Mass2Motif: motif_64

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: Norrubrofusarin-related

Short Annotation: Norrubrofusarin-related

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 0.9553741960632925. 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_256.0375 0.445
fragment_117.0175 0.078
loss_90.0325 0.038
fragment_261.0375 0.036
fragment_417.1575 0.036
fragment_207.0525 0.033
loss_162.0475 0.025
fragment_257.0375 0.014
fragment_399.1475 0.014
fragment_711.2525 0.013
fragment_200.0575 0.013
loss_98.9975 0.013
fragment_199.0325 0.012
loss_100.0225 0.012
loss_43.0125 0.012
fragment_256.0425 0.012
fragment_207.0425 0.012
fragment_172.0575 0.011
loss_126.9975 0.011
fragment_228.0375 0.011
loss_176.0725 0.009
fragment_418.1625 0.009
loss_71.0175 0.007
fragment_387.1425 0.007
fragment_181.0525 0.006
fragment_181.9675 0.006
fragment_228.0425 0.005
fragment_712.2575 0.005
loss_72.0175 0.005
fragment_200.0475 0.004
loss_99.0075 0.004
fragment_172.0525 0.003
loss_72.0225 0.003
fragment_681.2425 0.003
loss_161.0525 0.003
fragment_693.2475 0.003
loss_127.0025 0.003
fragment_402.1375 0.002
fragment_400.1425 0.002
fragment_712.2425 0.002
loss_160.0425 0.002
fragment_255.0375 0.001
loss_44.0175 0.001
fragment_210.0275 0.001
loss_89.0275 0.001
fragment_682.2475 0.001
loss_70.0175 0.001
fragment_229.0375 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 22 100 100 0
Organooxygen compound 22 100 89.1 10.9
Benzenoid 12 54.5 18.5 36.1
Aromatic heteropolycyclic compound 9 40.9 11.7 29.2
Organic nitrogen compound 4 18.2 30.5 12.3
Organonitrogen compound 4 18.2 29.8 11.6
Heteroaromatic compound 4 18.2 5.6 12.6
Organopnictogen compound 3 13.6 23.7 10.1
Carbonyl group 2 9.1 18.7 9.7
Alcohol 1 4.5 14.3 9.7
Secondary alcohol 1 4.5 7.1 2.5
Organoheterocyclic compound 1 4.5 16.5 11.9
Oxacycle 1 4.5 13.9 9.3
Azacycle 1 4.5 6.9 2.3
1-hydroxy-2-unsubstituted benzenoid 1 4.5 4.4 0.1

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
679.227353_47.876936 679.2274 679.2274 None 1.000 0.129
207.050227_49.76394348 207.0502 207.0502 None 1.000 0.116
553.1756612_103.0384388 553.1757 553.1757 None 1.000 0.036
1423.51532_205.8678 1423.5153 1423.5153 None 0.960 0.104
299.0554193_417.6393692 299.0554 299.0554 None 0.786 0.544
299.0548723_345.2916087 299.0549 299.0549 None 0.570 0.490
433.1132148_301.9214769 433.1132 433.1132 None 0.515 0.494
479.1183177_253.9478182 479.1183 479.1183 None 0.513 0.445
299.0556486_537.8076824 299.0556 299.0556 None 0.501 0.488
595.1674265_236.3189324 595.1674 595.1674 None 0.397 0.464
595.1655501_226.5247099 595.1674 595.1674 None 0.397 0.464
579.1706193_275.9854119 579.1706 579.1706 None 0.376 0.450
625.1776182_223.7078451 625.1776 625.1776 None 0.330 0.445
579.1720308_291.8719913 579.1720 579.1720 None 0.311 0.450
647.1604572_276.7878514 647.1605 647.1605 None 0.176 0.445
359.0760747_352.6945021 359.0761 359.0761 None 0.165 0.445
489.1965716_272.9123455 489.1966 489.1966 None 0.161 0.445
607.1655655_276.6548143 607.1656 607.1656 None 0.137 0.445
465.1975436_230.6284821 465.1975 465.1975 None 0.075 0.078
739.1888909_272.4309514 739.1889 739.1889 None 0.056 0.445
563.2701061_224.2656529 563.2701 563.2701 None 0.056 0.450
347.0768547_295.14825 347.0769 347.0769 None 0.051 0.482

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.