Mass2Motif: motif_0

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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 0.9468959515585793. 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_195.0500 0.351
fragment_269.1500 0.175
loss_152.1500 0.057
fragment_254.0500 0.047
fragment_165.0500 0.027
fragment_627.0500 0.020
fragment_271.1500 0.019
fragment_280.0500 0.015
fragment_75.0500 0.010
fragment_258.0500 0.010
loss_187.2500 0.010
loss_53.9500 0.010
fragment_619.4500 0.009
fragment_355.2500 0.009
fragment_192.0500 0.009
fragment_212.1500 0.008
fragment_619.0500 0.008
loss_54.2500 0.008
fragment_628.0500 0.007
fragment_141.9500 0.007
fragment_605.5500 0.007
fragment_433.2500 0.006
loss_138.2500 0.005
fragment_447.0500 0.005
fragment_623.7500 0.005
loss_49.6500 0.005
loss_146.2500 0.005
loss_159.2500 0.005
fragment_682.3500 0.004
fragment_152.9500 0.004
fragment_681.3500 0.004
loss_132.9500 0.003
fragment_356.2500 0.003
loss_177.1500 0.003
fragment_297.9500 0.003
fragment_209.1500 0.003
fragment_336.9500 0.003
fragment_58.4500 0.003
fragment_357.1500 0.003
loss_175.1500 0.003
loss_182.6500 0.002
fragment_560.7500 0.002
fragment_401.1500 0.002
fragment_841.5500 0.002
fragment_71.8500 0.002
fragment_241.1500 0.002
loss_158.0500 0.002
fragment_566.2500 0.002
loss_172.1500 0.002
fragment_524.3500 0.002
fragment_400.2500 0.002
fragment_460.0500 0.002
loss_44.1500 0.002
fragment_278.1500 0.002
fragment_66.5500 0.002
fragment_84.9500 0.002
fragment_369.9500 0.002
fragment_631.8500 0.002
loss_41.4500 0.002
loss_171.1500 0.002
fragment_222.1500 0.001
fragment_619.7500 0.001
loss_53.6500 0.001
fragment_321.0500 0.001
loss_164.1500 0.001
fragment_231.6500 0.001
fragment_260.9500 0.001
fragment_88.5500 0.001
fragment_907.0500 0.001
fragment_146.0500 0.001
fragment_620.0500 0.001
loss_53.3500 0.001
fragment_292.1500 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 42 97.7 95.3 2.3
Benzenoid 15 34.9 18.3 16.5
Organic nitrogen compound 14 32.6 55.6 23.1
Organonitrogen compound 13 30.2 54.1 23.9
Organopnictogen compound 12 27.9 45.2 17.3
Carbonyl group 7 16.3 44.0 27.8
Azacycle 7 16.3 22.6 6.3
Alcohol 6 14.0 14.7 0.7
Oxacycle 6 14.0 7.9 6.0
Aromatic heteropolycyclic compound 6 14.0 9.6 4.3
Secondary alcohol 4 9.3 7.7 1.6
Organoheterocyclic compound 4 9.3 13.3 4.0
Heteroaromatic compound 1 2.3 5.8 3.4
Aliphatic acyclic compound 1 2.3 2.9 0.6
1-hydroxy-2-unsubstituted benzenoid 1 2.3 1.3 1.0
Chromone 1 2.3 0.0 2.3
1-benzopyran 1 2.3 0.1 2.2
Pyran 1 2.3 0.1 2.2

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_5746 902.1290 902.1290 None 0.996 0.044
document_1972 492.2550 492.2550 None 0.653 0.402
document_3949 673.3770 673.3770 None 0.561 0.065
document_3749 647.3540 647.3540 None 0.509 0.554
document_5177 743.3760 743.3760 None 0.476 0.380
document_1402 453.1940 453.1940 None 0.456 0.084
document_3064 585.3210 585.3210 None 0.428 0.366
document_1222 441.2980 441.2980 None 0.421 0.068
document_2492 529.2930 529.2930 None 0.388 0.419
document_3063 585.3200 585.3200 None 0.373 0.400
document_3390 617.0920 617.0920 None 0.351 0.413
document_2207 504.2890 504.2890 None 0.343 0.197
document_1513 459.3290 459.3290 None 0.328 0.392
document_5461 785.5300 785.5300 None 0.325 0.351
document_3401 617.3460 617.3460 None 0.269 0.569
document_2511 531.3840 531.3840 None 0.255 0.371
document_1155 439.1760 439.1760 None 0.244 0.195
document_422 417.2760 417.2760 None 0.239 0.383
document_301 413.2170 413.2170 None 0.217 0.067
document_159 405.2930 405.2930 None 0.189 0.175
document_398 415.2820 415.2820 None 0.165 0.231
document_2252 506.5280 506.5280 None 0.120 0.351
document_5494 795.4090 795.4090 None 0.117 0.351
document_1478 457.3300 457.3300 None 0.107 0.383
document_2407 521.3510 521.3510 None 0.101 0.356
document_1793 479.2050 479.2050 None 0.089 0.057
document_2605 541.2940 541.2940 None 0.087 0.382
document_1820 481.3400 481.3400 None 0.086 0.173
document_175 407.0880 407.0880 None 0.084 0.351
document_3383 615.3300 615.3300 None 0.080 0.552
document_3134 591.3240 591.3240 None 0.079 0.184
document_4190 688.9900 688.9900 None 0.077 0.351
document_4203 690.4560 690.4560 None 0.071 0.351
document_713 426.2220 426.2220 None 0.067 0.057
document_2958 573.3220 573.3220 None 0.066 0.378
document_3721 645.2730 645.2730 None 0.064 0.201
document_2561 537.2370 537.2370 None 0.062 0.061
document_199 408.2330 408.2330 None 0.059 0.175
document_54 401.2480 401.2480 None 0.058 0.351
document_2806 561.9840 561.9840 None 0.056 0.183
document_658 421.2390 421.2390 None 0.056 0.064
document_692 425.1890 425.1890 None 0.053 0.525
document_2170 499.3740 499.3740 None 0.051 0.058

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.