Mass2Motif: motif_157

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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 0.953250700339444. 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_367.2500 0.152
fragment_302.2500 0.123
loss_21.0500 0.046
fragment_286.1500 0.040
fragment_285.1500 0.034
fragment_384.2500 0.030
fragment_456.2500 0.026
fragment_592.3500 0.019
fragment_356.9500 0.017
fragment_952.4500 0.016
fragment_308.1500 0.016
loss_21.3500 0.015
fragment_592.0500 0.015
fragment_297.2500 0.015
fragment_385.3500 0.015
fragment_267.1500 0.014
fragment_343.1500 0.014
fragment_495.3500 0.013
loss_123.0500 0.013
loss_171.3500 0.013
fragment_292.1500 0.010
loss_21.6500 0.010
fragment_419.1500 0.009
fragment_661.7500 0.009
fragment_329.2500 0.009
fragment_683.3500 0.008
fragment_348.2500 0.008
loss_108.0500 0.008
fragment_592.7500 0.007
loss_20.6500 0.007
fragment_596.2500 0.007
fragment_730.4500 0.007
fragment_303.2500 0.007
fragment_198.1500 0.006
fragment_357.1500 0.006
fragment_218.1500 0.006
fragment_650.2500 0.006
fragment_161.0500 0.006
loss_153.3500 0.005
fragment_216.2500 0.005
fragment_268.1500 0.005
fragment_409.3500 0.005
fragment_454.1500 0.005
fragment_284.9500 0.005
fragment_953.4500 0.005
fragment_201.0500 0.004
fragment_809.5500 0.004
fragment_237.2500 0.004
fragment_204.5500 0.004
fragment_676.0500 0.004
loss_28.2500 0.004
fragment_725.3500 0.004
loss_122.0500 0.004
fragment_55.0500 0.004
fragment_617.4500 0.004
loss_65.9500 0.004
fragment_411.2500 0.003
fragment_315.1500 0.003
fragment_428.2500 0.003
loss_70.0500 0.003
fragment_280.1500 0.003
fragment_413.3500 0.003
fragment_326.1500 0.003
fragment_684.4500 0.003
fragment_438.2500 0.003
fragment_72.0500 0.003
fragment_242.1500 0.003
fragment_634.3500 0.003
fragment_307.1500 0.003
fragment_565.3500 0.003
fragment_366.2500 0.002
loss_113.2500 0.002
fragment_812.4500 0.002
loss_105.0500 0.002
fragment_101.0500 0.002
fragment_59.0500 0.002
fragment_387.1500 0.002
fragment_205.1500 0.002
loss_170.3500 0.002
fragment_496.3500 0.002
fragment_343.2500 0.002
fragment_726.3500 0.002
fragment_165.1500 0.002
fragment_227.1500 0.002
fragment_155.0500 0.002
fragment_170.0500 0.002
fragment_748.3500 0.002
fragment_639.1500 0.002
loss_65.1500 0.002
fragment_760.2500 0.002
fragment_504.3500 0.002
fragment_917.4500 0.001
fragment_954.4500 0.001
fragment_650.3500 0.001
loss_54.0500 0.001
fragment_294.1500 0.001
fragment_800.4500 0.001
loss_195.3500 0.001
loss_177.0500 0.001
fragment_782.3500 0.001
fragment_212.2500 0.001
fragment_400.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 33 100 100 0
Organooxygen compound 33 100 95.3 4.7
Organic nitrogen compound 19 57.6 55.6 1.9
Organonitrogen compound 18 54.5 54.1 0.4
Organopnictogen compound 12 36.4 45.2 8.9
Carbonyl group 11 33.3 44.0 10.7
Organoheterocyclic compound 10 30.3 13.3 17.0
Azacycle 10 30.3 22.6 7.7
Benzenoid 8 24.2 18.3 5.9
Alcohol 7 21.2 14.7 6.6
Aromatic heteropolycyclic compound 5 15.2 9.6 5.5
Oxacycle 5 15.2 7.9 7.2
Secondary alcohol 4 12.1 7.7 4.4
Heteroaromatic compound 3 9.1 5.8 3.3
Acetal 2 6.1 1.5 4.6
Oxane 2 6.1 1.9 4.2
Carboxamide group 1 3.0 5.5 2.5
Carboxylic acid ester 1 3.0 1.8 1.2
Glycosyl compound 1 3.0 0.7 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_3214 598.4170 598.4170 None 1.000 0.292
document_3364 613.4040 613.4040 None 0.997 0.110
document_4500 704.3560 704.3560 None 0.983 0.173
document_4501 704.3690 704.3690 None 0.944 0.199
document_3951 673.5100 673.5100 None 0.875 0.138
document_3333 612.4300 612.4300 None 0.630 0.239
document_2621 543.3030 543.3030 None 0.552 0.054
document_4085 681.5830 681.5830 None 0.472 0.183
document_3815 657.4530 657.4530 None 0.388 0.188
document_4126 683.4370 683.4370 None 0.321 0.069
document_346 414.3930 414.3930 None 0.313 0.027
document_2483 528.3380 528.3380 None 0.226 0.185
document_2018 496.2630 496.2630 None 0.224 0.070
document_3267 604.3690 604.3690 None 0.208 0.240
document_74 401.2530 401.2530 None 0.191 0.168
document_3706 643.5000 643.5000 None 0.181 0.125
document_4918 727.4600 727.4600 None 0.159 0.183
document_3961 675.4890 675.4890 None 0.127 0.160
document_2482 528.4530 528.4530 None 0.127 0.263
document_1153 437.3730 437.3730 None 0.116 0.169
document_2904 567.3440 567.3440 None 0.109 0.167
document_321 413.2390 413.2390 None 0.100 0.123
document_3693 641.4190 641.4190 None 0.082 0.172
document_3922 669.4500 669.4500 None 0.076 0.246
document_4363 697.4810 697.4810 None 0.071 0.174
document_3804 655.4360 655.4360 None 0.069 0.181
document_2203 503.3830 503.3830 None 0.068 0.130
document_1751 475.3510 475.3510 None 0.065 0.138
document_4131 683.4640 683.4640 None 0.061 0.169
document_1692 471.2930 471.2930 None 0.057 0.152
document_1939 489.3660 489.3660 None 0.053 0.141
document_2841 565.3720 565.3720 None 0.052 0.078
document_801 429.2060 429.2060 None 0.052 0.029

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.