Mass2Motif: motif_5

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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 0.955322087247506. 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_185.0500 0.278
fragment_128.0500 0.158
fragment_265.0500 0.087
fragment_574.3500 0.034
fragment_253.0500 0.020
fragment_289.1500 0.019
loss_174.0500 0.017
loss_172.1500 0.017
loss_71.0500 0.015
fragment_242.1500 0.014
loss_192.8500 0.014
loss_170.6500 0.011
fragment_206.0500 0.011
loss_148.1500 0.011
fragment_289.0500 0.011
fragment_266.0500 0.009
fragment_485.2500 0.008
fragment_297.2500 0.008
fragment_148.2500 0.008
fragment_538.3500 0.008
fragment_330.5500 0.008
fragment_226.2500 0.007
fragment_94.0500 0.007
fragment_430.2500 0.007
fragment_249.2500 0.007
fragment_114.5500 0.006
fragment_301.2500 0.006
fragment_488.3500 0.006
loss_136.0500 0.006
loss_109.9500 0.006
fragment_499.3500 0.006
loss_156.0500 0.005
fragment_453.3500 0.004
fragment_367.0500 0.004
fragment_232.6500 0.004
loss_158.8500 0.004
loss_17.9500 0.004
fragment_468.3500 0.004
fragment_284.1500 0.004
loss_195.5500 0.003
fragment_223.6500 0.003
fragment_290.0500 0.003
fragment_497.3500 0.003
fragment_108.0500 0.003
fragment_361.6500 0.003
fragment_465.2500 0.003
loss_83.9500 0.003
loss_70.0500 0.003
fragment_213.2500 0.003
loss_167.8500 0.003
fragment_155.4500 0.002
fragment_230.1500 0.002
fragment_431.2500 0.002
fragment_328.2500 0.002
fragment_333.2500 0.002
loss_101.1500 0.002
loss_147.1500 0.002
loss_69.0500 0.002
fragment_152.1500 0.002
fragment_65.7500 0.002
loss_151.8500 0.002
fragment_416.7500 0.002
loss_40.0500 0.002
fragment_345.1500 0.002
fragment_461.1500 0.002
loss_84.2500 0.002
fragment_267.0500 0.002
fragment_451.7500 0.002
loss_116.7500 0.002
fragment_309.0500 0.002
fragment_105.8500 0.002
fragment_373.2500 0.002
loss_128.0500 0.002
fragment_146.0500 0.002
fragment_184.9500 0.002
fragment_212.6500 0.002
loss_173.0500 0.001
fragment_198.0500 0.001
loss_191.7500 0.001
loss_127.0500 0.001
loss_156.5500 0.001
fragment_451.2500 0.001
loss_117.2500 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 43 100 95.3 4.7
Organic nitrogen compound 25 58.1 55.6 2.5
Organonitrogen compound 24 55.8 54.1 1.7
Organopnictogen compound 19 44.2 45.2 1.1
Carbonyl group 16 37.2 44.0 6.8
Azacycle 13 30.2 22.6 7.6
Benzenoid 10 23.3 18.3 4.9
Heteroaromatic compound 6 14.0 5.8 8.2
Aromatic heteropolycyclic compound 5 11.6 9.6 2.0
Organoheterocyclic compound 4 9.3 13.3 4.0
Amine 4 9.3 4.4 4.9
Oxacycle 3 7.0 7.9 0.9
Alcohol 2 4.7 14.7 10.0
Aliphatic acyclic compound 1 2.3 2.9 0.6
Carboxamide group 1 2.3 5.5 3.2
Primary alcohol 1 2.3 0.9 1.5
Oxane 1 2.3 1.9 0.4
Secondary alcohol 1 2.3 7.7 5.4
Polyol 1 2.3 1.6 0.7
Acetal 1 2.3 1.5 0.9
Glycosyl compound 1 2.3 0.7 1.6
Monosaccharide 1 2.3 0.1 2.3

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_3146 593.2420 593.2420 None 0.859 0.109
document_1123 437.2090 437.2090 None 0.648 0.177
document_3308 609.3400 609.3400 None 0.610 0.120
document_1201 441.2220 441.2220 None 0.574 0.160
document_167 407.9600 407.9600 None 0.571 0.161
document_2180 501.2620 501.2620 None 0.476 0.378
document_2678 549.2820 549.2820 Antimycin A1 0.358 0.100
document_3287 607.5660 607.5660 None 0.331 0.115
document_2627 545.1060 545.1060 None 0.309 0.169
document_2913 568.5230 568.5230 None 0.279 0.171
document_104 402.2820 402.2820 None 0.271 0.290
document_195 408.1940 408.1940 None 0.244 0.279
document_2768 557.2890 557.2890 None 0.235 0.170
document_214 409.3580 409.3580 None 0.215 0.179
document_5279 757.3230 757.3230 None 0.209 0.290
document_1610 466.1990 466.1990 None 0.208 0.062
document_168 407.9420 407.9420 None 0.206 0.021
document_2700 551.3060 551.3060 None 0.188 0.283
document_77 401.2830 401.2830 None 0.182 0.278
document_681 423.7050 423.7050 None 0.164 0.034
document_76 401.2630 401.2630 None 0.135 0.289
document_2583 540.3500 540.3500 None 0.117 0.160
document_538 421.2120 421.2120 None 0.106 0.278
document_2449 526.3230 526.3230 None 0.098 0.286
document_105 402.8220 402.8220 None 0.091 0.158
document_428 418.8240 418.8240 None 0.090 0.158
document_3843 661.3160 661.3160 None 0.085 0.157
document_819 429.2430 429.2430 None 0.082 0.294
document_4274 691.4420 691.4420 None 0.081 0.158
document_1750 475.3570 475.3570 None 0.080 0.020
document_1119 437.1920 437.1920 None 0.076 0.113
document_724 427.0740 427.0740 None 0.075 0.278
document_2454 526.3230 526.3230 None 0.067 0.281
document_1356 449.2380 449.2380 None 0.066 0.277
document_1888 486.2460 486.2460 None 0.062 0.278
document_1314 444.5970 444.5970 None 0.061 0.301
document_5288 757.4710 757.4710 None 0.059 0.278
document_1020 432.1920 432.1920 None 0.057 0.280
document_3642 639.3540 639.3540 None 0.056 0.278
document_4122 683.4340 683.4340 None 0.055 0.277
document_387 415.1370 415.1370 None 0.052 0.263
document_725 427.0740 427.0740 None 0.052 0.158
document_19 401.6520 401.6520 None 0.051 0.278

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.