Mass2Motif: motif_149

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: core flavonol fragments (Quercetin and Myricetin)

Short Annotation: core flavonol fragments (Quercetin and Myricetin)

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 0.9723244209545453. 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_271.0225 0.552
fragment_255.0275 0.080
fragment_272.0275 0.042
fragment_243.0275 0.040
loss_175.0625 0.032
fragment_299.0175 0.031
fragment_242.0225 0.022
loss_78.0675 0.020
loss_106.0625 0.020
fragment_243.0325 0.015
fragment_301.0275 0.012
loss_135.0675 0.011
loss_133.0475 0.011
fragment_178.9925 0.008
loss_198.0925 0.006
loss_92.0475 0.006
fragment_270.0125 0.006
loss_107.0725 0.005
fragment_272.0325 0.005
loss_174.0575 0.005
fragment_163.0025 0.004
fragment_227.0325 0.004
loss_63.0425 0.004
fragment_178.9975 0.003
loss_189.0775 0.003
loss_134.0575 0.003
fragment_227.0375 0.003
loss_162.0525 0.002
fragment_148.0175 0.002
fragment_215.0375 0.002
fragment_199.0425 0.002
fragment_107.0125 0.002
loss_191.0575 0.002
fragment_186.0275 0.002
fragment_171.0475 0.002
fragment_151.0075 0.001
loss_100.0175 0.001
fragment_109.0275 0.001
fragment_163.0075 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 46 100 100 0
Organooxygen compound 46 100 89.1 10.9
Benzenoid 45 97.8 18.5 79.4
Aromatic heteropolycyclic compound 40 87.0 11.7 75.2
1-hydroxy-2-unsubstituted benzenoid 38 82.6 4.4 78.2
1-hydroxy-4-unsubstituted benzenoid 32 69.6 2.7 66.9
Organoheterocyclic compound 31 67.4 16.5 50.9
Oxacycle 31 67.4 13.9 53.5
Vinylogous acid 28 60.9 2.3 58.6
Chromone 28 60.9 2.5 58.4
1-benzopyran 27 58.7 2.6 56.1
Heteroaromatic compound 26 56.5 5.6 50.9
Phenol 25 54.3 2.2 52.2
Pyranone 16 34.8 1.4 33.4
Pyran 16 34.8 1.3 33.5
Hydroxyflavonoid 16 34.8 1.4 33.4
5-hydroxyflavonoid 13 28.3 1.2 27.1
Acetal 5 10.9 3.6 7.2
Flavone 3 6.5 0.4 6.1
Oxane 3 6.5 3.4 3.1
Polyol 2 4.3 1.8 2.5
O-glycosyl compound 2 4.3 2.7 1.7
Alcohol 2 4.3 14.3 9.9

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
377.0867351_302.2414721 377.0867 377.0867 None 0.870 0.741
475.0881836_273.2214517 475.0882 475.0882 None 0.729 0.717
505.0977437_224.2619478 505.0977 505.0977 None 0.595 0.708
315.0505305_308.2452 315.0505 315.0505 None 0.501 0.731
491.0836742_233.1831474 491.0822 491.0822 None 0.495 0.614
595.1291764_160.0865493 595.1292 595.1292 None 0.472 0.736
505.0976451_240.6698 505.0976 505.0976 None 0.467 0.576
433.0759206_199.202513 433.0759 433.0759 None 0.445 0.737
579.1355494_206.3518388 579.1355 579.1355 None 0.388 0.721
329.0666611_428.6509385 329.0667 329.0667 None 0.377 0.727
593.1507296_207.4544113 593.1507 593.1507 None 0.368 0.680
593.1494908_280.5075465 593.1495 593.1495 None 0.368 0.680
609.1440943_191.8345775 609.1441 609.1441 None 0.365 0.707
447.0933565_214.0535831 447.0929 447.0929 None 0.310 0.730
447.0929025_210.0762429 447.0929 447.0929 None 0.310 0.730
329.0663191_474.2177222 329.0663 329.0663 None 0.306 0.630
741.1865808_148.1751549 741.1866 741.1866 None 0.298 0.731
609.1454506_171.2718676 609.1455 609.1455 None 0.287 0.722
491.0822224_232.5042 491.0822 491.0822 None 0.259 0.582
329.0662761_520.1674286 329.0663 329.0663 None 0.245 0.671
449.07202_163.7062299 449.0720 449.0720 None 0.200 0.622
477.1034227_283.2604095 477.1034 477.1034 None 0.189 0.670
725.1920623_197.9074676 725.1921 725.1921 None 0.182 0.608
771.1956588_129.7728257 771.1957 771.1957 None 0.180 0.672
461.1090031_244.6481826 461.1090 461.1090 None 0.171 0.610
623.1401711_285.5528783 623.1402 623.1402 None 0.168 0.621
463.0887934_182.3027493 463.0888 463.0888 None 0.166 0.603
625.139736_146.9652086 625.1397 625.1397 None 0.163 0.577
595.1274863_176.3614971 595.1275 595.1275 None 0.156 0.552
839.2249782_270.3710866 839.2250 839.2250 None 0.150 0.614
839.2250462_265.5818743 839.2250 839.2250 None 0.150 0.614
755.180244_290.6044435 755.1802 755.1802 None 0.126 0.678
623.1621365_267.2531565 623.1621 623.1621 None 0.103 0.625
623.1607508_268.6788174 623.1621 623.1621 None 0.103 0.625
421.0751729_112.8983735 421.0752 421.0752 None 0.102 0.576
755.1865069_238.6487662 755.1865 755.1865 None 0.097 0.601
313.0348969_368.9253 313.0349 313.0349 None 0.082 0.577
331.0428564_786.6591465 331.0429 331.0429 None 0.078 0.580
331.0429167_782.7255887 331.0429 331.0429 None 0.078 0.580
315.0495186_350.24895 315.0495 315.0495 None 0.075 0.604
363.0712806_295.6921889 363.0713 363.0713 None 0.067 0.564
769.217894_193.0114174 769.2179 769.2179 None 0.063 0.598
477.1037621_213.8599183 477.1038 477.1038 None 0.061 0.602
771.1747941_217.118087 771.1748 771.1748 None 0.058 0.559
299.018468_292.0824179 299.0185 299.0185 None 0.056 0.567
901.2417439_248.0568686 901.2417 901.2417 None 0.053 0.555

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.