Mass2Motif: motif_29

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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: 1-naphthalenamine substructure (or isomeric substructure)

Short Annotation: 1-naphthalenamine substructure (or isomeric 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 0.9999999999999998. 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_143.0725 0.169
  • Cc1ccc2ccccc2n1 (3)
  • CCc1cccc2cc[nH]c12 (2)
  • Nc1ccc2ccccc2c1 (2)
  • Nc1cccc2ccccc12 (2)
  • cc(CCN)c1ccccc1 (1)
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  • C=C(C)C(=O)OCC(C)O (1)
  • CCC1CNc2ccccc21 (1)
  • CCc1c[nH]c2ccccc12 (1)
  • COC1CCOCC1OC (1)
  • cc(C)cn-c1ccccc1 (1)
  • c1ccc(cc1)-n1cccc1 (1)
fragment_115.0325 0.083
  • Cc1cnc(N)s1 (5)
  • Cc1cc(N)sn1 (1)
  • Cn1ccnc1=S (1)
fragment_442.2225 0.064
  • CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C (3)
loss_77.0375 0.047
  • c1ccccc1 (5)
fragment_141.0125 0.041
  • Cc1cnc(NC=O)s1 (5)
  • Cc1cc(NC=O)sn1 (1)
fragment_142.0675 0.040
  • Cc1ccc2ccccc2n1 (3)
  • Nc1ccc2ccccc2c1 (1)
  • CCC1CNc2ccccc21 (1)
  • Cc1cnc2ccccc2c1 (1)
  • c1ccc(cc1)-n1cccc1 (1)
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fragment_220.1125 0.039
  • c1ccc(Nc2ccc3ccccc3c2)cc1 (2)
  • c1ccc(Nc2cccc3ccccc23)cc1 (2)
  • Cc1cc2ccccc2nc1-c1ccccc1 (1)
fragment_115.0525 0.029
  • cccc1ccccc1 (2)
  • cc(C)c1ccccc1 (2)
  • ccc1ccccc1c (1)
  • CCCc1ccccc1 (1)
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fragment_443.2275 0.028
loss_172.0625 0.017
  • N#CC1Nc2ccccc2C2OC12 (1)
  • Cn1ccc2cc(ccc21)NC=O (1)
fragment_175.0375 0.017
  • COc1ccc2ccc(=O)oc2c1 (1)
  • Cc1c(O)c2ccccc2oc1=O (1)
loss_193.1225 0.017
  • CCCCCC(O)c1cccc(O)c1 (1)
fragment_191.0325 0.017
  • COc1cc(C)c(C=O)c(O)c1C=O (1)
loss_28.0075 0.017
  • nn (1)
fragment_454.1775 0.016
  • [nH]nc-c1cc(=O)c2ccc(cc2o1)NC(=O)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_352.0425 0.016
  • Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 (2)
fragment_482.1875 0.014
loss_105.0575 0.014
  • cNc1ccccc1 (2)
fragment_128.0625 0.014
  • c1ccc2ccccc2c1 (2)
loss_92.0475 0.013
  • CC(=O)O.CO (1)
loss_194.1325 0.013
  • CCCCCC(O)c1cccc(O)c1 (1)
fragment_144.0825 0.011
  • CCOC(CC)CC(=O)O (2)
  • CCc1c[nH]c2ccccc12 (1)
  • c1ccc(cc1)-n1cccc1 (1)
fragment_142.0475 0.008
  • CC1=NC(CO1)C(=O)CO (3)
fragment_121.0275 0.007
  • oc1ccccc1cO (1)
  • O=Cc1ccc(O)cc1 (1)
fragment_143.0625 0.007
loss_188.0675 0.007
loss_146.0825 0.006
fragment_187.0525 0.006
  • CCOC(=O)n1ccn(C)c1=S (1)
fragment_483.1825 0.006
loss_27.0025 0.006
  • nn (1)
fragment_455.1775 0.006
  • [nH]nc-c1cc(=O)c2ccc(cc2o1)NC(=O)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_140.0475 0.006
  • ccccNc1ccccc1 (1)
  • ccc(C)n-c1ccccc1 (1)
fragment_266.0775 0.005
fragment_253.1225 0.005
  • O=Cc1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_353.1275 0.005
  • O=Cc1ccccc1Nc1cccc(c1)OCc1ccc2ccccc2n1 (1)
fragment_294.0725 0.005
  • COc1ccc(cc1)C(=O)Nc1ccc2c(=O)ccoc2c1 (1)
fragment_400.2125 0.005
  • CC1=NC2(C(=O)CO)C(CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC32C)O1 (2)
loss_76.0375 0.005
  • c1ccccc1 (1)
loss_56.0175 0.005
fragment_426.1675 0.004
  • c-c1cc(=O)c2ccc(cc2o1)NC(=O)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_116.0325 0.004
fragment_183.0675 0.004
  • Oc1cccc(c1)Nc1ccccc1 (1)
loss_130.0275 0.004
  • C.CC(=O)OCC=O.O (2)
loss_192.1175 0.004
  • CCCCCC(O)c1cccc(O)c1 (1)
fragment_147.0925 0.004
  • Cn1ccc2cc(N)ccc21 (1)
loss_140.0125 0.004
loss_104.0475 0.004
loss_18.0125 0.004
  • O (3)
  • o (1)
loss_78.0475 0.003
  • c1ccccc1 (3)
loss_155.0275 0.003
  • C.Cc1cc(NC=O)sn1 (1)
fragment_132.0675 0.003
  • Nc1ccc2nccc2c1 (1)
fragment_202.0775 0.003
loss_142.0275 0.003
fragment_444.2275 0.003
fragment_128.0475 0.003
  • c1ccc2ncccc2c1 (3)
  • CC1CNc2ccccc21 (1)
fragment_116.0475 0.003
  • cc1ccccc1cN (1)
loss_55.0075 0.003
  • nn[nH]n (1)
fragment_427.1725 0.003
  • c-c1cc(=O)c2ccc(cc2o1)NC(=O)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_318.1825 0.003
  • CCCCCCc1cccc(c1)OCc1ccc2ccccc2n1 (1)
fragment_218.0975 0.003
fragment_204.0825 0.003
fragment_92.0475 0.003
  • Nc1ccccc1 (3)
  • Cc1cccnc1 (1)
fragment_312.1975 0.003
  • CC12C=CC(=O)C=C1CCC1C2CCC2(C)C1CC1OC=NC12 (1)
loss_196.1475 0.003
fragment_117.0275 0.003
  • CcscNC=O (2)
fragment_209.1175 0.002
  • CC(C)c1ccc(cc1)OCC(O)CO (1)
fragment_219.1025 0.002
  • c1ccc(Nc2cccc3ccccc23)cc1 (1)
loss_199.0425 0.002
  • CNCC(=O)Nc1ncc(C)s1.O (3)
fragment_116.0625 0.002
  • ccc1ccccc1c (1)
  • cccc1ccccc1 (1)
fragment_145.0775 0.002
fragment_248.1075 0.002
  • Cc1cccc(c1)OCc1ccc2ccccc2n1 (1)
loss_88.0875 0.002
  • CCCCC.O (1)
fragment_176.0425 0.002
  • COc1ccc2ccc(=O)oc2c1 (1)
loss_84.0075 0.002
  • O.c1nn[nH]n1 (1)
fragment_398.1725 0.002
  • O=c1ccoc2cc(ccc12)NCc1ccc(cc1)OCCCCc1ccccc1 (1)
loss_160.0725 0.002
loss_16.0325 0.002
fragment_211.0625 0.002
  • O=Cc1ccccc1Nc1cccc(O)c1 (1)
loss_128.0625 0.002
  • c1ccc2ccccc2c1 (2)
fragment_295.0825 0.002
fragment_353.0425 0.002
fragment_267.0825 0.002
loss_96.0275 0.002
  • CC1=CC(=O)OC1 (1)
fragment_437.1525 0.002
loss_45.0325 0.002
  • nn[nH] (1)
  • N.nn (1)
loss_18.0375 0.002
fragment_228.0375 0.002
  • [nH]nc-c1cc(=O)c2ccc(cc2o1)NC=O (1)
fragment_192.0375 0.002
  • COc1cc(C)c(C=O)c(O)c1C=O (1)
fragment_148.0475 0.002
  • CCOc1ccc(C=O)cc1 (1)
fragment_152.9975 0.002
  • O=Cc1ccccc1[SH]=O (1)
  • Cc1ccccc1[SH](=O)=O (1)
fragment_456.1825 0.002
loss_26.0025 0.002
fragment_133.1025 0.002
  • CCCCc1ccccc1 (1)
fragment_159.0225 0.002
  • Cn1ccn(C(=O)O)c1=S (1)
fragment_143.0075 0.001
loss_187.0975 0.001
fragment_124.0375 0.001
  • CC(=O)C1COC(C)=N1 (1)
loss_18.0325 0.001
fragment_424.2125 0.001
  • CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3CCC12C (1)
fragment_464.1725 0.001
  • O=C(Nc1ccc(cc1)c(=O)cc-c1nn[nH]n1)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_142.0125 0.001
loss_91.0475 0.001
  • Nc1ccccc1 (1)
fragment_129.0625 0.001
fragment_335.1125 0.001
fragment_382.2025 0.001
  • CC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C (1)
loss_176.0325 0.001
  • cc1coc(cc1=O)-c1nn[nH]n1 (1)
fragment_306.1475 0.001
  • cc(c)NC(=O)c1ccc(cc1)OCCCCc1ccccc1 (1)
fragment_174.0975 0.001
loss_36.0225 0.001
loss_199.0675 0.001
fragment_399.1775 0.001
  • O=c1ccoc2cc(ccc12)NCc1ccc(cc1)OCCCCc1ccccc1 (1)
loss_83.0025 0.001
  • O.c1nn[nH]n1 (1)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 25 69.4 78.1 8.7
Organic nitrogen compound 21 58.3 60.8 2.5
Organonitrogen compound 21 58.3 60.8 2.4
Organopnictogen compound 18 50 46.6 3.4
Benzenoid 17 47.2 45.0 2.2
Organic oxygen compound 17 47.2 69.8 22.5
Organooxygen compound 17 47.2 68.4 21.1
Organic oxide 16 44.4 62.0 17.5
Azacycle 15 41.7 46.4 4.7
Heteroaromatic compound 15 41.7 36.8 4.9
Aromatic heteropolycyclic compound 14 38.9 40.3 1.4
Monocyclic benzene moiety 12 33.3 26.6 6.7
Ether 10 27.8 30.9 3.2
Carboxylic acid derivative 10 27.8 35.2 7.4
Oxacycle 8 22.2 27.5 5.3
Amine 7 19.4 25.0 5.6
Carbonyl group 7 19.4 41.3 21.9
Aniline or substituted anilines 6 16.7 3.6 13.1
Secondary amine 6 16.7 5.3 11.4
Alkyl aryl ether 6 16.7 24.7 8.1
Carboxylic acid 5 13.9 13.3 0.6
Pyrrole 5 13.9 7.6 6.3
Monocarboxylic acid or derivatives 5 13.9 19.7 5.8
Aromatic homopolycyclic compound 4 11.1 2.3 8.8
Naphthalene 4 11.1 1.9 9.2
Benzoyl 4 11.1 7.2 3.9
Benzoic acid or derivatives 4 11.1 3.3 7.8
Carboxylic acid ester 4 11.1 13.9 2.8
Phenoxy compound 4 11.1 11.4 0.2
Phenol ether 4 11.1 13.0 1.9
Indole 4 11.1 6.9 4.2
Carboxamide group 4 11.1 24.1 13.0
Lactone 4 11.1 12.7 1.6
Dialkyl ether 4 11.1 7.7 3.4
3-alkylindole 4 11.1 4.9 6.2
Aromatic homomonocyclic compound 3 8.3 9.6 1.3
Substituted pyrrole 3 8.3 3.9 4.5
Secondary carboxylic acid amide 3 8.3 15.3 6.9
Pyranone 3 8.3 10.1 1.8
Pyran 3 8.3 10.7 2.4
Pyridine 3 8.3 8.5 0.2
Aromatic heteromonocyclic compound 3 8.3 14.3 5.9
Organoheterocyclic compound 3 8.3 38.0 29.7
Benzoic acid 2 5.6 1.3 4.3
Azole 2 5.6 8.1 2.5
Benzamide 2 5.6 1.8 3.8
Quinoline 2 5.6 0.9 4.6
Organosulfur compound 2 5.6 7.6 2.0
Benzopyran 2 5.6 10.7 5.2
1-benzopyran 2 5.6 10.7 5.2
Phenylpropane 2 5.6 1.6 3.9
Alpha,beta-unsaturated carboxylic ester 2 5.6 2.9 2.7
Enoate ester 2 5.6 2.9 2.7
Dicarboxylic acid or derivatives 2 5.6 4.2 1.4
Indolyl carboxylic acid derivative 2 5.6 0.6 5.0
Methylpyridine 2 5.6 0.7 4.9
Vinylogous acid 1 2.8 5.4 2.6
Methoxyphenol 1 2.8 1.4 1.4
1-hydroxy-4-unsubstituted benzenoid 1 2.8 5.3 2.5
Phenol ester 1 2.8 0.3 2.4
Methoxybenzene 1 2.8 7.9 5.1
P-xylene 1 2.8 0.1 2.7
O-methoxybenzoic acid or derivatives 1 2.8 0.1 2.7
Xylene 1 2.8 0.8 1.9
Meta_phthalic_acid 1 2.8 0.0 2.7
O-cresol 1 2.8 0.2 2.6
Hydroxybenzoic acid 1 2.8 0.4 2.3
O-hydroxybenzoic acid ester 1 2.8 0.1 2.7
Phthalate ester 1 2.8 0.0 2.7
Benzoate ester 1 2.8 1.5 1.3
Salicylic acid 1 2.8 0.3 2.5
P-methoxybenzoic acid or derivatives 1 2.8 0.4 2.4
Depside backbone 1 2.8 0.1 2.7
Toluene 1 2.8 2.3 0.4
Meta-phthalic acid ester 1 2.8 0.0 2.7
Phenol 1 2.8 6.8 4.1
Anisole 1 2.8 13.4 10.6
Salicylic acid or derivatives 1 2.8 0.5 2.2
P-xylenol 1 2.8 0.1 2.7
Xylenol 1 2.8 0.1 2.7
M-cresol 1 2.8 0.3 2.5
N-alkylindole 1 2.8 0.7 2.1
Urea 1 2.8 2.8 0.0
Thiazole 1 2.8 1.7 1.1
N-methylpyrrole 1 2.8 0.5 2.3
Chromone 1 2.8 3.1 0.3
Tetrazole 1 2.8 0.4 2.4
Aminophenyl ether 1 2.8 0.7 2.1
Vinylogous amide 1 2.8 4.9 2.1
Amino acid or derivatives 1 2.8 10.7 7.9
Amino acid 1 2.8 2.9 0.2
Aminobenzoic acid or derivatives 1 2.8 0.6 2.2
Aminobenzoic acid 1 2.8 0.3 2.5
Imidazole-2-thione 1 2.8 0.0 2.7
N-substituted imidazole 1 2.8 3.2 0.4
Imidazole-1-carbonyl group 1 2.8 0.0 2.7
Carbonic acid derivative 1 2.8 2.6 0.2
Thiourea 1 2.8 0.5 2.3
Vinylogous ester 1 2.8 1.7 1.1
Angular pyranocoumarin 1 2.8 0.9 1.9
Secondary alcohol 1 2.8 14.3 11.6
Alcohol 1 2.8 18.9 16.2
Diphenylmethane 1 2.8 2.1 0.7
Tetrahydroquinoline 1 2.8 0.5 2.3
Nitrile 1 2.8 1.0 1.8
Tertiary carboxylic acid amide 1 2.8 12.0 9.2
Carbonitrile 1 2.8 1.0 1.8
Oxirane 1 2.8 1.2 1.6
Cyanide 1 2.8 0.1 2.7
Dihydrofuran 1 2.8 0.6 2.2
2-furanone 1 2.8 0.5 2.3
Thiocarbonyl group 1 2.8 0.1 2.7
Dihydroindole 1 2.8 0.4 2.3
Pyrrolidine 1 2.8 5.8 3.0
Thiolactam 1 2.8 0.0 2.8
Imidolactam 1 2.8 3.8 1.0
Carboxylic acid amidrazone 1 2.8 0.0 2.8
Phthalazine 1 2.8 0.0 2.8
Pyridazine 1 2.8 0.2 2.6
Hydrazone 1 2.8 0.1 2.7
Halobenzene 1 2.8 6.1 3.3
Aryl chloride 1 2.8 7.2 4.4
Organohalogen compound 1 2.8 14.1 11.3
Coumarin 1 2.8 5.6 2.8
N-acyl-alpha-amino acid 1 2.8 4.4 1.6
Chlorobenzene 1 2.8 4.2 1.4
3-phenylpropanoic-acid 1 2.8 1.4 1.3
Organochloride 1 2.8 8.7 5.9
Aryl halide 1 2.8 10.8 8.0
Phenylalanine or derivatives 1 2.8 1.6 1.1
Amphetamine or derivatives 1 2.8 2.8 0.0
N-acyl-alpha amino acid or derivatives 1 2.8 6.4 3.6
1-phenylpyrrole 1 2.8 0.0 2.8
Aryl-aldehyde 1 2.8 0.1 2.6
Aldehyde 1 2.8 1.1 1.7
Glycosyl compound 1 2.8 2.4 0.4
Acetal 1 2.8 4.4 1.7
Macrolide 1 2.8 1.6 1.2
O-glycosyl compound 1 2.8 1.7 1.1
Monosaccharide 1 2.8 2.8 0.0
Oxane 1 2.8 3.4 0.6
Aliphatic heteropolycyclic compound 1 2.8 3.5 0.8
Pyridinone 1 2.8 2.6 0.1
Lactam 1 2.8 10.3 7.6
Dihydropyridine 1 2.8 0.5 2.3
Carboximidic acid 1 2.8 3.9 1.1
Organic 1,3-dipolar compound 1 2.8 9.9 7.2
Propargyl-type 1,3-dipolar organic compound 1 2.8 9.9 7.1
Carboximidic acid derivative 1 2.8 4.9 2.1
2-phenylpyridine 1 2.8 0.6 2.2
Pyridine carboxylic acid or derivatives 1 2.8 1.7 1.0
Phenylquinoline 1 2.8 0.3 2.4
Quinoline-4-carboxamide 1 2.8 0.0 2.7
Aralkylamine 1 2.8 10.5 7.7
2-arylethylamine 1 2.8 0.1 2.7
Primary aliphatic amine 1 2.8 2.8 0.1
Tryptamine 1 2.8 0.3 2.5
Primary amine 1 2.8 6.3 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
CCMSLIB00000579902.ms 220.1121 220.1121 N-phenyl-1-naphthylamine M+H 1.000 0.259
CCMSLIB00000085195.ms 352.0420 352.0420 MLS001306413-01!Meloxicam71125-38-7 M+H 1.000 0.135
CCMSLIB00000579903.ms 220.1121 220.1121 N-Phenyl-2-naphthylamin M+H 1.000 0.259
CCMSLIB00000085169.ms 352.0420 352.0420 MLS002222336-01!71125-38-7 M+H 1.000 0.130
CCMSLIB00000085616.ms 352.0420 352.0420 MLS000028587-01!MELOXICAM M+H 0.965 0.134
CCMSLIB00000077137.ms 352.0420 352.0420 Meloxicam [M+H] 0.960 0.142
CCMSLIB00000005301.ms 442.2224 442.2224 Deflazacort M+H 0.910 0.072
CCMSLIB00000080378.ms 220.1121 220.1121 MLS002608023-01! M+H 0.894 0.366
CCMSLIB00000078263.ms 352.0420 352.0420 Meloxicam (Mobic) [M+H] 0.888 0.140
CCMSLIB00000085761.ms 336.1958 336.1958 MLS001076522-01!REV 5901 M+H 0.865 0.294
CCMSLIB00000078329.ms 442.2224 442.2224 Deflazacort (Calcort) [M+H] 0.849 0.120
CCMSLIB00000079786.ms 391.1024 391.1024 MLS000563108-01! M+H 0.806 0.018
CCMSLIB00000085819.ms 287.0961 287.0961 MLS000862184-01!SB 204741 M+H 0.781 0.152
CCMSLIB00000079469.ms 220.1121 220.1121 MLS002415761-01! M+H 0.745 0.334
CCMSLIB00000078304.ms 482.1823 482.1823 Pranlukast [M+H] 0.642 0.122
CCMSLIB00000085885.ms 371.1390 371.1390 MLS002153402-01!SR 2640 M+H 0.591 0.263
CCMSLIB00000078639.ms 187.0536 187.0536 Carbimazole [M+H] 0.554 0.103
CCMSLIB00000005310.ms 442.2224 442.2224 Deflazacort M+H 0.504 0.110
CCMSLIB00000081261.ms 231.1016 231.1016 Norpterphyllin III M+H 0.499 0.026
CCMSLIB00000085424.ms 513.2483 513.2483 MLS001333624-01!Bisphenol A glycerolate dimethacrylate1565-94-2 M+H 0.477 0.173
CCMSLIB00000079351.ms 277.0972 277.0972 "MLS000728601-01!(2S)-3-benzoyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinoline-2-carbonitrile" M+H 0.465 0.017
CCMSLIB00000005307.ms 442.2224 442.2224 Deflazacort M+H 0.389 0.028
CCMSLIB00000078733.ms 240.1019 240.1019 "NCGC00160263-01!2-(3-Methyl-5-oxo-2,5-dihydro-furan-2-ylmethyl)-quinoline" M+H 0.357 0.213
CCMSLIB00000080338.ms 235.0358 235.0358 MLS000728634-01! M+H 0.238 0.241
CCMSLIB00000005768.ms 161.0822 161.0822 HydralazineHCl M+H 0.171 0.004
CCMSLIB00000085429.ms 288.1594 288.1594 MLS001077315-01! M+H 0.158 0.194
CCMSLIB00000079560.ms 402.0739 402.0739 MLS001141360-01!3-(4-chlorophenyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid M+H 0.138 0.019
CCMSLIB00000080171.ms 172.0757 172.0757 MLS001049034-01!1-phenylpyrrole-2-carbaldehyde M+H 0.127 0.261
CCMSLIB00000579859.ms 170.0964 170.0964 Diphenylamin M+H 0.107 0.053
CCMSLIB00000070246.ms 833.4893 833.4893 Cyanolide A M+H 0.097 0.169
CCMSLIB00000006121.ms 288.1594 288.1594 Etodolac M+H 0.088 0.180
CCMSLIB00000085895.ms 473.1294 473.1294 "MLS002172463-01!N-Acetyl-L-trytophan 3,5-bis(trifluoromethyl)benzyl ester148451-96-1" M+H 0.082 0.169
CCMSLIB00000085154.ms 186.0913 186.0913 MLS000860042-01!Pirfenidone M+H 0.076 0.203
CCMSLIB00000079440.ms 203.1179 203.1179 MLS001250169-01! M+H 0.069 0.210
CCMSLIB00000085323.ms 381.1961 381.1961 MLS000862200-01!SB 222200 M+H 0.055 0.079
CCMSLIB00000077203.ms 161.1073 161.1073 Tryptmanine M+H 0.053 0.200

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: