Mass2Motif: motif_211

Return to experiment crusemann

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 0.9246368798337016. 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
loss_149.1500 0.152
fragment_263.0500 0.093
loss_96.0500 0.083
fragment_179.0500 0.082
fragment_513.2500 0.081
fragment_270.2500 0.058
fragment_493.2500 0.035
fragment_416.2500 0.035
loss_35.9500 0.034
fragment_515.1500 0.021
loss_148.1500 0.021
fragment_514.2500 0.020
fragment_343.2500 0.015
loss_34.9500 0.012
loss_95.0500 0.011
fragment_271.2500 0.011
fragment_417.2500 0.010
fragment_494.2500 0.010
fragment_355.2500 0.010
fragment_420.0500 0.007
loss_193.1500 0.007
fragment_226.2500 0.006
fragment_452.1500 0.006
fragment_264.0500 0.006
fragment_258.2500 0.005
fragment_516.1500 0.005
loss_64.0500 0.005
fragment_543.1500 0.005
fragment_326.8500 0.004
fragment_496.2500 0.004
fragment_479.1500 0.003
loss_71.9500 0.003
fragment_375.2500 0.003
fragment_387.2500 0.003
fragment_344.5500 0.003
loss_192.9500 0.003
fragment_63.5500 0.003
fragment_344.2500 0.003
fragment_340.0500 0.003
fragment_892.3500 0.002
fragment_448.2500 0.002
fragment_180.9500 0.002
fragment_384.2500 0.002
fragment_517.1500 0.002
fragment_357.2500 0.002
loss_176.0500 0.002
loss_147.1500 0.002
fragment_356.2500 0.002
fragment_344.0500 0.002
fragment_393.1500 0.001
fragment_885.1500 0.001
fragment_272.2500 0.001
fragment_841.2500 0.001
fragment_433.1500 0.001
fragment_834.2500 0.001
fragment_375.0500 0.001
fragment_641.2500 0.001
fragment_165.9500 0.001
loss_49.0500 0.001
fragment_515.2500 0.001
fragment_382.0500 0.001
fragment_937.5500 0.001
loss_18.7500 0.001
loss_156.0500 0.001
fragment_124.2500 0.001
fragment_907.2500 0.001
fragment_938.6500 0.001
loss_17.6500 0.001
fragment_421.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 37 94.9 95.3 0.5
Carbonyl group 26 66.7 44.0 22.6
Organic nitrogen compound 23 59.0 55.6 3.3
Organopnictogen compound 22 56.4 45.2 11.2
Organonitrogen compound 22 56.4 54.1 2.3
Azacycle 9 23.1 22.6 0.5
Alcohol 6 15.4 14.7 0.7
Benzenoid 5 12.8 18.3 5.5
Amine 5 12.8 4.4 8.5
Organoheterocyclic compound 5 12.8 13.3 0.5
Carboxamide group 3 7.7 5.5 2.2
Secondary alcohol 3 7.7 7.7 0.0
Oxacycle 2 5.1 7.9 2.8
Carboxylic acid ester 1 2.6 1.8 0.8
1-hydroxy-2-unsubstituted benzenoid 1 2.6 1.3 1.3
Aliphatic acyclic compound 1 2.6 2.9 0.4

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_514 419.3470 419.3470 None 0.956 0.245
document_513 419.3450 419.3450 None 0.950 0.258
document_2693 551.1510 551.1510 None 0.948 0.081
document_2489 529.1960 529.1960 None 0.848 0.093
document_515 419.3480 419.3480 None 0.796 0.256
document_5864 1025.4170 1025.4170 None 0.776 0.122
document_2327 512.3540 512.3540 None 0.763 0.187
document_2326 512.3540 512.3540 None 0.749 0.182
document_5472 791.3000 791.3000 None 0.682 0.121
document_1031 433.2670 433.2670 None 0.490 0.183
document_5814 956.3420 956.3420 None 0.488 0.048
document_3245 601.5140 601.5140 None 0.459 0.173
document_417 417.2120 417.2120 None 0.291 0.085
document_1773 477.2610 477.2610 None 0.252 0.109
document_3539 634.3540 634.3540 None 0.233 0.101
document_2903 567.2770 567.2770 None 0.183 0.128
document_3246 601.5150 601.5150 None 0.161 0.179
document_1692 471.2930 471.2930 None 0.159 0.175
document_1724 473.3040 473.3040 None 0.151 0.093
document_163 405.2930 405.2930 None 0.149 0.082
document_1240 442.1810 442.1810 None 0.137 0.093
document_2572 537.4880 537.4880 None 0.135 0.010
document_4664 716.3440 716.3440 None 0.122 0.102
document_1547 463.0780 463.0780 None 0.108 0.093
document_697 425.1980 425.1980 None 0.095 0.098
document_3176 595.3790 595.3790 None 0.084 0.082
document_2447 526.1720 526.1720 None 0.077 0.155
document_2205 504.2680 504.2680 None 0.076 0.152
document_3440 622.3220 622.3220 None 0.075 0.152
document_2935 571.3620 571.3620 None 0.070 0.178
document_2450 526.2600 526.2600 None 0.069 0.056
document_3652 639.3280 639.3280 None 0.066 0.233
document_1992 494.5260 494.5260 None 0.062 0.076
document_1340 447.2460 447.2460 None 0.062 0.173
document_2492 529.2930 529.2930 None 0.052 0.094
document_2266 507.3000 507.3000 None 0.052 0.086
document_2335 513.2750 513.2750 None 0.052 0.082
document_2380 518.2820 518.2820 None 0.051 0.153
document_351 414.1660 414.1660 None 0.051 0.093

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.