 0.120
document_4061 679.4380 679.4380 None 0.172 0.052
document_1877 485.3760 485.3760 None 0.159 0.513
document_1911 487.3580 487.3580 None 0.155 0.559
document_1865 485.2890 485.2890 None 0.140 0.596
document_3627 639.3010 639.3010 None 0.128 0.509
document_1880 485.3760 485.3760 None 0.125 0.511
document_1572 463.2790 463.2790 None 0.119 0.094
document_4613 711.4830 711.4830 None 0.116 0.596
document_2496 529.4040 529.4040 None 0.114 0.509
document_2395 520.4220 520.4220 None 0.111 0.596
document_3666 639.4070 639.4070 None 0.109 0.511
document_2513 531.3840 531.3840 None 0.107 0.515
document_677 423.2480 423.2480 None 0.103 0.105
document_2506 531.3370 531.3370 None 0.090 0.053
document_1138 437.2310 437.2310 None 0.077 0.046
document_1613 466.2900 466.2900 None 0.077 0.048
document_4918 727.4600 727.4600 None 0.075 0.509
document_1914 487.3580 487.3580 None 0.072 0.559
document_2925 569.4390 569.4390 None 0.060 0.598
document_3664 639.4070 639.4070 None 0.060 0.513
document_1868 485.3090 485.3090 None 0.059 0.572
document_827 429.2460 429.2460 None 0.058 0.048
document_2760 556.3520 556.3520 None 0.055 0.509
document_3347 613.2470 613.2470 None 0.053 0.050
document_3658 639.4050 639.4050 None 0.051 0.511
document_2268 507.3110 507.3110 None 0.050 0.049

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.