Mass2Motif: motif_60

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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: Quinazolinol substructure (or formed after fragmentation event of dihydro analogue) [ClassyFire: Relevant terms - Substituents: Quinoxaline - Taxa: None]

Short Annotation: Quinazolinol substructure (or formed after fragmentation event of dihydro analogue)

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 0.9999999999999998. 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_147.0575 0.275
  • O=C1CNc2ccccc2N1 (22)
  • Cn1c(=O)[nH]c2ccccc21 (3)
  • O=c1nc[nH]c2ccccc12 (1)
  • Cc1ccc(cc1N)N=C=O (1)
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fragment_175.0525 0.115
  • O=CN1CC(=O)Nc2ccccc21 (17)
  • Cc1ccc(N=C=O)cc1N=C=O (1)
fragment_119.0625 0.097
  • CNc1ccccc1N (19)
  • ncNc1ccccc1 (1)
  • c1ccc2[nH]ncc2c1 (1)
  • CNCc1cccnc1 (1)
  • N=CNc1ccccc1 (1)
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  • c1ccc2[nH]cnc2c1 (1)
  • CCNc1ccccn1 (1)
  • Ccnc1ccccn1 (1)
fragment_121.0775 0.083
  • CNc1ccccc1N (20)
  • CNc1ccc(N)cc1 (1)
  • CN(C)c1ccccn1 (1)
  • CCNc1ccccn1 (1)
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fragment_260.1425 0.059
  • CCC(C)CNC(=O)N1CC(=O)Nc2ccccc21 (4)
  • CC(C)CCNC(=O)N1CC(=O)Nc2ccccc21 (3)
  • CCC(CC)=C1c2ccccc2CCc2cccnc21 (1)
fragment_246.1225 0.042
  • CC(C)CNC(=O)N1CC(=O)Nc2ccccc21 (6)
  • CNC(=O)N1CC2CC(C1)c1cccc(=O)n1C2 (1)
fragment_358.1225 0.034
  • CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 (5)
fragment_161.9875 0.017
  • Nc1ccc(Cl)c(Cl)c1 (2)
fragment_135.0925 0.016
  • CCN(C)c1ccccn1 (5)
  • CCNCc1ccncc1 (1)
fragment_204.0775 0.015
  • CNC(=O)N1CC(=O)Nc2ccccc21 (11)
loss_194.0675 0.014
  • O.O=CN1CC(=O)Nc2ccccc21 (9)
loss_193.0725 0.014
  • O=CNC(Cc1ccccc1)C(=O)O (10)
  • CO.COc1cccc(c1)CNC=O (1)
fragment_149.0725 0.013
  • O=C1CNc2ccccc2N1 (2)
  • CC(=O)Nc1ccc(N)cc1 (1)
fragment_127.0175 0.011
  • Nc1ccc(Cl)cc1 (2)
  • CCOP(=O)(O)O (1)
loss_91.9925 0.011
  • CS.O=CO (1)
fragment_599.2325 0.011
fragment_204.9925 0.011
  • NC(=O)Nc1ccc(Cl)c(Cl)c1 (1)
fragment_261.1425 0.010
  • CCC(C)CNC(=O)N1CC(=O)Nc2ccccc21 (3)
  • CC(C)CCNC(=O)N1CC(=O)Nc2ccccc21 (2)
loss_60.0325 0.009
fragment_599.2575 0.008
loss_60.0125 0.008
fragment_202.0625 0.007
  • NC(=O)NC(Cc1ccccc1)C(N)=O (1)
loss_77.9725 0.007
  • Cl.NC=O (1)
fragment_146.0625 0.006
  • ccc1c[nH]cc1CCC=O (1)
  • CCC(=O)Nc1ccccc1 (1)
  • ccc1cc(c[nH]1)CCC=O (1)
fragment_122.0775 0.005
  • CNc1ccc(N)cc1 (1)
fragment_247.1275 0.005
  • CC(C)CNC(=O)N1CC(=O)Nc2ccccc21 (2)
fragment_192.0825 0.005
loss_60.0425 0.005
loss_34.9675 0.005
  • Cl (1)
fragment_188.0725 0.004
  • O=C(O)CCc1c[nH]c2ccccc12 (3)
fragment_599.2675 0.004
fragment_133.0775 0.004
  • CCNCc1cccnc1 (1)
loss_59.9975 0.004
fragment_298.1525 0.004
  • CCC(C)C(N)C(=O)NC(C=O)Cc1c[nH]c2ccccc12 (2)
  • CC(C)CC(N)C(=O)NC(C=O)Cc1c[nH]c2ccccc12 (1)
loss_104.9875 0.004
  • ccS(N)(=O)=O (1)
fragment_132.0425 0.003
  • CC(=O)Nc1ccccc1 (1)
  • Cc1ccc(cc1)N=C=O (1)
fragment_232.1425 0.003
  • CC(C)CCNC(=O)N(C)c1ccccc1N (1)
loss_77.9775 0.003
  • O=CO.S (1)
fragment_159.0925 0.003
  • NCCc1c[nH]c2ccccc12 (6)
loss_43.0075 0.003
  • NC=O (1)
  • N=C=O (1)
fragment_294.1225 0.003
  • O=C1CN(C(=O)NCCc2ccccc2)c2ccccc2N1 (1)
fragment_192.0725 0.002
fragment_148.0575 0.002
  • O=C1CNc2ccccc2N1 (14)
fragment_259.1425 0.002
  • CC(C)CC(N)C(=O)NC(C=O)Cc1ccccc1 (2)
  • CCC(C)C(N)C(=O)NC(C=O)Cc1ccccc1 (1)
fragment_218.1275 0.002
fragment_185.0725 0.002
loss_192.0725 0.002
  • O=CNC(Cc1ccccc1)C(=O)O (3)
  • C=O.COc1cccc(c1)CNC=O (1)
fragment_107.0625 0.002
  • NCc1cccnc1 (1)
  • CNc1ccccn1 (1)
  • NCc1ccncc1 (1)
fragment_164.0825 0.002
fragment_192.0775 0.002
  • NC(=O)N1CC(=O)Nc2ccccc21 (5)
fragment_217.1325 0.002
fragment_160.0275 0.002
  • O=C=Nc1cccc(c1)N=C=O (1)
fragment_204.0825 0.002
fragment_132.0675 0.002
loss_199.1225 0.002
  • CC(C)C.O=CN1CCCC1C(=O)O (1)
fragment_120.0625 0.002
  • ncNc1ccccc1 (1)
fragment_176.0525 0.002
  • O=CN1CC(=O)Nc2ccccc21 (3)
  • NC(=O)Nc1ccccc1NC=O (1)
fragment_599.2125 0.001
fragment_251.1175 0.001
  • CN(C(=O)NCCc1ccccc1)c1ccccc1 (1)
fragment_108.0675 0.001
  • CNc1ccccn1 (1)
loss_60.0575 0.001
fragment_203.0675 0.001
  • NC(=O)NC(Cc1ccccc1)C(N)=O (1)
  • Fc1ccc(cc1)Cc1ccc(F)cc1 (1)
fragment_247.1225 0.001
fragment_120.0675 0.001
  • CNCc1cccnc1 (1)
  • CCNc1ccccn1 (1)
fragment_159.9725 0.001
  • Nc1ccc(Cl)c(Cl)c1 (1)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 43 84.3 78.1 6.2
Organic nitrogen compound 42 82.4 60.8 21.5
Organonitrogen compound 41 80.4 60.8 19.6
Organic oxygen compound 40 78.4 69.8 8.7
Organic oxide 38 74.5 62.0 12.5
Organooxygen compound 38 74.5 68.4 6.1
Azacycle 35 68.6 46.4 22.2
Organoheterocyclic compound 34 66.7 38.0 28.6
Carbonyl group 32 62.7 41.3 21.4
Benzenoid 30 58.8 45.0 13.8
Aromatic heteropolycyclic compound 28 54.9 40.3 14.6
Organic 1,3-dipolar compound 27 52.9 9.9 43.0
Propargyl-type 1,3-dipolar organic compound 27 52.9 9.9 43.0
Monocyclic benzene moiety 23 45.1 26.6 18.5
Heteroaromatic compound 23 45.1 36.8 8.3
Carboxylic acid 23 45.1 13.3 31.8
Monocarboxylic acid or derivatives 23 45.1 19.7 25.4
N-acyl-alpha-amino acid 22 43.1 4.4 38.8
Isourea 21 41.2 1.1 40.1
Carboximidic acid derivative 21 41.2 4.9 36.3
Quinoxaline 20 39.2 0.5 38.8
Cyclic carboximidic acid 20 39.2 1.8 37.4
N-acyl-alpha amino acid or derivatives 20 39.2 6.4 32.8
Organopnictogen compound 19 37.3 46.6 9.3
Alpha-amino acid or derivatives 17 33.3 9.6 23.7
Carboximidic acid 15 29.4 3.9 25.5
Alpha peptide 15 29.4 0.9 28.5
Carboxamide group 11 21.6 24.1 2.6
Pyridine 10 19.6 8.5 11.1
Aromatic heteromonocyclic compound 10 19.6 14.3 5.3
3-phenylpropanoic-acid 10 19.6 1.4 18.2
Phenylalanine or derivatives 10 19.6 1.6 18.0
Amphetamine or derivatives 10 19.6 2.8 16.8
Alkyl aryl ether 9 17.6 24.7 7.1
Ether 9 17.6 30.9 13.3
Imidolactam 7 13.7 3.8 9.9
3-alkylindole 7 13.7 4.9 8.8
Pyrrole 7 13.7 7.6 6.1
Indole or derivatives 7 13.7 5.0 8.7
Indole 7 13.7 6.9 6.9
Aminopyridine 6 11.8 0.7 11.1
Carbonic acid derivative 6 11.8 2.6 9.2
Phenoxy compound 6 11.8 11.4 0.4
Phenol ether 6 11.8 13.0 1.2
Dialkylarylamine 6 11.8 3.4 8.3
Indolyl carboxylic acid derivative 6 11.8 0.6 11.2
Substituted pyrrole 6 11.8 3.9 7.9
Tertiary carboxylic acid amide 6 11.8 12.0 0.2
Organohalogen compound 6 11.8 14.1 2.3
Aryl halide 6 11.8 10.8 1.0
Amine 6 11.8 25.0 13.3
Meta-thiazoline 5 9.8 0.5 9.3
Pyrrolidine carboxylic acid or derivatives 5 9.8 2.1 7.7
Proline or derivatives 5 9.8 1.7 8.1
N-acylpyrrolidine 5 9.8 1.8 8.0
Pyrrolidine 5 9.8 5.8 4.0
Pyrrolidine carboxylic acid 5 9.8 1.4 8.4
Alpha-amino acid amide 5 9.8 4.1 5.7
Secondary carboxylic acid amide 5 9.8 15.3 5.5
Aromatic homomonocyclic compound 4 7.8 9.6 1.8
Halobenzene 4 7.8 6.1 1.7
Organofluoride 4 7.8 5.2 2.7
Aryl fluoride 4 7.8 3.2 4.6
Fluorobenzene 4 7.8 2.1 5.7
Aryl alkyl ketone 3 5.9 3.2 2.7
Piperidine 3 5.9 9.4 3.5
Tertiary amine 3 5.9 14.6 8.7
Tertiary aliphatic amine 3 5.9 13.7 7.8
Oxacycle 3 5.9 27.5 21.6
Carboxylic acid derivative 3 5.9 35.2 29.3
Isoleucine or derivatives 2 3.9 0.3 3.6
Valine or derivatives 2 3.9 1.3 2.6
Aryl chloride 2 3.9 7.2 3.3
Imine 2 3.9 1.6 2.3
Organochloride 2 3.9 8.7 4.8
Urea 2 3.9 2.8 1.1
Primary aromatic amine 2 3.9 3.3 0.6
Primary amine 2 3.9 6.3 2.4
Pyrimidine 2 3.9 4.5 0.5
Aralkylamine 2 3.9 10.5 6.6
Lactam 2 3.9 10.3 6.4
Benzoyl 2 3.9 7.2 3.3
Gamma-aminoketone 2 3.9 0.4 3.5
Alkyl-phenylketone 2 3.9 1.0 2.9
Benzenesulfonamide 2 3.9 1.9 2.1
Organosulfonic acid amide 2 3.9 2.6 1.4
Aminosulfonyl compound 2 3.9 3.1 0.8
Organosulfur compound 2 3.9 7.6 3.7
Organosulfonic acid or derivatives 2 3.9 3.6 0.4
Sulfonyl 2 3.9 4.0 0.0
Organic sulfonic acid or derivatives 2 3.9 3.6 0.4
Benzenesulfonyl group 2 3.9 2.7 1.3
Phenylbutylamine 2 3.9 0.8 3.1
Benzopyran 2 3.9 10.7 6.8
Coumarin 2 3.9 5.6 1.6
Pyranone 2 3.9 10.1 6.2
Pyran 2 3.9 10.7 6.8
1-benzopyran 2 3.9 10.7 6.8
Lactone 2 3.9 12.7 8.8
Anilide 2 3.9 1.6 2.3
N-arylamide 2 3.9 1.7 2.2
Leucine or derivatives 1 2.0 0.7 1.3
1,2-dichlorobenzene 1 2.0 0.4 1.6
Isocyanate 1 2.0 0.0 1.9
Toluene diisocyanate 1 2.0 0.0 1.9
Methoxybenzene 1 2.0 7.9 5.9
Beta-carboline 1 2.0 2.4 0.4
Alpha-dipeptide 1 2.0 1.9 0.0
Dicarboximide 1 2.0 1.6 0.3
Pyridoindole 1 2.0 2.0 0.0
Hydantoin 1 2.0 0.8 1.2
Imidazolidine 1 2.0 1.1 0.9
Alanine or derivatives 1 2.0 1.3 0.6
Imidazolidinone 1 2.0 1.1 0.9
Ureide 1 2.0 1.0 0.9
Anisole 1 2.0 13.4 11.5
N-acyl urea 1 2.0 1.0 0.9
1,3,5-triazine 1 2.0 0.3 1.6
Aniline or substituted anilines 1 2.0 3.6 1.6
2,4-diamine-s-triazine 1 2.0 0.1 1.8
Quinazoline 1 2.0 1.1 0.9
Hydroxypyrimidine 1 2.0 0.4 1.6
Pyridopyrimidine 1 2.0 0.2 1.8
Pyrimidone 1 2.0 2.1 0.1
Amino acid 1 2.0 2.9 1.0
Dialkylthioether 1 2.0 1.9 0.1
Thiazolidine 1 2.0 0.5 1.5
Secondary amine 1 2.0 5.3 3.3
Thioether 1 2.0 3.2 1.2
P-toluenesulfonamide 1 2.0 0.3 1.6
N-arylpiperazine 1 2.0 1.6 0.4
Butyrophenone 1 2.0 0.6 1.4
Piperazine 1 2.0 2.9 0.9
1,4-diazinane 1 2.0 2.9 0.9
N-alkylpiperazine 1 2.0 3.1 1.1
Pyridinylpiperazine 1 2.0 0.1 1.9
Trialkyl phosphate 1 2.0 0.1 1.9
Aliphatic acyclic compound 1 2.0 1.9 0.0
Toluene 1 2.0 2.3 0.4
2-benzopyran 1 2.0 0.7 1.3
Isocoumarin 1 2.0 0.6 1.4
Aminopyrazine 1 2.0 0.1 1.8
1-hydroxy-2-unsubstituted benzenoid 1 2.0 8.9 6.9
Vinylogous acid 1 2.0 5.4 3.4
1-hydroxy-4-unsubstituted benzenoid 1 2.0 5.3 3.3
Chromone 1 2.0 3.1 1.2
Ketone 1 2.0 11.9 9.9
Acetamide 1 2.0 0.6 1.4
Aryl ketone 1 2.0 4.6 2.6
N-acetylarylamine 1 2.0 0.1 1.8
Acetanilide 1 2.0 0.1 1.8
2,2-dimethyl-1-benzopyran 1 2.0 1.5 0.4
Aldehyde 1 2.0 1.1 0.9
Pyridinone 1 2.0 2.6 0.7
Cytisine 1 2.0 2.0 0.0
1-piperidinecarboxamide 1 2.0 0.5 1.5
Beta amino acid or derivatives 1 2.0 0.5 1.5
Piperidinecarboxamide 1 2.0 2.0 0.1
Imidazole 1 2.0 4.0 2.1
N-substituted imidazole 1 2.0 3.2 1.2
Azole 1 2.0 8.1 6.1
Diphenylmethane 1 2.0 2.1 0.1
Benzimidazole 1 2.0 0.9 1.1
Phenylacetamide 1 2.0 0.8 1.2
Alcohol 1 2.0 18.9 17.0
Primary alcohol 1 2.0 5.5 3.5

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
CCMSLIB00000004379.ms 358.1220 358.1220 Rosiglitazone M+H 1.000 0.050
CCMSLIB00000005271.ms 358.1220 358.1220 RosiglitazoneMaleate M+H 1.000 0.050
CCMSLIB00000579636.ms 161.9872 161.9872 "3,4-Dichloroaniline" M+H 1.000 0.033
CCMSLIB00000080558.ms 439.1976 439.1976 "MLS001159164-01!(2R)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]-3-phenylpropanoic acid" M+H 0.969 0.635
CCMSLIB00000080481.ms 453.2132 453.2132 "MLS001158630-01!(2S)-2-[[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-3-phenylpropanoic acid" M+H 0.966 0.678
CCMSLIB00000080600.ms 453.2132 453.2132 "MLS001158640-01!(2R)-2-[[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-3-phenylpropanoic acid" M+H 0.950 0.690
CCMSLIB00000079649.ms 492.2241 492.2241 "MLS001158944-01!(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoic acid" M+H 0.946 0.684
CCMSLIB00000080235.ms 453.2132 453.2132 "MLS001159166-01!(2R)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-3-phenylpropanoic acid" M+H 0.942 0.688
CCMSLIB00000080011.ms 492.2241 492.2241 "MLS001159168-01!(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoic acid" M+H 0.939 0.689
CCMSLIB00000084871.ms 358.1220 358.1220 MLS001401416-01!ROSIGLITAZONE HCl M+H 0.924 0.235
CCMSLIB00000080483.ms 478.2085 478.2085 "MLS001157897-01!(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoic acid" M+H 0.901 0.641
CCMSLIB00000579566.ms 119.0604 119.0604 Indazole M+H 0.901 0.097
CCMSLIB00000080135.ms 478.2085 478.2085 "MLS001157907-01!(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoic acid" M+H 0.898 0.634
CCMSLIB00000079963.ms 403.1976 403.1976 "MLS001159171-01!(2S)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid" M+H 0.873 0.643
CCMSLIB00000080605.ms 403.1976 403.1976 "MLS001158670-01!(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid" M+H 0.823 0.590
CCMSLIB00000079855.ms 389.1819 389.1819 "MLS001158924-01!(2S)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid" M+H 0.815 0.620
CCMSLIB00000079904.ms 397.1506 397.1506 "MLS001158993-01!(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid" M+H 0.813 0.615
CCMSLIB00000080571.ms 439.1976 439.1976 "MLS001158660-01!(2S)-2-[[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-2-phenylacetic acid" M+H 0.810 0.576
CCMSLIB00000078510.ms 358.1220 358.1220 Rosiglitazone (Avandia) [M+H] 0.794 0.050
CCMSLIB00000579695.ms 204.9930 204.9930 "0428_3,4-Dichlorophenylurea" M+H 0.789 0.050
CCMSLIB00000080116.ms 439.1976 439.1976 "MLS001159163-01!(2S)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]-3-phenylpropanoic acid" M+H 0.768 0.618
CCMSLIB00000080575.ms 403.1976 403.1976 "MLS001159172-01!(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid" M+H 0.741 0.568
CCMSLIB00000079917.ms 487.1976 487.1976 "MLS001159173-01!(2S)-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid" M+H 0.718 0.485
CCMSLIB00000079373.ms 389.1819 389.1819 "MLS001158620-01!(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid" M+H 0.685 0.500
CCMSLIB00000078962.ms 358.1220 358.1220 ROSIGLITAZONE HCl [M+H] 0.677 0.050
CCMSLIB00000579628.ms 175.0502 175.0502 "0376_2,4-Toluene diisocyanate" M+H 0.648 0.398
CCMSLIB00000424718.ms 659.2674 659.2674 3,5,7,15-tetraacetoxy-2-hydroxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene (2) M+Na 0.606 0.051
CCMSLIB00000079755.ms 397.1506 397.1506 "MLS001158983-01!(2S)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid" M+H 0.560 0.488
CCMSLIB00000080066.ms 434.2187 434.2187 "MLS001160011-01!N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide" M+H 0.524 0.620
CCMSLIB00000079547.ms 492.2241 492.2241 "MLS001159167-01!(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoic acid" M+H 0.512 0.492
CCMSLIB00000079753.ms 492.2241 492.2241 "MLS001158650-01!(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoic acid" M+H 0.493 0.327
CCMSLIB00000579627.ms 426.1691 426.1691 Domperidone M+H 0.295 0.372
CCMSLIB00000080604.ms 477.2132 477.2132 MLS001141022-01! M+H 0.264 0.016
CCMSLIB00000085382.ms 188.0931 188.0931 MLS000766899-01! M+H 0.211 0.099
CCMSLIB00000006576.ms 426.1691 426.1691 Domperidone M+H 0.195 0.275
CCMSLIB00000079960.ms 392.1717 392.1717 "MLS001032155-01!N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide" M+H 0.179 0.390
CCMSLIB00000080410.ms 147.0553 147.0553 MLS000551010-01!1H-quinazolin-4-one M+H 0.160 0.275
CCMSLIB00000084992.ms 394.1925 394.1925 MLS001148188-01! M+H 0.153 0.097
CCMSLIB00000078806.ms 211.0536 211.0536 NCGC00160312-01!2-Pyridin-3-yl-thiazolidine-4-carboxylic acid M+H 0.140 0.121
CCMSLIB00000579529.ms 172.0427 172.0427 0315_p-Toluenesulfonamide M+H 0.138 0.101
CCMSLIB00000085692.ms 328.1820 328.1820 MLS002154163-01!Azaperone1649-18-9 M+H 0.132 0.083
CCMSLIB00000579622.ms 183.0781 183.0781 0821_triethylphosphate M+H 0.124 0.011
CCMSLIB00000080375.ms 422.1598 422.1598 "MLS001075491-01!(2S)-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]-3-phenylpropanoic acid" M+H 0.114 0.016
CCMSLIB00000579648.ms 200.0740 200.0740 N-Ethyl-o-toluenesulfonamide M+H 0.110 0.097
CCMSLIB00000079624.ms 418.1285 418.1285 MLS001141251-01!(2S)-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-phenylpropanoic acid M+H 0.092 0.016
CCMSLIB00000085900.ms 306.0865 306.0865 MLS000860083-01!Phenamil methanesulfonate salt M+H 0.091 0.097
CCMSLIB00000080165.ms 399.1551 399.1551 "MLS001160273-01!N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide" M+H 0.084 0.101
CCMSLIB00000078601.ms 291.1856 291.1856 Azatadine maleate [M+H] 0.062 0.059
CCMSLIB00000080366.ms 399.1827 399.1827 MLS001142921-01! M+H 0.062 0.048
CCMSLIB00000085145.ms 462.2351 462.2351 MLS001077311-01!2062-78-4 M+H 0.058 0.276
CCMSLIB00000078342.ms 285.1598 285.1598 Tropicamide [M+H] 0.051 0.018

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: