Mass2Motif: motif_72

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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: Diethylamino /dimethylaminoethyl substructure

Short Annotation: Diethylamino /dimethylaminoethyl 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 1.0000000000000009. 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_73.0875 0.398
  • CCNCC (27)
  • CCN(C)C (8)
  • CC(C)C.N (6)
  • CC(C)(C)N (4)
  • CCCNC (2)
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  • CC(C)CN (2)
  • C.CCNC (1)
  • CCCCN (1)
  • CCC(C)N (1)
  • C.CCCN (1)
loss_101.0825 0.063
  • CC(C)(C)NC=O (2)
  • CCN(C=O)CC (2)
  • CCN(C)CC.O (1)
  • CC(=CCN)CO (1)
  • CC(C)CNC=O (1)
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  • C.CC(C)(C)N.O (1)
loss_72.0875 0.042
  • CCNCC (11)
  • CCN(C)C (4)
  • CC(C)(C)N (1)
fragment_313.1775 0.021
  • CN1CC(CNC(=O)O)CC2c3cccc4c3c(cn4C)CC21 (1)
fragment_570.3075 0.020
  • NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)C(O)CN1CCC2CCCCC2C1 (3)
fragment_671.3925 0.018
  • CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 (2)
loss_100.0825 0.015
  • CC(C)(C)NC=O (3)
  • CC(=CCN)CO (1)
loss_141.0775 0.015
  • O=CC1CCCCN1C=O (1)
fragment_571.3075 0.013
  • NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(=O)NC(Cc1ccccc1)C(O)CN1CCC2CCCCC2C1 (2)
fragment_672.3925 0.011
fragment_277.0675 0.011
  • C=C(C)COc1cc2oc(=O)c(C)c(C)c2cc1Cl (1)
loss_146.9775 0.011
fragment_509.4025 0.011
fragment_694.4175 0.011
fragment_570.3025 0.011
fragment_595.2775 0.011
fragment_404.2325 0.011
  • CN1CC(CNC(=O)OCc2ccccc2)CC2c3cccc4c3c(cn4C)CC21 (1)
fragment_608.3675 0.011
  • CCC(C)C1NC(=O)C2CCCCN2C(=O)C(CC2CO2)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O (1)
loss_91.0575 0.011
  • Cc1ccccc1 (1)
fragment_433.1875 0.010
  • CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 (3)
fragment_416.1575 0.009
  • CC(O)C(Cc1ccccc1)NC(=O)C(CC=O)NC(=O)c1ccc2ccccc2n1 (2)
fragment_476.3125 0.009
loss_147.0675 0.009
  • Cc1c[nH]c2ccccc12.O (1)
  • NC(C=O)Cc1ccccc1 (1)
loss_71.0925 0.009
  • C.CC.CC (1)
loss_145.9825 0.009
fragment_363.2275 0.008
fragment_695.4225 0.007
loss_92.0625 0.006
  • Cc1ccccc1 (2)
fragment_285.0625 0.005
fragment_312.1675 0.005
fragment_225.0625 0.004
  • O=CCCNC(=O)c1ccc2ccccc2n1 (1)
loss_196.1225 0.004
  • CN.CNC(=O)OCc1ccccc1 (1)
fragment_314.1825 0.004
  • CN1CC(CNC(=O)O)CC2c3cccc4c3c(cn4C)CC21 (1)
fragment_596.2825 0.004
fragment_298.1425 0.004
loss_183.1125 0.004
loss_146.0625 0.004
loss_182.1075 0.004
  • CN.NC(=O)OCc1ccccc1 (1)
fragment_221.1175 0.004
fragment_251.0875 0.003
fragment_181.0875 0.003
fragment_673.3925 0.003
fragment_349.1825 0.003
loss_116.1075 0.003
  • C.CCN(C=O)CC (1)
  • CC=O.CCN(C)C (1)
  • CCCCCN.CO (1)
fragment_270.0875 0.003
  • NC(=O)CC(C=O)NC(=O)c1ccc2ccccc2n1 (3)
fragment_222.1275 0.003
  • CC(C)CC1CCc2cn(C)c3cccc1c23 (1)
fragment_317.2125 0.003
fragment_405.2325 0.003
fragment_367.2725 0.003
  • CC(C)(C)NC(=O)C1CC2CCCCC2CN1CCCCc1ccccc1 (3)
fragment_208.1125 0.003
  • CCCC1CCc2cn(C)c3cccc1c23 (1)
fragment_292.1275 0.003
fragment_244.0975 0.003
  • CC(O)C(Cc1ccccc1)NC(=O)CCC=O (2)
fragment_417.1625 0.003
  • CC(O)C(Cc1ccccc1)NC(=O)C(CC=O)NC(=O)c1ccc2ccccc2n1 (3)
fragment_220.1125 0.003
  • CCN1c2ccccc2CCc2ccccc21 (1)
fragment_430.3075 0.003
fragment_279.0625 0.003
  • Cc1c(CC(=O)N(C)C)c(=O)oc2ccc(Cl)cc12 (1)
fragment_264.1575 0.003
loss_184.1225 0.003
loss_31.0425 0.003
  • CN (2)
fragment_434.1875 0.003
  • CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 (3)
fragment_609.3675 0.003
fragment_477.3125 0.003
fragment_118.0675 0.003
  • CCCc1ccccn1 (2)
  • Cc1cccc(c1)CN (1)
  • CCNc1ccccc1 (1)
loss_153.0775 0.003
fragment_251.1525 0.003
fragment_206.0975 0.003
  • CN1c2ccccc2CCc2ccccc21 (1)
  • CCCN(c1ccccc1)c1ccccc1 (1)
fragment_158.0975 0.002
  • c1cc2CCCc3cnc(c1)c23 (1)
fragment_168.0825 0.002
  • c1ccc(cc1)Cc1ccccn1 (2)
  • ccc1c(cC)[nH]c2ccccc21 (1)
  • Cn1cc2CCCc3cccc1c32 (1)
  • CC1CCc2c[nH]c3cccc1c23 (1)
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fragment_196.1125 0.002
  • CCC(c1ccccc1)c1ccccn1 (2)
  • CCC1CCc2cn(C)c3cccc1c23 (1)
fragment_297.1325 0.002
fragment_296.1775 0.002
fragment_209.1175 0.002
  • CCCC1CCc2cn(C)c3cccc1c23 (1)
loss_195.1125 0.002
loss_88.1125 0.002
  • C.CCNCC (3)
  • C.CCN(C)C (1)
  • C.C.CCCN (1)
loss_198.1375 0.002
loss_142.0875 0.002
loss_43.9875 0.002
fragment_266.1875 0.002
  • CC(N)C(O)CN1CC2CCCCC2CC1C(N)=O (2)
fragment_564.2375 0.002
fragment_182.0975 0.002
  • CC1CCc2cn(C)c3cccc1c23 (1)
fragment_672.3875 0.002
loss_90.0575 0.002
fragment_173.0725 0.002
  • NC(=O)c1ccc2ccccc2n1 (2)
fragment_696.4225 0.002
loss_118.1125 0.002
  • CCN(C=O)CC.[nH3] (1)
loss_152.0775 0.002
loss_104.0575 0.002
  • CCN(C)C.S (2)
  • C.Cc1ccccc1 (1)
fragment_278.0675 0.002
  • C=C(C)COc1cc2oc(=O)c(C)c(C)c2cc1Cl (1)
fragment_364.2225 0.002
fragment_360.2425 0.002
fragment_234.1275 0.002
  • CCCN1c2ccccc2CCc2ccccc21 (1)
fragment_268.1775 0.002
  • CNCCCCc1cnc(C)c2[nH]c3ccccc3c12 (1)
  • CN1CC(CN)CC2c3cccc4c3c(cn4C)CC21 (1)
loss_99.0825 0.002
  • C1CCCCC1.O (2)
loss_170.1075 0.002
fragment_239.1525 0.002
  • CN1CCCC2c3cccc4c3c(cn4C)CC21 (1)
fragment_269.1875 0.002
  • CN1CC(CN)CC2c3cccc4c3c(cn4C)CC21 (1)
fragment_252.1575 0.002
loss_194.1075 0.002
  • CN.CNC(=O)OCc1ccccc1 (1)
fragment_152.1425 0.002
  • CN1CCC2CCCCC2C1 (1)
fragment_211.1225 0.002
  • CNC1Cc2cn(C)c3cccc(c23)C1C (1)
fragment_183.1025 0.002
  • CC1CCc2cn(C)c3cccc1c23 (1)
fragment_156.0425 0.002
  • O=Cc1ccc2ccccc2n1 (2)
loss_30.0375 0.001
loss_135.0475 0.001
  • O=COCc1ccccc1 (1)
fragment_169.0875 0.001
  • Cn1cc2CCCc3cccc1c32 (1)
fragment_597.2875 0.001
loss_108.0575 0.001
  • CCN(C)C.Cl (3)
  • OCc1ccccc1 (1)
loss_193.1125 0.001
fragment_242.0925 0.001
  • NC(=O)CCNC(=O)c1ccc2ccccc2n1 (3)
fragment_300.1725 0.001
  • Cn1cc2CC3NCC(CNC(=O)O)CC3c3cccc1c23 (1)
fragment_223.0175 0.001
  • Cc1c(C)c2cc(Cl)c(O)cc2oc1=O (1)
fragment_237.1375 0.001
  • CCCCc1cnc(C)c2[nH]c3ccccc3c12 (1)
  • CC1CNC2Cc3cn(C)c4cccc(c34)C2C1 (1)
fragment_207.1025 0.001
  • CN1c2ccccc2CCc2ccccc21 (1)
  • CCCN(c1ccccc1)c1ccccc1 (1)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 57 86.4 78.1 8.2
Organopnictogen compound 50 75.8 46.6 29.2
Organic nitrogen compound 48 72.7 60.8 11.9
Organonitrogen compound 48 72.7 60.8 12.0
Organic oxygen compound 44 66.7 69.8 3.1
Organooxygen compound 43 65.2 68.4 3.2
Amine 39 59.1 25.0 34.0
Tertiary amine 31 47.0 14.6 32.4
Tertiary aliphatic amine 30 45.5 13.7 31.7
Organic oxide 29 43.9 62.0 18.1
Azacycle 28 42.4 46.4 4.0
Benzenoid 27 40.9 45.0 4.1
Aromatic heteropolycyclic compound 23 34.8 40.3 5.4
Heteroaromatic compound 23 34.8 36.8 2.0
Carboxylic acid derivative 19 28.8 35.2 6.4
Ether 18 27.3 30.9 3.7
Monocyclic benzene moiety 18 27.3 26.6 0.6
Aromatic homomonocyclic compound 18 27.3 9.6 17.7
Carbonyl group 17 25.8 41.3 15.6
Alkyl aryl ether 16 24.2 24.7 0.5
Carboxamide group 15 22.7 24.1 1.4
Aralkylamine 13 19.7 10.5 9.2
Pyridine 13 19.7 8.5 11.2
Amino acid or derivatives 13 19.7 10.7 9.0
Primary amine 13 19.7 6.3 13.4
Organoheterocyclic compound 11 16.7 38.0 21.4
Aniline or substituted anilines 11 16.7 3.6 13.1
Monocarboxylic acid or derivatives 10 15.2 19.7 4.5
Carboxylic acid ester 10 15.2 13.9 1.2
Secondary carboxylic acid amide 10 15.2 15.3 0.1
Secondary amine 10 15.2 5.3 9.9
Benzoyl 10 15.2 7.2 7.9
Organic 1,3-dipolar compound 9 13.6 9.9 3.7
Propargyl-type 1,3-dipolar organic compound 9 13.6 9.9 3.7
Primary aliphatic amine 9 13.6 2.8 10.8
Primary aromatic amine 9 13.6 3.3 10.4
Oxacycle 8 12.1 27.5 15.4
Alcohol 8 12.1 18.9 6.8
Piperidine 8 12.1 9.4 2.8
Organohalogen compound 8 12.1 14.1 1.9
Aryl halide 8 12.1 10.8 1.3
Carboximidic acid derivative 7 10.6 4.9 5.7
Aryl chloride 7 10.6 7.2 3.4
Phenol ether 7 10.6 13.0 2.4
Organochloride 7 10.6 8.7 1.9
Secondary aliphatic amine 7 10.6 4.4 6.2
Phenoxy compound 7 10.6 11.4 0.7
Secondary alcohol 6 9.1 14.3 5.2
Fatty acyl 6 9.1 5.9 3.2
1,2-aminoalcohol 6 9.1 3.3 5.8
Tertiary carboxylic acid amide 6 9.1 12.0 2.9
Aromatic heteromonocyclic compound 6 9.1 14.3 5.2
Carboximidic acid 6 9.1 3.9 5.2
Imidolactam 6 9.1 3.8 5.3
Dialkyl ether 5 7.6 7.7 0.1
Pyrrole 5 7.6 7.6 0.0
Indole or derivatives 5 7.6 5.0 2.6
Indole 5 7.6 6.9 0.7
Benzamide 5 7.6 1.8 5.8
Aminophenyl ether 5 7.6 0.7 6.9
Anisole 5 7.6 13.4 5.8
Aliphatic homopolycyclic compound 5 7.6 3.7 3.9
Azole 5 7.6 8.1 0.5
N-acyl-amine 4 6.1 2.3 3.8
Fatty amide 4 6.1 3.0 3.1
Alpha-amino acid amide 4 6.1 4.1 2.0
Amphetamine or derivatives 4 6.1 2.8 3.3
N-acyl-alpha amino acid or derivatives 4 6.1 6.4 0.3
3-alkylindole 4 6.1 4.9 1.2
1-hydroxy-2-unsubstituted benzenoid 4 6.1 8.9 2.8
Phenol 4 6.1 6.8 0.8
Methoxybenzene 4 6.1 7.9 1.8
Methoxyaniline 4 6.1 0.8 5.3
Tertiary aliphatic/aromatic amine 4 6.1 2.2 3.9
Dialkylarylamine 4 6.1 3.4 2.6
Aminobenzoic acid or derivatives 4 6.1 0.6 5.5
Benzoate ester 4 6.1 1.5 4.6
Halobenzene 4 6.1 6.1 0.1
Lactone 3 4.5 12.7 8.1
2-piperidinecarboxamide 3 4.5 0.2 4.4
Phenylbutylamine 3 4.5 0.8 3.7
Quinoline-2-carboxamide 3 4.5 0.1 4.5
2-heteroaryl carboxamide 3 4.5 1.2 3.3
Pyridine carboxylic acid or derivatives 3 4.5 1.7 2.8
Piperidinecarboxamide 3 4.5 2.0 2.5
Quinoline 3 4.5 0.9 3.6
Primary carboxylic acid amide 3 4.5 1.3 3.2
Asparagine or derivatives 3 4.5 0.1 4.5
Substituted pyrrole 3 4.5 3.9 0.7
Aminopyridine 3 4.5 0.7 3.8
Alpha-amino acid or derivatives 3 4.5 9.6 5.1
Alkyldiarylamine 3 4.5 0.5 4.0
Organosulfur compound 3 4.5 7.6 3.0
Sulfonyl 3 4.5 4.0 0.6
Benzenesulfonyl group 3 4.5 2.7 1.9
Quinolone 3 4.5 0.3 4.3
Aryl alkyl ketone 3 4.5 3.2 1.3
Chlorobenzene 3 4.5 4.2 0.4
Thiadiazole 3 4.5 0.1 4.4
Oxazinane 3 4.5 0.8 3.7
Morpholine 3 4.5 0.8 3.7
Macrolide 2 3.0 1.6 1.4
Aliphatic heteropolycyclic compound 2 3.0 3.5 0.5
Oxirane 2 3.0 1.2 1.9
Indoloquinoline 2 3.0 0.3 2.8
Isoindole or derivatives 2 3.0 0.7 2.4
Alkaloid or derivatives 2 3.0 1.1 1.9
Pyrroloquinoline 2 3.0 0.3 2.7
Ergoline skeleton 2 3.0 0.1 2.9
Benzoquinoline 2 3.0 0.5 2.5
Lactam 2 3.0 10.3 7.3
P-aminophenol 2 3.0 0.1 3.0
Aminophenol 2 3.0 0.2 2.9
4-aminoquinoline 2 3.0 0.1 2.9
Phenylmethylamine 2 3.0 0.8 2.2
Haloquinoline 2 3.0 0.7 2.3
Benzylamine 2 3.0 1.0 2.1
Chloroquinoline 2 3.0 0.1 2.9
Fatty acid ester 2 3.0 2.5 0.5
N,n-dialkyl-m-toluamide 2 3.0 0.0 3.0
Benzoic acid or derivatives 2 3.0 3.3 0.2
Aminobenzamide 2 3.0 0.2 2.8
Phenylpropane 2 3.0 1.6 1.4
Benzenesulfonamide 2 3.0 1.9 1.2
Organosulfonic acid amide 2 3.0 2.6 0.5
Aminosulfonyl compound 2 3.0 3.1 0.1
Organosulfonic acid or derivatives 2 3.0 3.6 0.5
Organic sulfonic acid or derivatives 2 3.0 3.6 0.5
1-hydroxy-4-unsubstituted benzenoid 2 3.0 5.3 2.3
Ketone 2 3.0 11.9 8.8
Aryl ketone 2 3.0 4.6 1.6
Pheniramine 2 3.0 0.2 2.9
Aryl thioether 2 3.0 1.3 1.7
Diarylthioether 2 3.0 0.8 2.2
Phenothiazine 2 3.0 0.4 2.6
Thioether 2 3.0 3.2 0.2
Para-thiazine 2 3.0 0.4 2.6
Imidazole 2 3.0 4.0 1.0
Secondary aliphatic/aromatic amine 2 3.0 1.4 1.7
Aminoquinoline 2 3.0 0.8 2.2
Oxane 1 1.5 3.4 1.9
N-alkylindole 1 1.5 0.7 0.8
N-methylpyrrole 1 1.5 0.5 1.0
Benzopyran 1 1.5 10.7 9.2
Pyridinone 1 1.5 2.6 1.1
Cytisine 1 1.5 2.0 0.5
N-acyl-piperidine 1 1.5 3.4 1.9
Coumarin 1 1.5 5.6 4.0
Pyranone 1 1.5 10.1 8.6
Pyran 1 1.5 10.7 9.2
1-benzopyran 1 1.5 10.7 9.2
Macrolide lactam 1 1.5 0.5 1.0
Macrolactam 1 1.5 1.7 0.2
Cyclic depsipeptide 1 1.5 0.5 1.0
Phosphoric acid ester 1 1.5 0.6 0.9
Phosphoethanolamine 1 1.5 0.3 1.2
Dialkyl phosphate 1 1.5 0.5 1.0
Organic phosphoric acid derivative 1 1.5 0.8 0.7
Diacylglycero-3-phosphoethanolamine 1 1.5 0.3 1.2
Alkyl phosphate 1 1.5 0.6 0.9
Aliphatic acyclic compound 1 1.5 1.9 0.4
Dicarboxylic acid or derivatives 1 1.5 4.2 2.6
N-arylpiperazine 1 1.5 1.6 0.1
Phenylpiperazine 1 1.5 0.6 0.9
Azepine 1 1.5 0.9 0.6
Dibenzazepine 1 1.5 0.3 1.2
Sulfone 1 1.5 0.5 1.0
Dibenzocycloheptene 1 1.5 0.1 1.4
Aromatic homopolycyclic compound 1 1.5 2.3 0.8
Acetamide 1 1.5 0.6 0.9
N-acetylarylamine 1 1.5 0.1 1.4
Acylaminobenzoic acid or derivatives 1 1.5 0.3 1.2
Anilide 1 1.5 1.6 0.1
Acetanilide 1 1.5 0.1 1.4
N-arylamide 1 1.5 1.7 0.2
Vinylogous acid 1 1.5 5.4 3.9
Chromone 1 1.5 3.1 1.6
2,2-dimethyl-1-benzopyran 1 1.5 1.5 0.0
Urea 1 1.5 2.8 1.3
Tertiary alcohol 1 1.5 5.5 4.0
Phenylpiperidine 1 1.5 0.8 0.8
Acetophenone 1 1.5 0.4 1.2
Pyrido-para-diazepine 1 1.5 0.0 1.5
1,4-benzodiazepine 1 1.5 0.3 1.2
Cyclic carboximidic acid 1 1.5 1.8 0.3
Aliphatic homomonocyclic compound 1 1.5 0.4 1.1
Methylpyridine 1 1.5 0.7 0.8
Harman 1 1.5 0.6 0.9
Beta-carboline 1 1.5 2.4 0.8
Pyridoindole 1 1.5 2.0 0.5
C-nitro compound 1 1.5 1.3 0.2
Organic oxoazanium 1 1.5 1.3 0.2
Organic nitro compound 1 1.5 1.4 0.1
Organic zwitterion 1 1.5 1.1 0.4
Catechol 1 1.5 0.8 0.7
Nitrile 1 1.5 1.0 0.5
Allyl-type 1,3-dipolar organic compound 1 1.5 1.4 0.1
Hydroxycinnamic acid or derivatives 1 1.5 0.3 1.2
Nitrophenol 1 1.5 0.1 1.4
Nitroaromatic compound 1 1.5 1.1 0.4
Nitrobenzene 1 1.5 0.7 0.8
Carbonitrile 1 1.5 1.0 0.5
Bromobenzene 1 1.5 0.3 1.3
Organobromide 1 1.5 0.7 0.8
2-bromoaniline 1 1.5 0.0 1.5
Aryl bromide 1 1.5 0.7 0.9
Indolyl carboxylic acid derivative 1 1.5 0.6 0.9
N-substituted-alpha-amino acid 1 1.5 1.3 0.2
Amino acid 1 1.5 2.9 1.4
Carboxylic acid 1 1.5 13.3 11.8
N-acyl-alpha-amino acid 1 1.5 4.4 2.9
Alpha-oligopeptide 1 1.5 0.8 0.7
Alanine or derivatives 1 1.5 1.3 0.2
Phenylalanine or derivatives 1 1.5 1.6 0.1
Acetal 1 1.5 4.4 2.9
Styrene 1 1.5 1.8 0.3
Benzodioxole 1 1.5 1.2 0.3
6-alkylaminopurine 1 1.5 0.3 1.2
Pyrimidine 1 1.5 4.5 3.0
Aminopyrimidine 1 1.5 2.3 0.8
Primary alcohol 1 1.5 5.5 4.0
N-substituted imidazole 1 1.5 3.2 1.7
Imidazoquinoline 1 1.5 0.0 1.5
Imidazopyridine 1 1.5 0.1 1.4
Imidazo-[4,5-c]pyridine 1 1.5 0.0 1.5
Alpha-aminoketone 1 1.5 0.1 1.4
Alkyl-phenylketone 1 1.5 1.0 0.5
Xylene 1 1.5 0.8 0.7
M-xylene 1 1.5 0.7 0.8

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
CCMSLIB00000068211.ms 313.1774 313.1774 Ecklonialactone A M+Na 1.000 0.025
CCMSLIB00000085050.ms 671.3915 671.3915 MLS001195635-01!SAQUINAVIR MESYLATE M+H 0.908 0.184
CCMSLIB00000001676.ms 694.4150 694.4150 Arenamide A M+Na 0.708 0.058
CCMSLIB00000085067.ms 671.3915 671.3915 MLS001401395-01!SAQUINAVIR MESYLATE M+H 0.702 0.107
CCMSLIB00000085003.ms 404.2333 404.2333 MLS001148102-01! M+H 0.682 0.134
CCMSLIB00000079268.ms 671.3915 671.3915 SAQUINAVIR MESYLATE [M+H] 0.667 0.139
CCMSLIB00000080039.ms 495.1681 495.1681 MLS001032277-01! M+H 0.616 0.017
CCMSLIB00000085987.ms 356.1524 356.1524 MLS001332570-01!Amodiaquin dihydrochloride dihydrate6398-98-7 M+H 0.588 0.517
CCMSLIB00000577626.ms 608.3654 608.3654 Destruxin_E1_25015_dereplictor_pv_4.82044e-20 M+H 0.568 0.029
CCMSLIB00000085813.ms 224.1281 224.1281 MLS001146918-01! M+H 0.500 0.509
CCMSLIB00000071742.ms 650.4755 650.4755 phosphatidylethanolamine (14:0/15:0) M+H 0.500 0.011
CCMSLIB00000086136.ms 192.1383 192.1383 "MLS001333179-01!N,N-Diethyl-3-methylbenzamide134-62-3" M+H 0.466 0.505
CCMSLIB00000085194.ms 356.1524 356.1524 MLS001304065-01! M+H 0.420 0.449
CCMSLIB00000579756.ms 192.1383 192.1383 DEET M+H 0.339 0.404
CCMSLIB00000077022.ms 236.1757 236.1757 Pronestyl [M+H] 0.325 0.440
CCMSLIB00000085484.ms 193.1335 193.1335 MLS001056761-01! M+H 0.316 0.401
CCMSLIB00000085108.ms 180.1747 180.1747 MLS001332605-01!Memantine hydrochloride41100-52-1 M+H 0.233 0.440
CCMSLIB00000085403.ms 315.1623 315.1623 MLS001074205-01!17321-77-6 M+H 0.214 0.461
CCMSLIB00000084885.ms 329.1530 329.1530 MLS001076118-01!TIAPRIDE HYDROCHLORIDE M+H 0.204 0.440
CCMSLIB00000084751.ms 180.1747 180.1747 MLS001401420-01! M+H 0.202 0.398
CCMSLIB00000078632.ms 344.2333 344.2333 Dibucaine (Cinchocaine) HCl [M+H] 0.199 0.440
CCMSLIB00000085506.ms 236.1757 236.1757 MLS001148635-01!Pronestyl M+H 0.199 0.440
CCMSLIB00000085515.ms 180.1747 180.1747 "MLS001074335-01!(3,5-dimethyl-1-adamantyl)amine nitrate" M+H 0.199 0.398
CCMSLIB00000085044.ms 264.1958 264.1958 MLS001148168-01!BUTETHAMATE CITRATE M+H 0.183 0.440
CCMSLIB00000085499.ms 264.1747 264.1747 MLS001074210-01!Protriptyline M+H 0.183 0.398
CCMSLIB00000579679.ms 214.0896 214.0896 N-Butylbenzenesulfonamide M+H 0.173 0.398
CCMSLIB00000086183.ms 344.2333 344.2333 MLS001076275-01!DIBUCAINE HYDROCHLORIDE M+H 0.170 0.440
CCMSLIB00000085301.ms 344.2333 344.2333 MLS001148085-01!85-79-0 M+H 0.169 0.440
CCMSLIB00000078010.ms 399.2191 399.2191 Sunitinib Malate (Sutent) [M+H] 0.166 0.440
CCMSLIB00000084745.ms 278.1863 278.1863 MLS001148141-01!N-ACETYLPROCAINAMIDE HYDROCHLORIDE M+H 0.162 0.440
CCMSLIB00000079645.ms 449.1377 449.1377 "MLS001032339-01!2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide" M+H 0.160 0.398
CCMSLIB00000086106.ms 241.1699 241.1699 MLS001148181-01!Pheniramine maleate salt M+H 0.157 0.447
CCMSLIB00000078628.ms 237.1598 237.1598 Procaine (Novocaine) HCl [M+H] 0.152 0.440
CCMSLIB00000077021.ms 237.1598 237.1598 Procaine (Novocaine) aka 2-(diethylamino)ethyl 4-aminobenzoate M+H 0.142 0.440
CCMSLIB00000085444.ms 241.1699 241.1699 MLS002207118-01!Pheniramine maleate salt132-20-7 M+H 0.140 0.447
CCMSLIB00000085671.ms 341.2336 341.2336 MLS000069833-01!TRANS-DIHYDROLISURIDE M+H 0.138 0.444
CCMSLIB00000085421.ms 341.1415 341.1415 "MLS000860079-01!L-741,626" M+H 0.136 0.009
CCMSLIB00000084825.ms 300.1473 300.1473 MLS001074186-01! M+H 0.131 0.451
CCMSLIB00000085647.ms 285.1420 285.1420 MLS001148436-01! M+H 0.126 0.445
CCMSLIB00000085592.ms 327.1526 327.1526 MLS002153883-01!Acetopromazine maleate salt3598-37-6 M+H 0.112 0.449
CCMSLIB00000085189.ms 335.1965 335.1965 MLS002154082-01!Nitrocaramiphen hydrochloride M+H 0.111 0.440
CCMSLIB00000079135.ms 422.2551 422.2551 "6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS]" [M+H] 0.106 0.398
CCMSLIB00000079874.ms 208.1332 208.1332 MLS000863632-01!3-phenyl-2-(trimethylazaniumyl)propanoate M+H 0.105 0.078
CCMSLIB00000085452.ms 317.1642 317.1642 MLS002207126-01!Timolol maleate salt26921-17-5 M+H 0.105 0.440
CCMSLIB00000086000.ms 317.1642 317.1642 MLS000028539-01!TIMOLOL MALEATE M+H 0.103 0.398
CCMSLIB00000084749.ms 319.1030 319.1030 MLS001148603-01!69-09-0 M+H 0.102 0.412
CCMSLIB00000085644.ms 310.2741 310.2741 MLS001074064-01!Bentyl M+H 0.101 0.440
CCMSLIB00000086134.ms 317.1642 317.1642 MLS001076135-01!Timolol maleate salt M+H 0.099 0.398
CCMSLIB00000078734.ms 268.1808 268.1808 NCGC00160349-01!BREVICARINE M+H 0.093 0.408
CCMSLIB00000086138.ms 319.1030 319.1030 MLS000595399-01![3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-ammonium M+H 0.090 0.454
CCMSLIB00000078586.ms 306.1084 306.1084 Entacapone [M+H] 0.089 0.398
CCMSLIB00000078303.ms 295.2016 295.2016 Proparacaine HCl [M+H] 0.089 0.440
CCMSLIB00000078941.ms 180.1747 180.1747 "(3R,5S)-3,5-dimethyladamantan-1-amine" [M+H] 0.082 0.398
CCMSLIB00000086141.ms 344.0968 344.0968 MLS002153965-01!Bromopride4093-35-0 M+H 0.080 0.442
CCMSLIB00000223902.ms 423.2027 423.2027 Sevadicin M+H 0.079 0.009
CCMSLIB00000080181.ms 274.1438 274.1438 "MLS002473214-01!(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide" M+H 0.077 0.461
CCMSLIB00000085739.ms 180.1747 180.1747 MLS000069661-01!1-(1-ADAMANTYL)ETHYLAMINE HYDROCHLORIDE M+H 0.075 0.398
CCMSLIB00000085460.ms 219.1492 219.1492 MLS002695961-01!104015-29-4 M+H 0.075 0.401
CCMSLIB00000079576.ms 220.1193 220.1193 MLS001074742-01! M+H 0.061 0.078
CCMSLIB00000085395.ms 318.2428 318.2428 MLS002222187-01!548-66-3 M+H 0.061 0.398
CCMSLIB00000085381.ms 241.1448 241.1448 MLS000083577-01!Imiquimod M+H 0.059 0.398
CCMSLIB00000579548.ms 240.1150 240.1150 0546_Bupropion M+H 0.057 0.461
CCMSLIB00000084879.ms 208.1696 208.1696 MLS002153485-01!R(-)-Me5 hydriodide M+H 0.057 0.398
CCMSLIB00000077047.ms 295.2016 295.2016 Proxymetacaine [M+H] 0.055 0.398
CCMSLIB00000006519.ms 319.1030 319.1030 Chlorpromazine M+H 0.053 0.398
CCMSLIB00000084798.ms 260.1757 260.1757 MLS001334045-01!Primaquine Diphosphate63-45-6 M+H 0.052 0.404

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: