Mass2Motif: motif_7

Return to experiment MIADB_POS_100mass2motifs_uniqueIDs

Mass2Motif Annotation

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

Annotation: Corynanthean_skeleton

Short Annotation: Corynanthean_skeleton

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 0.847551372661372. 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_153.1175 0.160
  • CCC1CNCCC1CC=O (1)
  • C=CC1CNCCC1CCO (1)
fragment_144.0775 0.080
  • CCc1c[nH]c2ccccc12 (1)
fragment_160.0725 0.040
fragment_115.0525 0.032
  • CCcc1ccccc1 (2)
fragment_143.0725 0.026
  • CCc1c[nH]c2ccccc12 (2)
loss_152.1125 0.026
loss_154.1225 0.022
  • CCC1CNCCC1CC=O (1)
  • C=CC1CNCCC1CCO (1)
loss_182.1425 0.021
  • CCC1CNC(c[nH])CC1CC=O (1)
  • C=CC1CNC(c[nH])CC1CCO (1)
fragment_145.0825 0.017
loss_180.1325 0.016
fragment_127.0525 0.014
loss_170.1425 0.013
fragment_117.0675 0.012
loss_167.1325 0.012
  • CCC1CN(C)CCC1CC=O (1)
  • C=CC1CN(C)CCC1CCO (1)
loss_198.1375 0.012
loss_180.1275 0.010
  • CC=C1CNC(c[nH])CC1CCO (1)
loss_154.1275 0.009
loss_169.1425 0.009
fragment_154.1225 0.009
  • CCC1CNCCC1CC=O (1)
  • C=CC1CNCCC1CCO (1)
fragment_117.0625 0.008
fragment_117.0575 0.008
  • c1ccc2[nH]ccc2c1 (1)
loss_196.1325 0.008
  • CC=C1CN(CC)CCC1CCO.O (1)
fragment_130.0625 0.007
  • Cc1c[nH]c2ccccc12 (2)
fragment_132.0775 0.007
loss_181.1375 0.007
fragment_116.0575 0.006
loss_129.1175 0.006
fragment_161.0775 0.006
loss_181.1125 0.006
fragment_167.0725 0.006
fragment_142.0625 0.005
  • CCc1c[nH]c2ccccc12 (2)
loss_117.1175 0.005
  • C=CCCNCC.O (1)
loss_153.0075 0.005
fragment_144.1875 0.005
fragment_128.0575 0.005
loss_130.1225 0.005
loss_179.1275 0.005
fragment_103.0525 0.005
  • Ccc1ccccc1 (2)
loss_103.1025 0.005
fragment_168.0775 0.004
fragment_118.0675 0.004
fragment_105.0675 0.004
  • Ccc1ccccc1 (1)
fragment_159.0675 0.004
fragment_146.0575 0.004
loss_168.1325 0.004
loss_139.1025 0.004
loss_194.1425 0.004
  • CCC1CN(C)C(c[nH])CC1CC=O (1)
  • C=CC1CN(C)C(c[nH])CC1CCO (1)
loss_141.1175 0.004
loss_143.1325 0.004
  • CC=C(CN)C(C)CCO (1)
  • CCC(CN)C(C)CC=O (1)
  • C=CC(CN)C(C)CCO (1)
loss_155.1325 0.004
  • CC=C1CNCCC1CCO (1)
  • CCC1CNCCC1CC=O (1)
  • C=CC1CNCCC1CCO (1)
fragment_129.0625 0.003
loss_91.1025 0.003
loss_159.0725 0.003
loss_115.1025 0.003
fragment_128.0525 0.003
fragment_131.0675 0.003
loss_116.1125 0.003
loss_170.1225 0.003
loss_89.0875 0.003
fragment_154.0625 0.003
  • CCc1c(C)[nH]c2ccccc12 (1)
fragment_116.0525 0.003
loss_197.1375 0.003
loss_166.1275 0.003
fragment_180.0775 0.003
  • CCCCCc1cc2ccccc2[nH]1 (1)
loss_183.1275 0.002
loss_143.0775 0.002
loss_143.0725 0.002
  • CCc1c[nH]c2ccccc12 (2)
loss_171.1275 0.002
loss_130.1275 0.002
fragment_166.1225 0.002
fragment_156.0775 0.002
fragment_297.1975 0.002
  • CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CC=O (1)
loss_128.1125 0.002
loss_77.0875 0.002
fragment_194.0925 0.002
loss_101.0875 0.002
loss_93.1175 0.002
fragment_110.0975 0.002
  • CCC1CCCNC1 (1)
  • C=CC(CN)CCC (1)
loss_104.1075 0.002
fragment_136.1075 0.002
fragment_193.0875 0.002
fragment_196.1075 0.002
loss_151.1075 0.002
loss_72.0575 0.002
  • CC=CC.O (1)
  • CC.CC=O (1)
loss_127.1025 0.002
loss_102.0975 0.002
loss_186.1375 0.002
fragment_158.0925 0.002
fragment_104.0525 0.002
loss_165.1175 0.002
loss_182.1225 0.002
loss_195.1275 0.002
fragment_196.0725 0.002
fragment_118.0625 0.002
loss_88.0825 0.002
fragment_225.1375 0.002
  • c1ccc2c3CCN4CCCCC4c3[nH]c2c1 (1)
loss_92.1075 0.002
loss_79.1025 0.002
fragment_184.0725 0.001
fragment_172.0725 0.001
fragment_183.0675 0.001
loss_159.1275 0.001
fragment_236.1075 0.001
fragment_210.0875 0.001
fragment_108.0775 0.001
  • CC=C1CCCNC1 (1)
fragment_182.0925 0.001
fragment_181.0825 0.001
loss_161.0875 0.001
fragment_155.1225 0.001
fragment_209.1125 0.001
loss_142.1275 0.001
loss_76.0825 0.001
loss_105.1175 0.001
fragment_222.0875 0.001
fragment_111.0775 0.001
  • CC=C(C)CCCO (1)
fragment_166.0675 0.001
  • CCc1[nH]c2ccccc2c1CC (1)
fragment_169.0825 0.001
loss_140.1125 0.001
fragment_119.0825 0.001
fragment_170.0575 0.001
  • CCc1c(C)[nH]c2ccc(O)cc12 (1)
fragment_155.0675 0.001
fragment_208.1075 0.001
loss_196.1575 0.001
  • CCC1CN(C)C(c[nH])CC1CC=O (1)
  • C=CC1CN(C)C(c[nH])CC1CCO (1)
fragment_195.0975 0.001
fragment_174.0875 0.001
fragment_133.0525 0.001
  • Oc1ccc2[nH]ccc2c1 (1)
loss_180.1375 0.001
  • CC=C1CN(CC)CCC1CCO (1)
loss_147.0675 0.001
fragment_101.0375 0.001
  • Ccc1ccccc1 (2)
fragment_133.0675 0.001
  • CCcc1cccc(O)c1 (1)
loss_114.1025 0.001
fragment_204.0775 0.001
loss_78.0975 0.001
loss_90.0975 0.001

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
CCMSLIB00004679916 313.1910 312.1837 None 1.000 0.594
CCMSLIB00004679967 297.1960 296.1887 None 1.000 0.659
CCMSLIB00004679947 297.1960 296.1887 None 0.993 0.652
CCMSLIB00004679963 297.1960 296.1887 None 0.630 0.489

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.