Mass2Motif: motif_33

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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 0.9649990270617269. 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_85.1500 0.361
fragment_71.0500 0.198
fragment_447.2500 0.068
fragment_155.1500 0.031
loss_171.2500 0.022
fragment_99.1500 0.019
fragment_188.1500 0.018
loss_40.1500 0.018
fragment_196.2500 0.015
fragment_310.1500 0.014
fragment_448.2500 0.009
fragment_603.6500 0.007
loss_30.8500 0.007
fragment_427.3500 0.007
fragment_119.0500 0.007
fragment_921.4500 0.007
fragment_295.2500 0.007
fragment_130.1500 0.006
fragment_451.2500 0.006
fragment_379.6500 0.006
loss_107.7500 0.006
fragment_222.1500 0.005
loss_195.2500 0.005
fragment_98.0500 0.005
fragment_317.2500 0.005
fragment_420.2500 0.004
fragment_218.9500 0.004
fragment_140.1500 0.004
loss_194.2500 0.003
loss_122.0500 0.003
fragment_467.3500 0.003
fragment_161.1500 0.003
fragment_113.1500 0.003
fragment_289.2500 0.003
fragment_52.9500 0.003
fragment_653.8500 0.003
loss_71.0500 0.003
fragment_374.2500 0.003
fragment_333.7500 0.003
fragment_170.0500 0.003
fragment_799.8500 0.003
fragment_195.5500 0.003
fragment_271.2500 0.003
fragment_177.3500 0.003
fragment_196.1500 0.003
loss_123.0500 0.002
fragment_240.2500 0.002
fragment_287.1500 0.002
fragment_992.6500 0.002
fragment_252.8500 0.002
fragment_129.5500 0.002
fragment_272.2500 0.002
fragment_386.2500 0.002
fragment_407.1500 0.002
fragment_345.1500 0.002
fragment_266.1500 0.002
loss_66.6500 0.002
fragment_188.6500 0.002
fragment_587.3500 0.002
loss_137.6500 0.002
fragment_966.5500 0.002
fragment_365.7500 0.002
loss_162.2500 0.001
fragment_249.9500 0.001
fragment_408.2500 0.001
loss_137.1500 0.001
fragment_859.4500 0.001
loss_127.1500 0.001
fragment_262.9500 0.001
fragment_334.1500 0.001
fragment_511.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 43 100 100 0
Organooxygen compound 39 90.7 95.3 4.6
Alcohol 21 48.8 14.7 34.2
Secondary alcohol 19 44.2 7.7 36.5
Carbonyl group 15 34.9 44.0 9.1
Organoheterocyclic compound 14 32.6 13.3 19.2
Oxacycle 11 25.6 7.9 17.7
Oxane 10 23.3 1.9 21.4
Polyol 9 20.9 1.6 19.3
Organic nitrogen compound 8 18.6 55.6 37.0
O-glycosyl compound 8 18.6 1.2 17.4
Acetal 8 18.6 1.5 17.2
Benzenoid 7 16.3 18.3 2.1
Organonitrogen compound 6 14.0 54.1 40.2
Glycosyl compound 5 11.6 0.7 10.9
Primary alcohol 4 9.3 0.9 8.4
Organopnictogen compound 2 4.7 45.2 40.6
Aliphatic acyclic compound 2 4.7 2.9 1.7
Aromatic heteropolycyclic compound 2 4.7 9.6 5.0
Azacycle 1 2.3 22.6 20.3
Heteroaromatic compound 1 2.3 5.8 3.4
Monosaccharide 1 2.3 0.1 2.3
1-hydroxy-2-unsubstituted benzenoid 1 2.3 1.3 1.0
Hexose monosaccharide 1 2.3 0.0 2.3
Phenol 1 2.3 0.5 1.9
1-benzopyran 1 2.3 0.1 2.2
Pyran 1 2.3 0.1 2.2
Phenolic glycoside 1 2.3 0.0 2.3
Carboxylic acid ester 1 2.3 1.8 0.5

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_1620 466.4390 466.4390 None 0.617 0.659
document_1834 482.4330 482.4330 None 0.559 0.633
document_2328 512.4430 512.4430 None 0.549 0.669
document_1913 487.3580 487.3580 None 0.475 0.115
document_4871 724.9530 724.9530 None 0.420 0.618
document_1820 481.3400 481.3400 None 0.416 0.642
document_3127 590.4260 590.4260 None 0.362 0.570
document_3008 579.5350 579.5350 None 0.355 0.566
document_3545 634.4520 634.4520 None 0.276 0.224
document_2986 576.4060 576.4060 None 0.262 0.435
document_2026 496.3630 496.3630 None 0.248 0.576
document_3124 590.4240 590.4240 None 0.222 0.287
document_2681 551.3710 551.3710 None 0.218 0.564
document_1952 490.2900 490.2900 None 0.201 0.274
document_2430 523.4720 523.4720 None 0.172 0.559
document_431 419.3550 419.3550 None 0.171 0.559
document_3123 590.4230 590.4230 None 0.164 0.636
document_3600 636.9010 636.9010 None 0.136 0.587
document_2429 523.4710 523.4710 None 0.131 0.361
document_3097 590.4170 590.4170 None 0.128 0.636
document_5234 746.9650 746.9650 None 0.123 0.387
document_2107 498.8990 498.8990 None 0.119 0.203
document_2312 512.5570 512.5570 None 0.107 0.559
document_3487 630.1650 630.1650 None 0.102 0.572
document_4856 722.5040 722.5040 None 0.100 0.361
document_4529 704.5210 704.5210 None 0.093 0.562
document_3367 614.8110 614.8110 None 0.091 0.585
document_1183 440.2900 440.2900 None 0.091 0.559
document_4647 713.4450 713.4450 None 0.089 0.364
document_2456 526.4570 526.4570 None 0.085 0.569
document_1410 454.2910 454.2910 None 0.080 0.559
document_1137 437.2390 437.2390 None 0.078 0.559
document_508 419.3150 419.3150 None 0.077 0.559
document_2211 504.8250 504.8250 None 0.077 0.585
document_3102 590.4380 590.4380 None 0.072 0.280
document_3144 592.8750 592.8750 None 0.072 0.569
document_2515 531.4070 531.4070 None 0.071 0.559
document_5581 819.5000 819.5000 None 0.065 0.361
document_1835 482.8960 482.8960 None 0.063 0.565
document_2055 497.3490 497.3490 None 0.062 0.366
document_1975 492.4520 492.4520 None 0.056 0.564
document_3284 607.3410 607.3410 None 0.056 0.068
document_2651 546.4000 546.4000 None 0.056 0.562

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.