Mass2Motif: motif_10

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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: cinchonan-9-ol substructure

Short Annotation: cinchonan-9-ol substructure

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 0.9999999999999999. 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_325.1925 0.103
  • C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12 (10)
loss_165.1175 0.079
  • C=CC1CN2CCC1CC2CO (11)
  • CCC1CN2CCC1CC2.O.c (1)
  • C[NH+](CCO)Cc1ccccc1 (1)
fragment_160.0775 0.057
  • COc1ccc2ncccc2c1 (7)
  • Cn1ccc(=O)c2ccccc21 (1)
  • COc1ccc2c(C)c[nH]c2c1 (1)
  • COc1ccc2[nH]cc(C)c2c1 (1)
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loss_153.1175 0.041
  • C=CC1CN2CCC1CC2.O (12)
fragment_172.0775 0.038
  • COc1ccc2nccc(C)c2c1 (9)
  • Cc1cn(C)c2ccccc2c1=O (1)
  • CC(CS)C(=O)N1CCCC1 (1)
  • C=Cc1cc(=O)c2ccccc2[nH]1 (1)
  • Cc1[nH]c2ccc(C=O)cc2c1C (1)
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fragment_307.1775 0.038
  • C=CC1CN2CCC1CC2Cc1ccnc2ccc(cc12)OC (8)
loss_141.1175 0.026
  • C=CC1CNCCC1C.O (11)
  • CCC1CCCNC1.CO (2)
fragment_184.0775 0.024
  • CCc1ccnc2ccc(cc12)OC (5)
  • CCC(O)c1ccnc2ccccc12 (4)
  • CC=Cc1cc(=O)c2ccccc2[nH]1 (1)
  • CC1=CCCc2[nH]c(=O)ccc2CC1 (1)
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loss_139.1025 0.021
  • C=CC1CNCCC1C.O (8)
fragment_186.0925 0.018
  • CCc1ccnc2ccc(cc12)OC (7)
  • CCC(O)c1ccnc2ccccc12 (3)
  • Cc1ccc(=O)n(-c2ccccc2)c1 (1)
loss_127.0975 0.017
  • C=CC1CCCNC1.O (3)
  • CN1CCCCC1.CO (1)
loss_152.1075 0.016
  • C=CC1CN2CCC1CC2.O (9)
loss_18.0125 0.015
  • O (14)
loss_72.0575 0.013
  • C=CCC.O (10)
  • CC(C)CO (1)
  • CC1(C)CO1 (1)
fragment_173.0825 0.013
  • COc1ccc2nccc(C)c2c1 (11)
  • CCc1c[nH]c2cc(ccc12)OC (2)
  • cc1c[nH]c(C=CCCC)cc1=O (1)
fragment_253.1325 0.012
  • COc1ccc2nccc(CC3CCCCN3)c2c1 (10)
fragment_166.1225 0.011
  • C=CC1CN2CCC1CC2CO (10)
  • C[NH+](CCO)Cc1ccccc1 (1)
loss_136.1125 0.011
  • C=CC1CN2CCC1CC2 (10)
loss_159.0675 0.010
  • COc1ccc2ncccc2c1 (11)
  • OCc1ccnc2ccccc12 (1)
loss_115.0975 0.010
  • C=CCCNCC.O (4)
  • CCCCNCC.O (1)
loss_74.0725 0.010
  • C=CCC.O (9)
  • CCCC.O (3)
  • CC.CCO (1)
  • CC(C)CO (1)
  • C=C(C)C.O (1)
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fragment_189.0775 0.009
  • COc1ccc2nccc(CO)c2c1 (12)
  • COc1cc2[nH]cc(C)c2cc1OC (2)
  • COc1ccc2CN(C=O)CCc2c1 (1)
fragment_198.0925 0.009
  • CCCc1ccnc2ccc(cc12)OC (8)
  • CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2 (1)
loss_167.1325 0.009
  • C=CC1CN2CCC1CC2CO (10)
  • CCC1CN2CCC1CC2CO (3)
loss_151.0975 0.009
  • C=CC1CN2CCC1CC2.O (4)
fragment_251.1175 0.008
  • COc1ccc2nccc(CC3CCCCN3)c2c1 (12)
fragment_122.0775 0.008
loss_144.0425 0.008
fragment_158.0625 0.008
  • COc1ccc2ncccc2c1 (3)
  • OCc1ccnc2ccccc12 (1)
  • COc1ccc2c(C)c[nH]c2c1 (1)
fragment_174.0925 0.007
  • COc1ccc2nccc(C)c2c1 (6)
loss_123.1025 0.007
  • C=CC1CNCCC1C (4)
fragment_326.1925 0.007
fragment_210.0925 0.006
  • CCCCc1ccnc2ccc(cc12)OC (7)
  • CCC1CC(=O)n2c(cc3ccccc32)C1 (1)
  • C=C1C2C=C(C)CC1c1ccc(=O)[nH]c1C2 (1)
fragment_183.0675 0.006
  • CCc1ccnc2ccc(cc12)OC (9)
  • CCC(O)c1ccnc2ccccc12 (1)
loss_170.1175 0.006
  • C=CC1CNCCC1C.CO.O (7)
fragment_161.0825 0.006
  • cc(C)c1cc(ccc1n)OC (4)
  • COc1ccc2c(C)c[nH]c2c1 (1)
fragment_174.0525 0.006
  • OCc1ccnc2ccc(O)cc12 (8)
loss_151.1375 0.006
  • C.C=CC1CN2CCC1CC2 (9)
fragment_202.0875 0.005
  • COc1ccc2nccc(c2c1)C(C)O (7)
  • CCNc1nc(Cl)nc(NCC)n1 (1)
  • CCc1c[nH]c2cc(OC)c(cc12)OC (1)
loss_180.1375 0.005
  • C.C=CC1CN2CCC1CC2CO (8)
fragment_169.0525 0.005
  • CC(O)c1ccnc2ccccc12 (8)