Mass2Motif: motif_6

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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: decorated_indole_mostly_type1_MIAskeleton

Short Annotation: decorated_indole_mostly_type1_MIAskeleton

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 0.9368932717447649. 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_144.0825 0.344
  • CCc1c[nH]c2ccccc12 (19)
  • Cc1cn(C)c2ccccc12 (1)
  • Cc1[nH]c2ccccc2c1C (1)
  • Cc1ccc2[nH]cc(C)c2c1 (1)
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fragment_130.0675 0.041
  • Cc1c[nH]c2ccccc12 (12)
  • Cc1ccc2[nH]ccc2c1 (1)
  • Cc1cc2ccccc2[nH]1 (1)
fragment_143.0725 0.039
  • CCc1c[nH]c2ccccc12 (15)
  • Cc1cn(C)c2ccccc12 (1)
  • Cc1ccc2[nH]cc(C)c2c1 (1)
fragment_117.0675 0.038
fragment_145.0825 0.035
fragment_115.0525 0.027
  • CCcc1ccccc1 (19)
  • Ccc1cccc(C)c1 (1)
fragment_168.0825 0.022
  • CCc1[nH]c2ccccc2c1CC (5)
  • CCc1c(C)c2ccccc2n1C (1)
  • CCc1c(C)[nH]c2ccc(C)cc12 (1)
  • CCc1ccc2c(c[nH]c2c1)CC (1)
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fragment_156.0825 0.018
  • CCc1c(C)[nH]c2ccccc12 (12)
  • CCc1cc2ccccc2n1C (1)
  • CCc1[nH]c2ccccc2c1C (1)
  • CCc1c[nH]c2ccc(C)cc12 (1)
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fragment_127.0525 0.018
fragment_108.0825 0.017
  • C=CC1CCCNC1 (5)
  • CCC1CCCNC1 (3)
  • CC=C1CCCNC1 (3)
  • CNc1ccccc1 (1)
  • CC=C(CC)CNC (1)
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  • Cc1ccc([nH])cc1 (1)
  • CCC1=CCCNC1 (1)
fragment_180.0825 0.016
  • CCCCCc1cc2ccccc2[nH]1 (1)
fragment_158.0975 0.016
  • CCc1c(C)[nH]c2ccccc12 (11)
  • CCc1[nH]c2ccccc2c1C (1)
  • CCc1c[nH]c2ccc(C)cc12 (1)
fragment_118.0675 0.015
  • c1ccc2[nH]ccc2c1 (4)
  • CN(C)c1ccccc1 (1)
  • c1ccc2nccc2c1 (1)
  • CCNc1ccccc1 (1)
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fragment_128.0575 0.015
fragment_154.0675 0.011
  • CCc1c(C)[nH]c2ccccc12 (10)
  • CCc1c[nH]c2cc(C)ccc12 (1)
fragment_170.0975 0.011
  • CCc1[nH]c2ccccc2c1CC (4)
  • CCc1c(C)c2ccccc2n1C (1)
  • CCc1c(C)[nH]c2ccc(C)cc12 (1)
  • CCc1ccc2c(c[nH]c2c1)CC (1)
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fragment_194.0975 0.010
  • c1ccc2c(c1)NC13CCC(CC1)CC23 (1)
loss_143.0725 0.010
  • CCc1c[nH]c2ccccc12 (9)
  • Cc1ccc2[nH]cc(C)c2c1 (1)
fragment_167.0725 0.010
  • CCc1c(C)c2ccccc2n1C (1)
  • CCc1[nH]c2ccccc2c1CC (1)
  • cCc1ccc2c(c[nH]c2c1)CC (1)
fragment_157.0875 0.009
  • COC(=O)C1CCCCC1O (3)
  • CCc1c(C)[nH]c2ccccc12 (1)
  • CCc1cc2ccccc2n1C (1)
  • CCCC(=COC)C(=O)OC (1)
  • COC(=O)C1=COC(C)CC1 (1)
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  • CC1CC2CCN3CCC1CC23 (1)
fragment_182.0975 0.009
  • CC=C1CN2C3CC4CC(C1C3)C2C4 (1)
  • CCc1[nH]c2ccc(C)cc2c1CC (1)
fragment_144.1875 0.009
fragment_129.0675 0.009
  • CCcc1cccc(C)c1 (1)
fragment_132.0825 0.008
  • Cc1c[nH]c2ccccc12 (8)
  • CC=C1CNCCC1CC (2)
  • Cn1ccc2ccccc21 (1)
  • CC=C1CCCN(CC)C1 (1)
  • Cc1ccc2[nH]ccc2c1 (1)
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fragment_120.0825 0.008
  • Ccc1ccccc1[nH] (5)
  • C=CC1CNCCC1C (4)
  • CC=C1CCCN(C)C1 (3)
  • CN(C)c1ccccc1 (2)
  • CCNc1ccccc1 (1)
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  • C=CC1CCCN(C)C1 (1)
  • CCC1CCNCC1C (1)
  • CC=C1CNCCC1C (1)
  • cc1cc(C)ccc1[nH] (1)
fragment_116.0575 0.008
fragment_181.0875 0.008
  • CC=C(C)C(C)C(=CO)C(=O)OC (1)
  • CCC(C)C(C)C(=COC)C(=O)O (1)
  • COC(=O)C1=COC(C)C(C)C1C (1)
fragment_106.0675 0.008
  • cc1ccccc1[nH] (6)
  • C=CC1CCCNC1 (4)
  • CC=C1CCCNC1 (3)
  • CC1ccCCN1C (1)
  • CNc1ccccc1 (1)
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  • Cnc1ccccc1 (1)
fragment_142.0675 0.008
  • CCc1c[nH]c2ccccc12 (8)
  • Cc1cn(C)c2ccccc12 (1)
fragment_103.0525 0.007
  • Ccc1ccccc1 (16)
  • C=CC(C)C(C)=CC (1)
  • cc1cccc(C)c1 (1)
fragment_206.0975 0.007
fragment_218.0975 0.007
fragment_155.0725 0.007
  • CCc1c(C)[nH]c2ccccc12 (9)
  • CCc1[nH]c2ccccc2c1C (1)
  • Cc1ccc2[nH]c(C)c(C)c2c1 (1)
fragment_122.0975 0.006
  • CCC1CNCCC1C (3)
  • C=CC1CNCCC1C (3)
  • CC=C1CCCN(C)C1 (3)
  • CC=C(C)CN(C)CC (2)
  • CCC1CNCC(C)C1 (1)
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  • CN(C)c1ccccc1 (1)
  • CC=C1CNCCC1C (1)
  • CCC1=CC(C)CNC1 (1)
fragment_131.0725 0.006
  • Cc1c[nH]c2ccccc12 (8)
  • CCC(=CO)C(=O)OC (1)
  • Cn1ccc2ccccc21 (1)
  • COC=C(C)C(=O)OC (1)
  • CCOC=CC(=O)OC (1)
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fragment_208.1125 0.006
  • CCCCCc1[nH]c2ccccc2c1CC (1)
  • CC12CC3CCC1(CC3)Nc1ccccc12 (1)
loss_199.1225 0.005
  • COC(=O)C1C(O)CCC(CN)C1C (5)
  • CC1c2[nH]c3ccccc3c2CCN1C (1)