Mass2Motif: motif_71

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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-Methyl-6-oxo-6H-benzo[c]chromen-3-yl substructure

Short Annotation: 4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl 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 1.0. 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_239.0725 0.220
  • O=c1cc(-c2ccccc2)c2ccc(O)cc2o1 (5)
  • COc1ccc2c(oc(=O)c3ccccc32)c1C (2)
  • O=c1c(coc2cc(O)ccc12)-c1ccccc1 (2)
  • COc1ccc2CCC3C=CC(=O)CC3c2c1O (1)
  • CN(C)C1CC(O)(C=O)C(=O)C(C(N)=O)C1=O (1)
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  • cc1coccc1-c1cc2ccccc2oc1=O (1)
  • COc1ccc2c(c1)c(=O)oc1c(C)cccc12 (1)
  • O=c1cc(-c2ccccc2)oc2cccc(O)c12 (1)
  • O=c1cc(oc2cc(O)ccc12)-c1ccccc1 (1)
  • O=c1cc(-c2ccccc2)oc2cc(O)ccc12 (1)
  • O=c1cc(-c2ccc(O)cc2)oc2ccccc12 (1)
  • O=c1c(coc2ccccc12)-c1ccc(O)cc1 (1)
  • CCOc1ccc2c(c1)oc(=O)c1ccccc12 (1)
fragment_181.0625 0.078
  • c1ccc2c(c1)coc1ccccc12 (5)
  • ccc1cocc(c1)-c1ccccc1 (2)
  • O=Cc1ccccc1-c1ccccc1 (1)
  • Oc1cccc(c1)Cc1ccccc1 (1)
  • Cc1cccc(c1)-c1ccccc1O (1)
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  • cc(O)cc(c)C=Cc1ccccc1 (1)
  • cccc(c)C=Cc1ccc(O)cc1 (1)
  • NCCc1ccc(O)c(c1)[N+](=O)[O-] (1)
  • cc1cc(coc1c)-c1ccccc1 (1)
  • c(oc1ccccc1)-c1ccccc1 (1)
fragment_211.0775 0.052
  • Cc1ccc(cc1)-c1ccccc1C(=O)O (3)
  • Cc1cccc2c1oc(=O)c1ccccc12 (3)
  • CN(C)C1CC(O)C(=O)C(C(N)=O)C1=O (1)
  • COc1ccc(c-c2ccccc2)c(O)c1 (1)
  • Oc1ccc(C=Cc2cccc(O)c2)cc1 (1)
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  • cc(oc1ccccc1)-c1ccc(O)cc1 (1)
  • ccc1c(=O)c(coc1c)-c1ccccc1 (1)
fragment_210.0675 0.036
  • Oc1ccc(C=Cc2cccc(O)c2)cc1 (2)
  • CCc1ccc(O)c(c1)-c1ccccc1O (1)
  • ccc(cc)-c1cc(=O)c2ccccc2o1 (1)
  • COc1cccc(c1)oc-c1ccccc1 (1)
  • Cc1cccc(C)c1N(C)C(=O)CCl (1)
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  • oc1cc(O)ccc1cc-c1ccccc1 (1)
  • O=c(c-c1ccccc1)c1ccccc1o (1)
fragment_165.0675 0.034
  • c(-c1ccccc1)c1ccccc1 (2)
  • Cc1cccc(c1)c1ccccc1 (2)
  • cccc(c)C=Cc1ccccc1 (2)
  • Cc1cccc(c1)-c1ccccc1 (1)
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fragment_240.0725 0.033
  • ccc-c1coc2cc(ccc2c1=O)OC(C)C (2)
  • COc1ccc2CCC3C=CC(=O)CC3c2c1O (1)
  • O=CCOc1ccc(c-c2ccccc2)c(o)c1 (1)
  • COc1ccc2c(oc(=O)c3ccccc32)c1C (1)
  • CCOc1ccc2c(c1)oc(=O)c1ccccc12 (1)
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fragment_183.0825 0.031
  • ccc1cocc(c1)-c1ccccc1 (2)
  • CCCOc1cccc2ccccc12 (1)
  • Cc1cccc(c2ccccc2)c1o (1)
fragment_251.0725 0.031
  • COc1ccc2c(cc(=O)oc2c1)-c1ccccc1 (2)
  • O=c1oc2ccccc2cc1-cc1ccc(O)cc1 (1)
  • COc1ccc(cc1)-c1coc2ccccc2c1=O (1)
fragment_267.0625 0.026
  • C=C1c2cccc(O)c2C(=O)C2C(=O)C(C=O)CCC12 (1)
  • CC(C=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 (1)
fragment_221.0575 0.021
  • O=c1cc(-c2ccccc2)c2ccccc2o1 (2)
  • O=c1oc2ccccc2cc1-c1ccccc1 (1)
  • CCOc1ccc(cc1)c1ccccc1c=O (1)
  • O=c1cc(oc2ccccc12)-c1ccccc1 (1)
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fragment_153.0675 0.021
  • CC(=O)NCCC(C)C(N)=O (1)
  • c1ccc(cc1)-c1ccccc1 (1)
  • NC(Cc1cc[nH]c1)C(=O)O (1)
  • ccccC=Cc1ccccc1 (1)
  • O=c1nc(=O)c2CCCc2[nH]1 (1)
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loss_42.0475 0.019
  • CCC (3)
fragment_182.0725 0.018
  • Oc1cccc(c1)Cc1ccccc1 (1)
  • cc(O)cc(c)C=Cc1ccccc1 (1)
  • ccc1cocc(c1)-c1ccccc1 (1)
  • cccc(c)C=Cc1ccc(O)cc1 (1)
  • cc1cc(coc1c)-c1ccccc1 (1)
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fragment_209.0575 0.018
  • Cc1cccc2c1oc(=O)c1ccccc12 (3)
  • cc(c=O)-c1ccc2OC(C)(C)C=Cc2c1 (1)
  • O=c(c-c1ccccc1)c1ccccc1o (1)
  • ccc1c(=O)c(coc1c)-c1ccccc1 (1)
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fragment_223.0775 0.018
  • O=c1cc(-c2ccccc2)c2ccccc2o1 (3)
  • O=c1cc(-c2ccccc2)oc2ccccc12 (2)
  • COc1ccc2CCC3C=CC(=O)CC3c2c1 (1)
  • COc1cccc(c1)Cc1ccc(C=O)cc1 (1)
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fragment_193.0675 0.016
  • cc(-c1ccccc1)c1ccccc1o (2)
  • Cc1ccc(cc1)-c1ccccc1C=O (1)
  • oc1ccccc1cc-c1ccccc1 (1)
loss_102.0425 0.011
  • cc-c1ccccc1 (1)
fragment_278.0825 0.011
fragment_238.0625 0.011
  • O=c1cc(oc2ccccc12)-c1ccc(O)cc1 (1)
  • O=c1cc(oc2cc(O)ccc12)-c1ccccc1 (1)
  • O=c1oc2cc(O)ccc2cc1-c1ccccc1 (1)
  • O=c1c(coc2cc(O)ccc12)-c1ccccc1 (1)
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fragment_155.0875 0.011
  • ccccC=Cc1ccccc1 (1)
fragment_268.0725 0.010
  • COc1cc(O)c2c(=O)cc(oc2c1)-c1ccccc1 (1)
  • COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O (1)
fragment_226.0625 0.010
  • Cc1c(O)ccc2c1oc(=O)c1ccccc12 (5)
  • cc1oc(cc(=O)c1c)-c1ccc(cc1)OC (1)
  • COC1=CCC(CC1=O)c1cccc(c1)OC (1)
fragment_197.0575 0.009
  • Cc1ccc(O)c(c1)-c1ccccc1O (1)
fragment_655.4225 0.009
loss_137.0525 0.009
fragment_410.0625 0.009
fragment_296.0925 0.008
  • CNC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C (1)
  • NC(=O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1 (1)
fragment_195.0825 0.008
  • O=C1c2ccccc2Cc2ccccc21 (1)
  • COc1cccc(c1)Cc1ccccc1 (1)
  • Cc1cccc(c1)-c1cc(C)ccc1O (1)
  • cc(c)-c1ccc2OC(C)(C)C=Cc2c1 (1)
  • cc(-c1ccccc1)c1ccccc1o (1)
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fragment_169.0625 0.008
  • Oc1ccccc1-c1ccccc1 (1)
fragment_152.0625 0.007
  • c1ccc(cc1)-c1ccccc1 (2)
  • ccccC=Cc1ccccc1 (1)
  • c1ccc(cc1)c1ccccc1 (1)
fragment_141.0675 0.007
  • C=CCc1cccc(-cc)c1 (1)
  • cc(c)C=Cc1ccccc1 (1)
loss_15.0225 0.007
  • C (7)
fragment_266.1725 0.007
fragment_227.0725 0.007
  • cc(c=O)-c1cc(O)c2OC(C)(C)C=Cc2c1 (1)
  • Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1 (1)
fragment_225.0525 0.006
  • Cc1c(O)ccc2c1oc(=O)c1ccccc12 (2)
  • COc1cc(O)c(c-c2ccccc2)c(o)c1 (1)
  • ccc(c)-c1coc2cc(ccc2c1=O)OC (1)
fragment_129.0325 0.006
  • c1ccc2occcc2c1 (3)
  • O=ccc-c1ccccc1 (1)
fragment_253.0875 0.006
  • CCOc1ccc2c(oc(=O)c3ccccc32)c1C (2)
  • COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 (1)
  • COc1ccc2c(=O)c(-c3ccccc3)coc2c1 (1)
fragment_656.4325 0.006
fragment_437.1175 0.006
fragment_166.0775 0.006
  • c1ccc(cc1)Cc1ccccc1 (1)
  • cccc(c)C=Cc1ccccc1 (1)
loss_130.0625 0.005
fragment_103.0525 0.005
  • cc-c1ccccc1 (2)
  • CCc1ccccc1 (1)
  • C=Cc1ccccc1 (1)
fragment_428.0775 0.005
fragment_558.1375 0.004
fragment_279.0675 0.004
  • CNC1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)CCC(O)C12 (1)
fragment_137.0225 0.004
  • O=cc1ccc(O)cc1o (4)
  • O=coc1cccc(O)c1 (1)
  • O=cc1c(O)cccc1o (1)
  • COc1cc(O)cc(o)c1 (1)
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fragment_154.0775 0.004
  • c1ccc(cc1)-c1ccccc1 (1)
  • ccccC=Cc1ccccc1 (1)
fragment_168.0575 0.004
  • Oc1ccccc1-c1ccccc1 (1)
  • cc1cocc(c1)-c1ccccc1 (1)
  • ccccC=Cc1ccc(O)cc1 (1)
loss_96.0275 0.004
  • CCO.O.S (1)
fragment_319.1075 0.004
  • CC(C)C(C=O)N1CC(NC(=O)c2cccc3ccccc23)C1=O (1)
fragment_139.0525 0.003
  • cc(c)C=Cc1ccccc1 (1)
fragment_252.0725 0.003
  • COc1ccc2c(cc(=O)oc2c1)-c1ccccc1 (1)
fragment_115.0525 0.003
  • cc(C)c1ccccc1 (2)
  • C=CCc1ccccc1 (1)
  • cc(c)-c1ccccc1 (1)
  • cC=Cc1ccccc1 (1)
  • ccc-c1ccccc1 (1)
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fragment_552.6775 0.003
fragment_203.1175 0.003
  • CC(=O)NCCc1c[nH]c2ccccc12 (1)
loss_154.0275 0.003
fragment_382.0625 0.003
fragment_411.0625 0.003
loss_41.0425 0.003
  • ccc (2)
fragment_224.0825 0.003
  • COc1ccc2CCC3C=CC(=O)CC3c2c1 (1)
  • COc1cccc(c1)Cc1ccc(C=O)cc1 (1)
  • CCc1ccc(O)c(c1)-c1cc(C)ccc1O (1)
  • Oc1cccc2occc(-c3ccccc3)c12 (1)
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loss_146.0725 0.003
  • C.O=ccc-c1ccccc1 (1)
  • C.C.C=Cc1ccc(O)cc1 (1)
fragment_199.1425 0.003
fragment_222.0625 0.003
fragment_231.1125 0.003
fragment_177.0675 0.003
fragment_241.0775 0.003
  • O=CC1CCN(CC1)C(=O)COc1ccccc1 (1)
loss_43.0225 0.002
  • C.C.O (1)
loss_74.0025 0.002
  • O.cc(=O)o (1)
loss_87.0075 0.002
fragment_390.1675 0.002
  • O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)NCC1CCCCC1 (1)
  • O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)NCC1CCCCC1 (1)
loss_120.0225 0.002
  • O=cc1ccccc1o (2)
fragment_553.1775 0.002
fragment_184.0825 0.002
loss_136.0175 0.002
  • O=cc1ccc(O)cc1o (1)
  • O=cc1c(O)cccc1o (1)
fragment_297.0925 0.002
  • cc1ccc(cc1o)OCC(=O)NCC1CCC(C=O)CC1 (1)
fragment_241.0375 0.002
fragment_350.1375 0.002
fragment_194.0725 0.002
  • Cc1cccc(c1)-c1cc(C)ccc1O (1)
  • Oc1ccc(C=Cc2ccccc2)cc1 (1)
  • cc(-c1ccccc1)c1ccccc1o (1)
fragment_167.0875 0.002
  • cccc(c)C=Cc1ccccc1 (1)
fragment_279.0825 0.002
  • O=CCN1CC(NC(=O)c2cccc3ccccc23)C1=O (1)
fragment_412.0575 0.002
fragment_552.1675 0.002
fragment_196.0525 0.001
  • ccc1cocc(-c2ccccc2)c1=O (1)
loss_100.0175 0.001
loss_86.0025 0.001
fragment_438.1175 0.001
fragment_557.2025 0.001
fragment_267.1725 0.001
fragment_322.1425 0.001
loss_118.0275 0.001
fragment_199.0775 0.001
  • cc-c1cc(O)c2OC(C)(C)C=Cc2c1 (1)
fragment_559.1375 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Organic oxygen compound 43 91.5 69.8 21.7
Hydrocarbon derivative 43 91.5 78.1 13.4
Organooxygen compound 43 91.5 68.4 23.1
Organic oxide 39 83.0 62.0 21.0
Organoheterocyclic compound 33 70.2 38.0 32.2
Aromatic heteropolycyclic compound 33 70.2 40.3 29.9
Heteroaromatic compound 33 70.2 36.8 33.4
Benzenoid 32 68.1 45.0 23.1
Oxacycle 29 61.7 27.5 34.2
Benzopyran 28 59.6 10.7 48.8
Pyranone 28 59.6 10.1 49.5
Pyran 28 59.6 10.7 48.9
1-benzopyran 28 59.6 10.7 48.9
Alkyl aryl ether 27 57.4 24.7 32.7
Ether 27 57.4 30.9 26.5
Monocyclic benzene moiety 23 48.9 26.6 22.3
Organic nitrogen compound 23 48.9 60.8 11.9
Organonitrogen compound 23 48.9 60.8 11.8
Organopnictogen compound 19 40.4 46.6 6.2
Monocarboxylic acid or derivatives 17 36.2 19.7 16.5
Carbonyl group 17 36.2 41.3 5.1
Carboxylic acid derivative 17 36.2 35.2 1.0
Carboxylic acid 16 34.0 13.3 20.8
Carboxamide group 15 31.9 24.1 7.8
Lactone 15 31.9 12.7 19.2
Azacycle 14 29.8 46.4 16.6
Coumarin 14 29.8 5.6 24.2
Chromone 13 27.7 3.1 24.5
1-hydroxy-2-unsubstituted benzenoid 12 25.5 8.9 16.7
Anisole 11 23.4 13.4 10.0
Secondary carboxylic acid amide 11 23.4 15.3 8.1
Phenol ether 9 19.1 13.0 6.2
Phenol 8 17.0 6.8 10.2
2-benzopyran 8 17.0 0.7 16.3
Isocoumarin 8 17.0 0.6 16.5
Flavone 7 14.9 1.3 13.6
N-acyl-alpha-amino acid 7 14.9 4.4 10.5
N-acyl-alpha amino acid or derivatives 7 14.9 6.4 8.5
Methoxybenzene 6 12.8 7.9 4.9
Phenoxy compound 6 12.8 11.4 1.4
Amine 5 10.6 25.0 14.4
Isoflavone 5 10.6 0.4 10.3
4-phenylcoumarin 5 10.6 0.7 10.0
Alpha-amino acid or derivatives 5 10.6 9.6 1.0
3-alkylindole 5 10.6 4.9 5.8
Substituted pyrrole 5 10.6 3.9 6.8
Pyrrole 5 10.6 7.6 3.0
Indole 5 10.6 6.9 3.8
1-hydroxy-4-unsubstituted benzenoid 4 8.5 5.3 3.2
Tertiary carboxylic acid amide 4 8.5 12.0 3.4
Benzoyl 4 8.5 7.2 1.3
Benzoic acid or derivatives 4 8.5 3.3 5.2
Azole 4 8.5 8.1 0.4
Biphenyl 4 8.5 0.7 7.9
Secondary alcohol 3 6.4 14.3 7.9
Alcohol 3 6.4 18.9 12.6
Hydroxyflavonoid 3 6.4 1.9 4.5
Piperidine 3 6.4 9.4 3.0
3-phenylpropanoic-acid 3 6.4 1.4 4.9
Phenylalanine or derivatives 3 6.4 1.6 4.8
Amphetamine or derivatives 3 6.4 2.8 3.6
Imidazole 3 6.4 4.0 2.3
N-substituted imidazole 3 6.4 3.2 3.2
Benzoic acid 3 6.4 1.3 5.1
Benzimidazole 3 6.4 0.9 5.5
Aromatic heteromonocyclic compound 3 6.4 14.3 7.9
Ketone 3 6.4 11.9 5.5
Aromatic homopolycyclic compound 3 6.4 2.3 4.0
Aralkylamine 3 6.4 10.5 4.1
Aromatic homomonocyclic compound 3 6.4 9.6 3.2
Hydroxyindole 3 6.4 0.6 5.8
N-acylserotonin 3 6.4 0.4 6.0
Indole or derivatives 3 6.4 5.0 1.4
Vinylogous acid 2 4.3 5.4 1.1
4p-methoxyflavonoid-skeleton 2 4.3 0.5 3.8
N-acyl-piperidine 2 4.3 3.4 0.8
7-o-methylisoflavone 2 4.3 0.1 4.2
Organohalogen compound 2 4.3 14.1 9.8
Organochloride 2 4.3 8.7 4.4
Aryl ketone 2 4.3 4.6 0.3
Naphthalene 2 4.3 1.9 2.3
Styrene 2 4.3 1.8 2.5
Tertiary amine 2 4.3 14.6 10.3
Tertiary aliphatic amine 2 4.3 13.7 9.5
Organic salt 1 2.1 0.7 1.4
Phosphoric acid ester 1 2.1 0.6 1.5
Fatty acid ester 1 2.1 2.5 0.4
Carboxylic acid ester 1 2.1 13.9 11.8
Phosphocholine 1 2.1 0.1 2.0
Tetraalkylammonium salt 1 2.1 0.3 1.8
Dialkyl phosphate 1 2.1 0.5 1.7
Organic phosphoric acid derivative 1 2.1 0.8 1.3
Fatty acyl 1 2.1 5.9 3.8
Organic cation 1 2.1 0.6 1.6
Quaternary ammonium salt 1 2.1 0.4 1.7
Alkyl phosphate 1 2.1 0.6 1.5
Aliphatic acyclic compound 1 2.1 1.9 0.2
1-acyl-sn-glycero-3-phosphocholine 1 2.1 0.1 2.1
5-hydroxyflavonoid 1 2.1 1.6 0.5
Lactam 1 2.1 10.3 8.2
Pyrimidone 1 2.1 2.1 0.0
Hydroxypyrimidine 1 2.1 0.4 1.8
Monohydroxyflavonoid 1 2.1 0.0 2.1
4'-hydroxyflavonoid 1 2.1 1.2 0.9
Piperidinecarboxamide 1 2.1 2.0 0.1
Primary carboxylic acid amide 1 2.1 1.3 0.8
Halobenzene 1 2.1 6.1 4.0
Aryl chloride 1 2.1 7.2 5.1
Chlorobenzene 1 2.1 4.2 2.0
Aryl halide 1 2.1 10.8 8.7
5-methoxyflavonoid-skeleton 1 2.1 0.2 1.9
Vinylogous ester 1 2.1 1.7 0.4
7-methoxyflavonoid-skeleton 1 2.1 0.4 1.7
7-hydroxyflavonoid 1 2.1 1.4 0.7
Piperidinecarboxylic acid 1 2.1 1.2 0.9
3-hydroxyflavone 1 2.1 0.2 1.9
3-hydroxyflavonoid 1 2.1 0.4 1.7
Alkyl halide 1 2.1 3.3 1.2
Pyrazole 1 2.1 0.4 1.7
Xylene 1 2.1 0.8 1.3
Alkyl chloride 1 2.1 1.2 0.9
Chloroacetamide 1 2.1 0.1 2.0
M-xylene 1 2.1 0.7 1.4
Anilide 1 2.1 1.6 0.5
Isoflav-3-enone skeleton 1 2.1 0.1 2.1
Quinone 1 2.1 0.5 1.7
O-quinone 1 2.1 0.1 2.1
Phenanthraquinone 1 2.1 0.0 2.1
Hydrophenanthrene 1 2.1 0.1 2.1
Alpha-amino acid 1 2.1 0.6 1.6
C-nitro compound 1 2.1 1.3 0.8
Organic oxoazanium 1 2.1 1.3 0.8
Amino acid 1 2.1 2.9 0.8
Organic 1,3-dipolar compound 1 2.1 9.9 7.8
Propargyl-type 1,3-dipolar organic compound 1 2.1 9.9 7.8
Organic nitro compound 1 2.1 1.4 0.8
Organic zwitterion 1 2.1 1.1 1.0
Allyl-type 1,3-dipolar organic compound 1 2.1 1.4 0.7
Nitrophenol 1 2.1 0.1 2.0
Primary aliphatic amine 1 2.1 2.8 0.7
Tyrosine or derivatives 1 2.1 0.1 2.0
Nitroaromatic compound 1 2.1 1.1 1.1
Primary amine 1 2.1 6.3 4.2
Nitrobenzene 1 2.1 0.7 1.4
Stilbene 1 2.1 0.4 1.7
Dimethoxybenzene 1 2.1 1.7 0.4
M-dimethoxybenzene 1 2.1 0.6 1.6
Cyclohexenone 1 2.1 2.3 0.2
Morphinan 1 2.1 0.1 2.0
Phenanthrene 1 2.1 1.0 1.1
Benzazocine 1 2.1 0.0 2.1
Tetralin 1 2.1 1.5 0.6
Isoquinolone 1 2.1 0.4 1.7
Cyclic ketone 1 2.1 5.2 3.1
Serotonin 1 2.1 0.1 2.0
Anthracene 1 2.1 0.3 1.8
4p-o-methylisoflavone 1 2.1 0.2 2.0
Glycosyl compound 1 2.1 2.4 0.2
Acetal 1 2.1 4.4 2.3
Hexose monosaccharide 1 2.1 0.7 1.4
Polyol 1 2.1 4.9 2.7
O-glycosyl compound 1 2.1 1.7 0.4
Stilbene glycoside 1 2.1 0.0 2.1
Monosaccharide 1 2.1 2.8 0.7
Oxane 1 2.1 3.4 1.3
Phenolic glycoside 1 2.1 0.6 1.5
Primary alcohol 1 2.1 5.5 3.4
Secondary aliphatic amine 1 2.1 4.4 2.2
Secondary amine 1 2.1 5.3 3.1
1,2-aminoalcohol 1 2.1 3.3 1.2
Hydroxyisoflavonoid 1 2.1 0.2 1.9
Pyranoisoflavonoid 1 2.1 0.1 2.0
2,2-dimethyl-1-benzopyran 1 2.1 1.5 0.6
Amino acid or derivatives 1 2.1 10.7 8.6
Piperazine 1 2.1 2.9 0.7
1,4-diazinane 1 2.1 2.9 0.7
Diphenylmethane 1 2.1 2.1 0.1
Benzamide 1 2.1 1.8 0.4
N-alkylpiperazine 1 2.1 3.1 1.0
7-hydroxycoumarin 1 2.1 0.2 1.9

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 spectraPrecursor MassParent massAnnotationProbabilityOverlap Score
CCMSLIB00000579766.ms 223.0754 223.0754 Flavone M+H 1.000 0.018
CCMSLIB00000479320.ms 522.3554 522.3554 1,2-Dierucoyl-sn-glycero-3-phosphocholine M+H 0.948 0.002
CCMSLIB00000079818.ms 239.0703 239.0703 MLS002639146-01!5-hydroxy-2-phenylchromen-4-one M+H 0.814 0.311
CCMSLIB00000078635.ms 415.1322 415.1322 Nafcillin Sodium [M+H] 0.546 0.025
CCMSLIB00000579760.ms 235.1441 235.1441 0348_Lenacil M+H 0.474 0.021
CCMSLIB00000085356.ms 281.1172 281.1172 MLS001146879-01!35212-22-7 M+H 0.456 0.398
CCMSLIB00000079859.ms 239.0703 239.0703 MLS001049036-01!2-(4-hydroxyphenyl)chromen-4-one M+H 0.454 0.309
CCMSLIB00000078937.ms 281.1172 281.1172 35212-22-7 [M+H] 0.436 0.305
CCMSLIB00000080246.ms 253.0859 253.0859 MLS000863607-01! M+H 0.416 0.060
CCMSLIB00000079606.ms 436.1755 436.1755 MLS001140969-01!4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid M+H 0.399 0.324
CCMSLIB00000080397.ms 223.0754 223.0754 MLS002177804-01! M+H 0.373 0.037
CCMSLIB00000080285.ms 395.1601 395.1601 MLS001140565-01!1-[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]piperidine-4-carboxamide M+H 0.372 0.403
CCMSLIB00000080189.ms 239.0703 239.0703 MLS002695239-01!7-hydroxy-2-phenylchromen-4-one M+H 0.367 0.230
CCMSLIB00000079475.ms 432.1442 432.1442 MLS001159064-01!(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-phenylpropanoic acid M+H 0.351 0.172
CCMSLIB00000079146.ms 515.2442 515.2442 Telmisartan aka 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid M+H 0.329 0.052
CCMSLIB00000079860.ms 253.0859 253.0859 MLS001049012-01!7-methoxy-3-phenylchromen-4-one M+H 0.319 0.221
CCMSLIB00000080069.ms 466.1052 466.1052 MLS001159063-01!3-(4-chlorophenyl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid M+H 0.313 0.354
CCMSLIB00000079852.ms 283.0965 283.0965 MLS001049094-01! M+H 0.275 0.299
CCMSLIB00000080552.ms 424.1755 424.1755 MLS001157807-01!4-[[2-(6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid M+H 0.257 0.308
CCMSLIB00000080254.ms 269.0808 269.0808 MLS002707301-01!7-hydroxy-2-(4-methoxyphenyl)chromen-4-one M+H 0.234 0.021
CCMSLIB00000079456.ms 239.0703 239.0703 MLS001049140-01!7-hydroxy-3-phenylchromen-4-one M+H 0.213 0.228
CCMSLIB00000080368.ms 396.1442 396.1442 MLS001141237-01!1-[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]piperidine-4-carboxylic acid M+H 0.210 0.243
CCMSLIB00000079401.ms 239.0703 239.0703 MLS002207277-01!3-hydroxy-2-phenylchromen-4-one M+H 0.184 0.209
CCMSLIB00000579689.ms 278.1055 278.1055 Metazachlor M+H 0.160 0.036
CCMSLIB00000079687.ms 436.1755 436.1755 MLS001140958-01!4-[[[2-(2-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid M+H 0.141 0.160
CCMSLIB00000085760.ms 209.0597 209.0597 MLS000571180-01!Phenanthraquinone M+H 0.127 0.107
CCMSLIB00000579703.ms 227.0662 227.0662 3-nitrotyrosine M+H 0.122 0.085
CCMSLIB00000080169.ms 257.1172 257.1172 "MLS000863581-01!4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol" M+H 0.111 0.304
CCMSLIB00000085494.ms 330.1700 330.1700 MLS002207021-01!Sinomenine115-53-7 M+H 0.108 0.512
CCMSLIB00000080448.ms 499.1500 499.1500 MLS001140964-01!(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid M+H 0.103 0.306
CCMSLIB00000579754.ms 195.0804 195.0804 Anthrone M+H 0.101 0.011
CCMSLIB00000079486.ms 267.1380 267.1380 MLS001048917-01!2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol M+H 0.096 0.221
CCMSLIB00000079367.ms 438.1911 438.1911 MLS001140981-01!4-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid M+H 0.096 0.163
CCMSLIB00000080391.ms 483.1551 483.1551 MLS001075310-01!(2R)-3-(1H-indol-3-yl)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid M+H 0.092 0.287
CCMSLIB00000080300.ms 283.0965 283.0965 MLS002695973-01! M+H 0.085 0.440
CCMSLIB00000079427.ms 501.1656 501.1656 MLS001157908-01!3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]propanoic acid M+H 0.080 0.115
CCMSLIB00000085639.ms 443.1449 443.1449 MLS002222335-01!3963-95-9 M+H 0.073 0.302
CCMSLIB00000085693.ms 405.1544 405.1544 MLS002207168-01!Deoxyrhapontin from rhubarb root30197-14-9 M+H 0.067 0.173
CCMSLIB00000078648.ms 260.1645 260.1645 Propranolol HCl [M+H] 0.065 0.042
CCMSLIB00000080538.ms 353.1020 353.1020 MLS000697602-01! M+H 0.064 0.091
CCMSLIB00000579783.ms 515.2442 515.2442 Telmisartan M+H 0.062 0.067
CCMSLIB00000080584.ms 531.1762 531.1762 MLS001140855-01!(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]propanoic acid M+H 0.061 0.271
CCMSLIB00000080177.ms 497.1707 497.1707 MLS001141003-01!(2R)-3-(1H-indol-3-yl)-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]propanoic acid M+H 0.061 0.266
CCMSLIB00000085438.ms 450.3115 450.3115 MLS002153330-01!SNC80156727-74-1 M+H 0.061 0.132
CCMSLIB00000079564.ms 283.0965 283.0965 "MLS001049018-01!5,7-dimethoxy-4-phenylchromen-2-one" M+H 0.059 0.311
CCMSLIB00000005935.ms 515.2442 515.2442 Telmisartan M+H 0.055 0.052
CCMSLIB00000078780.ms 307.0601 307.0601 "NCGC00160336-01!7'-Hydroxy-[3,4']bichromenyl-2,2'-dione" M+H 0.051 0.441

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.

Result goes here: