Mass2Motif: motif_0

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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: 4 spectra, 4 molecules, 3 classes: 50.0% Paraconic acids, 25.0% Xanthones and bis-Xanthones, 25.0% Depsidones

Short Annotation: 4 spectra, 4 molecules, 3 classes: 50.0% Paraconic acids, 25.0% Xanthones and bis-Xanthones, 25.0% Depsidones

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 0.9656284454047724. 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_83.0850 0.073
  • CCCCCC (2)
fragment_97.1050 0.066
  • CCCCCCC (1)
fragment_69.0750 0.059
  • CCCCC (2)
fragment_109.1050 0.055
  • CCCCCCCC (1)
loss_106.0650 0.040
loss_36.0250 0.032
  • O.O (1)
loss_68.0450 0.030
fragment_333.2450 0.030
  • C=C1C(=O)OC(CCCCCCCCCCCCCCC)C1C=O (1)
fragment_121.1050 0.030
loss_17.7550 0.028
fragment_303.2950 0.028
fragment_383.2750 0.028
loss_197.9350 0.028
fragment_123.1150 0.028
loss_39.9950 0.023
fragment_281.0550 0.023
fragment_57.0750 0.022
fragment_365.2750 0.019
fragment_55.0550 0.019
fragment_119.0850 0.017
loss_86.0550 0.017
loss_126.0550 0.017
fragment_275.2350 0.017
  • C=CCC(O)CCCCCCCCCCCCCCC (1)
fragment_315.2350 0.016
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCCCC (1)
fragment_347.2550 0.015
fragment_71.0850 0.015
  • CCCCC (1)
loss_54.0350 0.014
  • O.O.O (1)
fragment_359.0750 0.013
  • Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2 (1)
fragment_107.0850 0.013
loss_184.1850 0.012
  • CCCCCCCCCCCC.O (1)
fragment_141.0550 0.012
  • CC1C(=O)OC(C)C=1C=O (1)
loss_180.0650 0.010
loss_114.0550 0.010
fragment_287.2350 0.010
  • C=C(C=O)CCCCCCCCCCCCCCCCC (1)
fragment_243.2150 0.009
loss_142.0450 0.008
fragment_313.2050 0.008
loss_88.0950 0.008
fragment_259.2450 0.007
loss_170.1650 0.007
  • CCCCCCCCCCC.O (1)
fragment_155.0750 0.007
  • CCC1OC(=O)C(C)=C1C=O (1)
loss_158.0750 0.007
loss_194.1850 0.006
fragment_207.1050 0.006
  • C=C1C(=O)OC(CCCCCC)C1C=O (1)
fragment_221.2250 0.006
  • CCCCCCCCCCCCCCCC (1)
fragment_191.1050 0.005
  • CCCCCCC1OCC(C)=C1C=O (1)
loss_134.1350 0.005
  • CCCCCCC.O.O (1)
loss_160.0350 0.002
loss_88.0550 0.002
fragment_83.0150 0.002
  • cc(O)cC=O (1)
loss_134.0550 0.001
loss_190.0450 0.001
fragment_267.0650 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 4 100 100 0
Organooxygen compound 4 100 95.7 4.3
Carbonyl group 2 50 20 30
Heteroaromatic compound 1 25 5.4 19.6

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
LDB_519_2-Chlorolichexanthone 321.0530 320.0457 None 1.000 0.351
LDB_446_Murolic acid 401.2903 400.2830 None 0.722 0.510
LDB_237_Lichesterinic acid 325.2379 324.2306 None 0.700 0.340
LDB_106_Virensic acid 391.1029 390.0956 None 0.366 0.108

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.