Mass2Motif: motif_9

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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: Isopropyl/propylamine substructure (loss based) or isopropyl/propyl side chain

Short Annotation: Isopropyl/propylamine substructure (loss based) or isopropyl/propyl side chain

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 0.9999999999999997. 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_42.0475 0.216
  • CCC (27)
  • C=CC (3)
  • C.C=C (1)
fragment_229.0475 0.102
  • O=C1OCC2Cc3cc4OCOc4cc3CC12 (3)
  • CCc1c2occc2c(O)c2ccc(=O)oc12 (1)
  • Oc1cccc(c1)oc-c1ccc(O)c(O)c1 (1)
  • CCc1cc2OCOc2c(OC)c1C=CC=O (1)
  • OCC(O)C1CCOC(O1)c1cccs1 (1)
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loss_84.0925 0.091
  • CCC.CCC (7)
  • CCC=C(C)C (3)
  • C.C=CC(C)C (2)
  • C=CCC.CC (1)
  • CC.CC.CC (1)
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  • CCCCCC (1)
  • C=CCCCC (1)
fragment_185.0575 0.046
  • C=CC(C)c1ccc(O)c2ccoc12 (1)
  • O=C1OCC2Cc3ccccc3CC12 (1)
  • CC1CCOC(O1)c1cccs1 (1)
loss_101.1225 0.030
  • CCCNCCC (3)
  • CCC.CCCn (2)
  • CC(C)NC(C)C (1)
fragment_157.0775 0.029
  • c1ccc(-c2ccccn2)nc1 (1)
fragment_244.0625 0.028
  • CCCNS(=O)(=O)c1ccc(cc1)C(=O)O (2)
  • O=c1nc(=O)c2[nH]c(nc2n1)-c1ccc(O)cc1 (1)
fragment_202.0175 0.022
  • NS(=O)(=O)c1ccc(cc1)C(=O)O (2)
fragment_184.9925 0.021
  • O=C(O)c1ccc(cc1)[SH](=O)=O (1)
fragment_286.1125 0.020
  • CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1 (2)
fragment_149.0325 0.016
loss_137.0775 0.016
loss_176.0175 0.014
fragment_347.1025 0.014
  • CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] (1)
fragment_395.1475 0.014
  • C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2 (1)
fragment_300.1225 0.014
  • C[NH+]1CCC23c4c5ccc([O-])c4OC2C(=O)CCC3(O)C1C5 (1)
fragment_121.0275 0.014
loss_110.1125 0.012
  • C=CC(C)C.CCC (1)
fragment_285.0375 0.012
  • C=Cc1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O (1)
fragment_291.0875 0.011
  • CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 (1)
fragment_242.0575 0.009
loss_44.0525 0.009
loss_41.0425 0.009
  • C.cc (4)
  • ccc (3)
  • C=CC (2)
  • ccC (2)
  • CCC (2)
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fragment_173.0575 0.007
  • ccc1ccc2oc(=O)ccc2c1 (1)
  • c1c2CCCCc2cc2OCOc12 (1)
fragment_353.1025 0.007
  • C=Cc1c(O)c(c2oc3c(O)c(O)ccc3c(=O)c2c1O)C(C)(C)C=C (1)
fragment_339.0875 0.007
fragment_216.1025 0.007
  • CCNc1nc(Cl)nc(NC(C)C)n1 (1)
fragment_301.1325 0.006
loss_41.0375 0.006
fragment_383.1125 0.006
  • COc1cc(cc(OC)c1O)C1c2cc3OCOc3cc2CC2COC(=O)C21 (1)
loss_96.0925 0.006
  • C=C.C=CC(C)C (1)
fragment_299.0525 0.005
  • CC(C)c1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 (1)
loss_126.0675 0.005
fragment_186.0625 0.005
loss_60.0575 0.005
  • CCC.O (3)
  • C=CC.O (2)
  • CCC.[OH-] (1)
  • CC(C)O (1)
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loss_54.0475 0.004
  • CC(C)C (1)
fragment_341.1025 0.004
fragment_247.0575 0.004
loss_148.0025 0.004
loss_98.1125 0.004
  • C.CCC=C(C)C (2)
  • C=C.C=CC(C)C (1)
  • C=CCCCCC (1)
fragment_185.0975 0.004
fragment_311.0525 0.004
  • CC1C=Cc2c(cc3oc4c(O)c(O)ccc4c(=O)c3c2O)O1 (1)
fragment_297.0425 0.004
fragment_396.1475 0.003
fragment_365.1025 0.003
  • C=CC(C)c1c2OC(C)C=Cc2c(O)c2c(=O)c3ccc(O)c(O)c3oc12 (1)
loss_169.1125 0.003
fragment_288.0275 0.003
  • CCCNc1c(cc(cc1[N+](=O)[O-])[SH](=O)=O)[N+](=O)[O-] (1)
fragment_203.0925 0.003
loss_100.0875 0.003
  • CCC.CCC.[OH-] (1)
fragment_200.1175 0.003
loss_109.1075 0.003
  • C=CC(C)C.CCC (1)
loss_99.0775 0.003
fragment_243.0925 0.003
loss_132.9775 0.003
fragment_305.0525 0.003
fragment_286.0475 0.003
fragment_293.0825 0.003
loss_83.0925 0.003
  • C.C=CC(C)C (2)
  • CCC=C(C)C (1)
  • C=CCC.CC (1)
loss_139.0775 0.003
fragment_129.0425 0.003
fragment_199.0375 0.003
  • COc1cccc(c1)CC1CCOC1=O (1)
fragment_287.1175 0.002
loss_30.0475 0.002
  • CC (1)
  • C.C (1)
fragment_335.0925 0.002
  • C=Cc1cc(c2oc3c(O)c(O)ccc3c(=O)c2c1O)C(C)(C)C=C (1)
loss_165.0775 0.002
fragment_282.1125 0.002
  • C[NH+]1CCC23c4c5ccc([O-])c4OC2C(=O)CCC3C1C5 (1)
fragment_272.1275 0.002
  • O=C1CCC2(O)C3Cc4cccc5OC1C2(CC[NH2+]3)c45 (1)
fragment_198.0175 0.002
loss_70.0775 0.002
  • C=CC(C)C (2)
  • CCCCC (1)
  • C=CCCC (1)
  • CC.CCC (1)
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loss_171.1275 0.002
  • CC(C)(C)c(n)oc=O.CCC (1)
fragment_245.9775 0.002
fragment_324.0625 0.002
  • C=Cc1c(O)c(c2oc3c(O)c(O)ccc3c(=O)c2c1O)C(C)C (1)
loss_72.0925 0.002
  • C=C.CCC (1)
loss_98.0975 0.002
fragment_323.0575 0.002
loss_154.0625 0.002
fragment_325.0675 0.002
  • CC1(C)C=Cc2c(cc3oc4c(O)c(O)ccc4c(=O)c3c2O)O1 (1)
loss_40.0475 0.002
fragment_247.0175 0.002
loss_104.0825 0.002
loss_122.1075 0.002
  • CC(C)=CCCC(C)C (1)
fragment_171.0425 0.002
  • cccN(C(=O)CCl)C(C)C (1)
fragment_273.0375 0.002
  • Cc1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O (1)
loss_88.0875 0.002
  • CC.CCC.[OH-] (1)
loss_98.0725 0.002
loss_71.0875 0.002
  • C=C.CCC (1)
fragment_246.0625 0.002
fragment_354.1025 0.002
  • C=Cc1c(O)c(c2oc3c(O)c(O)ccc3c(=O)c2c1O)C(C)(C)C=C (1)
fragment_100.1125 0.002
  • CCCNCCC (2)
fragment_257.0425 0.002
  • Cc1ccc2oc3c(O)c(O)ccc3c(=O)c2c1O (1)
loss_117.0925 0.002
fragment_245.0675 0.002
  • O=c1nc(=O)c2[nH]c(nc2n1)-c1ccc(O)cc1 (1)
  • CCCN(CC)S(=O)(=O)ccccC(=O)O (1)
fragment_240.0575 0.002
loss_185.9975 0.001
  • O=C(O)c1ccc(cc1)[SH](=O)=O (2)
fragment_243.0175 0.001
loss_107.0375 0.001
fragment_309.0725 0.001
  • C=CC(C)(C)c1ccc(O)c2c(=O)c3ccc(O)c(O)c3oc12 (1)
fragment_230.0525 0.001
  • O=C1OCC2Cc3cc4OCOc4cc3CC12 (2)
  • Oc1cccc(c1)oc-c1ccc(O)c(O)c1 (1)
fragment_259.0175 0.001
fragment_263.0075 0.001
  • Nc1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-] (1)
fragment_377.1375 0.001
  • C=CC(C)(C)c1c2OC(C)(C)C=Cc2cc2c(=O)c3ccc(O)c(O)c3oc12 (1)
fragment_384.1125 0.001
  • COc1cc(cc(OC)c1O)C1c2cc3OCOc3cc2CC2COC(=O)C21 (1)
loss_46.0425 0.001
fragment_321.0775 0.001
loss_18.0125 0.001
  • O (4)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 43 82.7 78.1 4.6
Organic oxygen compound 39 75 69.8 5.2
Organooxygen compound 37 71.2 68.4 2.8
Organic oxide 32 61.5 62.0 0.5
Organic nitrogen compound 28 53.8 60.8 7.0
Organonitrogen compound 28 53.8 60.8 6.9
Organopnictogen compound 25 48.1 46.6 1.5
Benzenoid 20 38.5 45.0 6.5
Aromatic heteropolycyclic compound 20 38.5 40.3 1.8
Carbonyl group 18 34.6 41.3 6.7
Heteroaromatic compound 18 34.6 36.8 2.2
Carboxylic acid derivative 17 32.7 35.2 2.5
Azacycle 17 32.7 46.4 13.7
Ether 16 30.8 30.9 0.2
Oxacycle 15 28.8 27.5 1.3
Alkyl aryl ether 14 26.9 24.7 2.2
Monocyclic benzene moiety 12 23.1 26.6 3.6
Organoheterocyclic compound 12 23.1 38.0 15.0
Aromatic homomonocyclic compound 11 21.2 9.6 11.6
Monocarboxylic acid or derivatives 8 15.4 19.7 4.3
Phenoxy compound 8 15.4 11.4 4.0
Phenol ether 8 15.4 13.0 2.4
Carboxamide group 8 15.4 24.1 8.7
Benzopyran 8 15.4 10.7 4.6
1-benzopyran 8 15.4 10.7 4.7
Carboxylic acid ester 7 13.5 13.9 0.5
Alcohol 7 13.5 18.9 5.5
Phenol 7 13.5 6.8 6.6
Anisole 7 13.5 13.4 0.0
Lactone 7 13.5 12.7 0.8
Organohalogen compound 7 13.5 14.1 0.6
Tertiary carboxylic acid amide 7 13.5 12.0 1.5
Gamma butyrolactone 6 11.5 1.0 10.5
Acetal 6 11.5 4.4 7.1
Methoxybenzene 6 11.5 7.9 3.7
Benzodioxole 6 11.5 1.2 10.3
Amine 6 11.5 25.0 13.5
Organochloride 6 11.5 8.7 2.9
Podophyllotoxin 5 9.6 0.2 9.5
Secondary alcohol 5 9.6 14.3 4.7
1-aryltetralin lignan 5 9.6 0.2 9.4
Tetralin 5 9.6 1.5 8.1
Linear furanonaphthodioxole 5 9.6 0.2 9.5
Oxane 5 9.6 3.4 6.2
Oxolane 5 9.6 2.2 7.4
Naphthofuran 5 9.6 0.5 9.1
Pyran 5 9.6 10.7 1.1
Aryl halide 5 9.6 10.8 1.2
Lactam 5 9.6 10.3 0.7
1-hydroxy-2-unsubstituted benzenoid 5 9.6 8.9 0.7
Aromatic heteromonocyclic compound 5 9.6 14.3 4.6
Methoxyphenol 4 7.7 1.4 6.3
Meta-dioxane 4 7.7 0.2 7.5
Dimethoxybenzene 4 7.7 1.7 6.0
Monosaccharide 4 7.7 2.8 4.9
M-dimethoxybenzene 4 7.7 0.6 7.1
1,2-diol 4 7.7 0.8 6.9
Pyranodioxin 4 7.7 0.2 7.5
Carboxylic acid 4 7.7 13.3 5.6
Benzoyl 4 7.7 7.2 0.4
Organosulfur compound 4 7.7 7.6 0.1
Tertiary amine 4 7.7 14.6 6.9
Aryl chloride 4 7.7 7.2 0.5
Urea 4 7.7 2.8 4.9
Vinylogous amide 4 7.7 4.9 2.8
Carbazole 4 7.7 0.8 6.9
Pyrrole 4 7.7 7.6 0.1
Indole 4 7.7 6.9 0.8
Pyranone 4 7.7 10.1 2.4
Benzenesulfonamide 3 5.8 1.9 3.9
Organosulfonic acid amide 3 5.8 2.6 3.2
Benzoic acid or derivatives 3 5.8 3.3 2.5
Aminosulfonyl compound 3 5.8 3.1 2.6
Organosulfonic acid or derivatives 3 5.8 3.6 2.2
Benzoic acid 3 5.8 1.3 4.5
Sulfonyl 3 5.8 4.0 1.8
Organic sulfonic acid or derivatives 3 5.8 3.6 2.2
Benzenesulfonyl group 3 5.8 2.7 3.1
Organic 1,3-dipolar compound 3 5.8 9.9 4.2
Propargyl-type 1,3-dipolar organic compound 3 5.8 9.9 4.1
Carbonic acid derivative 3 5.8 2.6 3.2
Ketone 3 5.8 11.9 6.1
Toluene 3 5.8 2.3 3.4
Cumene 3 5.8 0.2 5.5
Chromone 3 5.8 3.1 2.6
Pyrimidine 3 5.8 4.5 1.3
Aliphatic heteromonocyclic compound 3 5.8 2.2 3.6
Secondary carboxylic acid amide 3 5.8 15.3 9.5
Tertiary aliphatic amine 3 5.8 13.7 7.9
Organic zwitterion 2 3.8 1.1 2.7
Allyl-type 1,3-dipolar organic compound 2 3.8 1.4 2.4
Tertiary alcohol 2 3.8 5.5 1.7
Furan 2 3.8 2.2 1.7
Cyclic alcohol 2 3.8 5.3 1.4
Dicarboxylic acid or derivatives 2 3.8 4.2 0.3
N-phenylurea 2 3.8 0.4 3.4
Aryl ketone 2 3.8 4.6 0.7
Indole or derivatives 2 3.8 5.0 1.1
Alkyl halide 2 3.8 3.3 0.5
Alkyl chloride 2 3.8 1.2 2.6
Chloroacetamide 2 3.8 0.1 3.7
Anilide 2 3.8 1.6 2.2
Aliphatic acyclic compound 2 3.8 1.9 1.9
Isoflavone 2 3.8 0.4 3.5
Hydroxyindole 2 3.8 0.6 3.3
Chloro-s-triazine 2 3.8 0.1 3.7
Azole 2 3.8 8.1 4.2
Pyrimidone 2 3.8 2.1 1.8
N-acyl-amine 2 3.8 2.3 1.6
1,3,5-triazine 2 3.8 0.3 3.5
Secondary aliphatic/aromatic amine 2 3.8 1.4 2.5
N-aliphatic s-triazine 2 3.8 0.3 3.6
Primary aromatic amine 2 3.8 3.3 0.6
2,4-diamine-s-triazine 2 3.8 0.1 3.7
Primary amine 2 3.8 6.3 2.5
Phenylpropane 2 3.8 1.6 2.2
Alpha-amino acid or derivatives 2 3.8 9.6 5.8
Pyrrolidine 2 3.8 5.8 2.0
Aralkylamine 2 3.8 10.5 6.6
Diphenylmethane 2 3.8 2.1 1.8
P-cresol 2 3.8 0.1 3.7
Thiophene 1 1.9 0.8 1.1
Aminobenzenesulfonamide 1 1.9 0.6 1.4
C-nitro compound 1 1.9 1.3 0.6
Organic oxoazanium 1 1.9 1.3 0.6
Dinitroaniline 1 1.9 0.0 1.9
Organic nitro compound 1 1.9 1.4 0.6
Tertiary aliphatic/aromatic amine 1 1.9 2.2 0.3
Nitroaromatic compound 1 1.9 1.1 0.8
Dialkylarylamine 1 1.9 3.4 1.5
Nitrobenzene 1 1.9 0.7 1.2
Tetrahydrofuran 1 1.9 0.8 1.1
Caprolactone 1 1.9 0.1 1.9
Furopyran 1 1.9 0.1 1.9
Oxepane 1 1.9 0.3 1.6
Dialkyl ether 1 1.9 7.7 5.8
Aliphatic heteropolycyclic compound 1 1.9 3.5 1.6
Oxirane 1 1.9 1.2 0.8
Halobenzene 1 1.9 6.1 4.2
Chlorobenzene 1 1.9 4.2 2.3
Diphenylether 1 1.9 0.3 1.6
Diaryl ether 1 1.9 0.8 1.1
M-methoxybenzoic acid or derivatives 1 1.9 0.5 1.4
Acryloyl-group 1 1.9 0.7 1.3
Alpha,beta-unsaturated ketone 1 1.9 0.7 1.3
Enone 1 1.9 0.7 1.3
Trialkyl phosphate 1 1.9 0.1 1.8
1-benzothiopyran 1 1.9 0.1 1.9
Benzothiopyran 1 1.9 0.1 1.9
Thiochromene 1 1.9 0.0 1.9
Imidazole 1 1.9 4.0 2.1
N-substituted imidazole 1 1.9 3.2 1.3
Alkaloid or derivatives 1 1.9 1.1 0.8
6-oxopurine 1 1.9 0.5 1.5
Purinone 1 1.9 0.4 1.5
Xanthine 1 1.9 0.4 1.5
Meta-thiazoline 1 1.9 0.5 1.5
Halo-s-triazine 1 1.9 0.1 1.9
Alkylarylthioether 1 1.9 0.7 1.3
Aminotriazine 1 1.9 0.3 1.6
Aryl thioether 1 1.9 1.3 0.6
Alkyl-2-thio-s-triazine 1 1.9 0.1 1.8
Sulfenyl compound 1 1.9 2.7 0.8
Methylthio-s-triazine 1 1.9 0.1 1.8
Amino-1,3,5-triazine 1 1.9 0.2 1.7
Thioether 1 1.9 3.2 1.3
Aniline or substituted anilines 1 1.9 3.6 1.6
Pyrrolidone 1 1.9 1.1 0.9
N-alkylpyrrolidine 1 1.9 2.2 0.3
2-pyrrolidone 1 1.9 1.0 0.9
3-alkylindole 1 1.9 4.9 3.0
Piperazine 1 1.9 2.9 1.0
2,5-dioxopiperazine 1 1.9 0.5 1.5
1,4-diazinane 1 1.9 2.9 1.0
Pyrroloquinoline 1 1.9 0.3 1.6
Isoquinolone 1 1.9 0.4 1.5
Indolizidine 1 1.9 0.3 1.6
Piperidine 1 1.9 9.4 7.4
N-alkylpiperazine 1 1.9 3.1 1.2
Dioxopiperazine 1 1.9 0.5 1.5
Delta-lactam 1 1.9 0.4 1.5
2,2-dimethyl-1-benzopyran 1 1.9 1.5 0.4
Azaspirodecane 1 1.9 0.2 1.7
Piperidinone 1 1.9 0.4 1.5
5-hydroxypsoralen 1 1.9 0.0 1.9
Benzofuran 1 1.9 1.8 0.1
Vinylogous acid 1 1.9 5.4 3.5
1-hydroxy-4-unsubstituted benzenoid 1 1.9 5.3 3.4
3'-hydroxyflavonoid 1 1.9 0.5 1.4
Polyol 1 1.9 4.9 2.9
3-hydroxyflavone 1 1.9 0.2 1.7
4'-hydroxyflavonoid 1 1.9 1.2 0.7
Catechol 1 1.9 0.8 1.1
3-hydroxyflavonoid 1 1.9 0.4 1.5
5-hydroxyflavonoid 1 1.9 1.6 0.3
Hydroxyflavonoid 1 1.9 1.9 0.1
7-hydroxyflavonoid 1 1.9 1.4 0.5
Cyclohexenone 1 1.9 2.3 0.4
Hydroxysteroid 1 1.9 2.3 0.4
Oxosteroid 1 1.9 3.9 1.9
Estrogen-skeleton 1 1.9 0.4 1.6
17-hydroxysteroid 1 1.9 1.7 0.2
3-oxosteroid 1 1.9 3.3 1.4
Cyclic ketone 1 1.9 5.2 3.3
Aliphatic homopolycyclic compound 1 1.9 3.7 1.7
Phenylpyrazole 1 1.9 0.2 1.7
Pyrazolinone 1 1.9 0.1 1.8
Carboxylic acid amidine 1 1.9 0.9 1.0
Imidolactam 1 1.9 3.8 1.9
Amidine 1 1.9 1.0 0.9
Nitrone 1 1.9 0.1 1.9
1,4-benzodiazepine 1 1.9 0.3 1.6
Alpha,beta-unsaturated carboxylic ester 1 1.9 2.9 0.9
Thioenolether 1 1.9 0.2 1.8
1,3-dithiole 1 1.9 0.0 1.9
Enoate ester 1 1.9 2.9 0.9
Dithiole 1 1.9 0.0 1.9
Ketene acetal or derivatives 1 1.9 0.5 1.4
Vinylogous thioester 1 1.9 0.2 1.7
Organofluoride 1 1.9 5.2 3.3
Pyridine carboxylic acid or derivatives 1 1.9 1.7 0.2
Aryl fluoride 1 1.9 3.2 1.3
Pyridine carboxylic acid 1 1.9 1.1 0.8
Pyridine 1 1.9 8.5 6.6
Quinoline-3-carboxylic acid 1 1.9 0.6 1.3
Dihydroquinoline 1 1.9 1.2 0.7
Haloquinoline 1 1.9 0.7 1.2
Fluoroquinolone 1 1.9 0.6 1.3
Dihydroquinolone 1 1.9 1.1 0.8
Dicarboximide 1 1.9 1.6 0.3
1,3-diazinane 1 1.9 0.2 1.7
Benzamide 1 1.9 1.8 0.2
Ureide 1 1.9 1.0 0.9
N-acyl urea 1 1.9 1.0 0.9
Barbiturate 1 1.9 0.1 1.9
Triazolopyrimidine 1 1.9 0.1 1.9
Triazole 1 1.9 0.2 1.7
1,2,3-triazole 1 1.9 0.1 1.8
Hydroxypyrimidine 1 1.9 0.4 1.6

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 spectraPrecursor MassParent massAnnotationProbabilityOverlap Score
CCMSLIB00000005538.ms 589.1916 589.1916 Etoposide M+H 1.000 0.148
CCMSLIB00000579484.ms 157.0760 157.0760 "2,2-Dipyridyl" M+H 1.000 0.029
CCMSLIB00000077042.ms 286.1108 286.1108 57-66-9 [M+H] 0.984 0.473
CCMSLIB00000078288.ms 657.1636 657.1636 Teniposide (Vumon) [M+H] 0.951 0.161
CCMSLIB00000078627.ms 286.1108 286.1108 Probenecid (Benemid) [M+H] 0.921 0.458
CCMSLIB00000579882.ms 347.1020 347.1020 2536_Oryzalin M+H 0.612 0.368
CCMSLIB00000085676.ms 333.0945 333.0945 MLS002207223-01!Picrotin M+Na 0.605 0.056
CCMSLIB00000078819.ms 395.1489 395.1489 NCGC00160168-01!MACLUROXANTHONE M+H 0.511 0.422
CCMSLIB00000579869.ms 291.0895 291.0895 0343_Chloroxuron M+H 0.450 0.011
CCMSLIB00000579673.ms 204.1019 204.1019 "5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione" M+H 0.444 0.216
CCMSLIB00000085936.ms 589.1916 589.1916 MLS002153463-01! M+H 0.415 0.110
CCMSLIB00000478414.ms 235.0965 235.0965 Pyrenochaetic acid A_120094 M+H 0.393 0.225
CCMSLIB00000079249.ms 589.1916 589.1916 Etoposide aka "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one" M+H 0.353 0.052
CCMSLIB00000579758.ms 212.0837 212.0837 0132_Propachlor M+H 0.342 0.221
CCMSLIB00000579622.ms 183.0781 183.0781 0821_triethylphosphate M+H 0.327 0.091
CCMSLIB00000078729.ms 332.2009 332.2009 NCGC00160181-01!MAHANIMBINE M+H 0.325 0.097
CCMSLIB00000579915.ms 255.0838 255.0838 2-Isopropylthioxanthone M+H 0.315 0.216
CCMSLIB00000078937.ms 281.1172 281.1172 35212-22-7 [M+H] 0.312 0.225
CCMSLIB00000079847.ms 348.1958 348.1958 "MLS000876952-01!3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol" M+H 0.284 0.097
CCMSLIB00000080105.ms 348.1958 348.1958 "MLS000863643-01!3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol" M+H 0.268 0.092
CCMSLIB00000579741.ms 216.1010 216.1010 0229_Atrazine M+H 0.258 0.225
CCMSLIB00000085000.ms 251.1503 251.1503 "MLS002172458-01!1,3-DIPROPYL-7-METHYLXANTHINE31542-63-9" M+H 0.246 0.337
CCMSLIB00000085356.ms 281.1172 281.1172 MLS001146879-01!35212-22-7 M+H 0.232 0.225
CCMSLIB00000085449.ms 393.1227 393.1227 "MLS002153336-01!1,3-Dipropyl-8-(p-sulfophenyl)xanthine" M+H 0.227 0.391
CCMSLIB00000070255.ms 367.2778 367.2778 Kalkitoxin M+H 0.208 0.094
CCMSLIB00000579575.ms 188.0697 188.0697 0173_Desethylatrazine M+H 0.194 0.216
CCMSLIB00000579656.ms 228.1277 228.1277 0349_Ametryn M+H 0.192 0.216
CCMSLIB00000084740.ms 305.1972 305.1972 "MLS001076525-01!8-CYCLOPENTYL-1,3-DIPROPYLXANTHINE" M+H 0.183 0.315
CCMSLIB00000579500.ms 198.1349 198.1349 0943_2-Hydroxyatrazine M+H 0.177 0.216
CCMSLIB00000579504.ms 136.1121 136.1121 4-Isopropylaniline M+H 0.165 0.216
CCMSLIB00000085991.ms 212.0837 212.0837 MLS002207036-01!Propachlor1918-16-7 M+H 0.142 0.233
CCMSLIB00000078525.ms 270.2176 270.2176 Pramiracetam [M+H] 0.139 0.030
CCMSLIB00000086055.ms 342.1700 342.1700 MLS001334009-01!Naloxone methiodide M+H 0.137 0.265
CCMSLIB00000086052.ms 487.2088 487.2088 MLS002153324-01!MRS 1754 M+H 0.136 0.352
CCMSLIB00000579916.ms 345.0767 345.0767 2537_Oxadiazone M+H 0.132 0.218
CCMSLIB00000478499.ms 432.2282 432.2282 Stephacidin A_130074 M+H 0.100 0.096
CCMSLIB00000079899.ms 271.0965 271.0965 "MLS002472907-01!4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one" M+H 0.097 0.371
CCMSLIB00000085337.ms 303.0499 303.0499 "MLS002153851-01!2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate117-39-5" M+H 0.088 0.114
CCMSLIB00000078596.ms 311.2006 311.2006 Altrenogest [M+H] 0.079 0.222
CCMSLIB00000579725.ms 231.1492 231.1492 0012_Propyphenazone M+H 0.079 0.216
CCMSLIB00000077107.ms 415.1387 415.1387 Podofilox [M+H] 0.072 0.156
CCMSLIB00000085277.ms 300.0898 300.0898 MLS001066622-01!CHLORDIAZEPOXIDE M+H 0.071 0.103
CCMSLIB00000084795.ms 326.2478 326.2478 MLS001195620-01!tolterodine M+H 0.070 0.225
CCMSLIB00000068235.ms 198.1852 198.1852 N-methylundec-10-enamide M+H 0.068 0.097
CCMSLIB00000078021.ms 311.0382 311.0382 Malotilate [M+Na] 0.066 0.216
CCMSLIB00000085968.ms 326.2478 326.2478 MLS001401389-01!TOLTERODINE TARTRATE M+H 0.064 0.225
CCMSLIB00000084978.ms 387.1703 387.1703 MLS001056593-01! M+H 0.059 0.227
CCMSLIB00000084815.ms 262.0874 262.0874 MLS001074120-01! M+H 0.056 0.221
CCMSLIB00000077192.ms 305.2475 305.2475 Arachidonic_acid M+H 0.054 0.094
CCMSLIB00000080342.ms 452.1452 452.1452 "MLS001075929-01!N-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide" M+H 0.052 0.102
CCMSLIB00000579750.ms 207.1492 207.1492 0017_Isoproturon M+H 0.051 0.216
CCMSLIB00000085286.ms 272.1142 272.1142 MLS000859963-01!Zaprinast M+H 0.050 0.230

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: