Mass2Motif: motif_34

Return to experiment Rhamnaceae_plant_extracts_KyoBin_200Motifs_MS1_peaktable

Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Sugar (Glc) Loss

Short Annotation: Sugar (Glc) Loss

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 0.970954255729091. 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_162.0525 0.666
fragment_128.0375 0.056
loss_161.0475 0.051
loss_190.0475 0.030
fragment_434.2625 0.022
loss_111.0525 0.022
fragment_361.1625 0.022
loss_168.0375 0.022
loss_161.0525 0.013
loss_132.0425 0.011
fragment_227.0375 0.008
loss_133.0525 0.008
loss_191.0575 0.005
loss_164.0375 0.005
fragment_126.0525 0.005
fragment_362.1725 0.005
fragment_129.0375 0.004
loss_166.0375 0.003
loss_189.0475 0.003
fragment_122.0325 0.003
fragment_346.1425 0.003
fragment_161.0625 0.002
fragment_301.1025 0.002
loss_167.0375 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 41 100 100 0
Organooxygen compound 37 90.2 89.1 1.2
Benzenoid 15 36.6 18.5 18.1
Organic nitrogen compound 11 26.8 30.5 3.6
Organonitrogen compound 11 26.8 29.8 3.0
Aromatic heteropolycyclic compound 11 26.8 11.7 15.1
Organopnictogen compound 10 24.4 23.7 0.7
Oxacycle 7 17.1 13.9 3.2
Azacycle 6 14.6 6.9 7.8
Heteroaromatic compound 6 14.6 5.6 9.0
1-hydroxy-2-unsubstituted benzenoid 4 9.8 4.4 5.3
1-hydroxy-4-unsubstituted benzenoid 4 9.8 2.7 7.1
Organoheterocyclic compound 4 9.8 16.5 6.7
Carbonyl group 3 7.3 18.7 11.4
Vinylogous acid 3 7.3 2.3 5.0
Phenol 3 7.3 2.2 5.1
Chromone 3 7.3 2.5 4.8
Alcohol 2 4.9 14.3 9.4
Polyol 2 4.9 1.8 3.1
1-benzopyran 2 4.9 2.6 2.3
O-glycosyl compound 1 2.4 2.7 0.2
5-hydroxyflavonoid 1 2.4 1.2 1.3
Flavone 1 2.4 0.4 2.1
Hydroxyflavonoid 1 2.4 1.4 1.0
Pyranone 1 2.4 1.4 1.1
Pyran 1 2.4 1.3 1.1

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
290.0880646_59.33185944 290.0881 290.0881 None 1.000 0.787
290.0880646_58.64294451 290.0881 290.0881 None 1.000 0.787
545.3108306_506.5292087 545.3108 545.3108 None 1.000 0.044
523.2179767_198.72966 523.2180 523.2180 None 0.756 0.753
417.082462_222.1818771 417.0825 417.0825 None 0.574 0.776
264.1080679_45.64186657 264.1081 264.1081 None 0.502 0.666
293.1236986_118.5897391 293.1237 293.1237 None 0.500 0.666
377.0870604_179.8495 377.0871 377.0871 None 0.475 0.747
393.1184387_240.8112 393.1184 393.1184 None 0.471 0.666
431.0977082_261.8509043 431.0977 431.0977 None 0.436 0.752
339.0720307_93.11518286 339.0720 339.0720 None 0.429 0.717
377.1244202_288.1584 377.1244 377.1244 None 0.424 0.678
431.0974313_306.5924364 431.0974 431.0974 None 0.422 0.752
409.042848_171.8799042 409.0428 409.0428 None 0.413 0.027
311.1136598_244.8090462 311.1137 311.1137 None 0.409 0.717
371.1324278_255.5832469 371.1324 371.1324 None 0.404 0.666
431.0968143_311.6866818 431.0974 431.0974 None 0.391 0.747
433.0759206_199.202513 433.0759 433.0759 None 0.291 0.762
353.0870398_152.4809155 353.0870 353.0870 None 0.287 0.678
417.1179502_199.0163824 417.1180 417.1180 None 0.284 0.678
411.1322886_161.3171194 411.1323 411.1323 None 0.273 0.717
381.150379_58.91831208 381.1504 381.1504 None 0.250 0.722
463.0508115_125.5190483 463.0508 463.0508 None 0.220 0.717
345.081743_67.27334113 345.0817 345.0817 None 0.217 0.666
407.0982788_221.206078 407.0983 407.0983 None 0.177 0.717
529.2647709_175.392576 529.2648 529.2648 None 0.166 0.678
449.07202_163.7062299 449.0720 449.0720 None 0.144 0.711
315.0710655_62.28885465 315.0711 315.0711 None 0.134 0.666
583.2385424_183.4604174 583.2385 583.2385 None 0.130 0.666
293.0978943_46.49335412 293.0979 293.0979 None 0.126 0.666
521.2019588_182.7722704 521.2020 521.2020 None 0.118 0.666
521.201251_185.1643521 521.2020 521.2020 None 0.118 0.666
421.0751729_112.8983735 421.0752 421.0752 None 0.098 0.663
341.1241305_170.3128696 341.1241 341.1241 None 0.074 0.717
977.441061_431.11532 977.4411 977.4411 None 0.062 0.666
625.1397892_185.8718789 625.1398 625.1398 None 0.058 0.717
521.130998_325.4868203 521.1310 521.1310 None 0.057 0.666
623.4167774_861.8467273 623.4168 623.4168 None 0.057 0.666
447.0930382_150.0408257 447.0930 447.0930 None 0.057 0.665
447.0928082_258.9826174 447.0928 447.0928 None 0.056 0.722
433.1136274_180.57024 433.1136 433.1136 None 0.056 0.666

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.