Mass2Motif: motif_8

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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: 2-(5-Methoxy-1H-indol-3-yl)ethyl substructure

Short Annotation: 2-(5-Methoxy-1H-indol-3-yl)ethyl 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 0.9999999999999999. 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_174.0925 0.221
  • CCc1c[nH]c2cc(ccc12)OC (11)
  • CCc1c[nH]c2ccc(cc12)OC (9)
  • COc1ccc2nc(C)c(C)c2c1 (4)
  • CC1CCc2cc(ccc2N1)CO (1)
  • COc1ccc2CN(C)CCc2c1 (1)
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  • CC(=O)N1CCc2ccccc2C1 (1)
fragment_159.0675 0.119
  • COc1ccc2c(C)c[nH]c2c1 (8)
  • CCc1c[nH]c2ccc(O)cc12 (7)
  • CCc1ccc2NC(=O)Cc2c1 (2)
  • CN=C(NC#N)NCCS (2)
  • Cc1cc(=O)c2ccccc2[nH]1 (2)
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  • COc1ccc2[nH]cc(C)c2c1 (1)
  • COc1ccc2[nH]c(C)cc2c1 (1)
  • CCc1c[nH]c2cc(O)ccc12 (1)
  • CC1COC(=N1)c1ccccc1 (1)
  • CCSCCNC(=O)CC (1)
loss_94.0525 0.044
  • Cc1nc[nH]c1C (4)
  • Nc1ccccn1 (1)
fragment_354.0525 0.036
fragment_131.0725 0.036
  • Cc1c[nH]c2ccccc12 (10)
  • CCC(CC(=O)O)OC (2)
  • Cc1cc2ccccc2[nH]1 (1)
  • CCc1cc(C)ccc1N (1)
  • COC(CCO)C(C)O (1)
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  • CCOC=CC(=O)OC (1)
  • COC(=O)CC(C)OC (1)
fragment_253.1225 0.028
  • CN=C(NC#N)NCCSCc1nc[nH]c1C (3)
fragment_117.0475 0.023
  • CN=CNCCS (4)
loss_136.0725 0.022
  • Cc1nc[nH]c1C.N#CN (2)
fragment_175.0925 0.021
  • CCc1c[nH]c2cc(ccc12)OC (5)
  • CCc1c[nH]c2ccc(cc12)OC (4)
fragment_143.0725 0.018
  • CCc1c[nH]c2ccccc12 (12)
  • Cc1[nH]c2ccccc2c1C (1)
  • Cc1ccc2NCCCc2c1 (1)
fragment_259.9975 0.018
loss_72.0425 0.013
  • CCN.CO (1)
  • C.Cnc=O (1)
  • CC=N.CO (1)
loss_158.0675 0.013
  • O=C1C(CCCN1O)N=CO (1)
fragment_133.0775 0.012
loss_99.0725 0.012
  • CC1(C)COC=N1 (1)
fragment_435.1575 0.012
fragment_114.0375 0.012
  • O=CNC1CNC1=O (1)
loss_55.0075 0.012
loss_60.0825 0.010
  • C.CNC (1)
loss_161.0825 0.010
  • COc1ccc2c(C)c[nH]c2c1 (6)
  • CC(=O)NCc1ccc(C)cc1 (1)
  • COC(=O)CC(OC)C(C)O (1)
fragment_636.2625 0.010
  • O=CN(O)CCCC(N=C(O)C(CO)N=C(O)C1COC(c2ccccc2O)=N1)C(O)=NCCC(O)=NC1CCCN(O)C1=O (1)
loss_44.0475 0.009
  • CCN (1)
loss_29.0275 0.009
  • CN (1)
fragment_117.0425 0.008
  • CCNc1ccccn1 (2)
fragment_160.0425 0.008
  • CC1(C)SCNC1C(=O)O (1)
fragment_188.0825 0.008
loss_72.0725 0.008
fragment_294.1075 0.008
  • N=C(O)C(CO)N=C(O)C1COC(=N1)c1ccccc1O (1)
loss_27.9975 0.008
fragment_160.0825 0.007
loss_73.0525 0.007
  • CCN.CO (1)
loss_60.0425 0.007
  • CN.CO (2)
loss_130.0725 0.006
  • N.O=C1CCCCN1O (1)
fragment_407.1575 0.006
  • O=CN(O)CCCCN=C(O)C(CO)N=C(O)C1COC(=N1)c1ccccc1O (1)
fragment_506.1875 0.006
  • N=C(O)CCN=C(O)C(CCCN(O)C=O)N=C(O)C(CO)N=C(O)CCOCc1ccccc1O (1)
fragment_117.0575 0.006
  • c1ccc2[nH]ccc2c1 (2)
  • Cc1ccc(N)c(C)c1 (1)
fragment_240.1225 0.006
  • COC1C(O)CC2CN(C)CCC2C1C(=O)O (2)
fragment_148.0375 0.006
loss_125.1225 0.006
loss_88.0775 0.006
  • CN(C)C.CO (1)
fragment_202.0975 0.005
  • NC(C(=O)NC1CNC1)c1ccccc1 (1)
fragment_160.0725 0.005
  • COc1ccc2[nH]cc(C)c2c1 (1)
  • COc1ccc2[nH]c(C)cc2c1 (1)
  • CCCC=Cc1cc(=O)cc[nH]1 (1)
fragment_401.2075 0.005
  • COc1ccc2c3c([nH]c2c1)C1CC2C(CC(O)C(OC)C2C(=O)O)CN1CC3 (2)
fragment_132.0675 0.005
loss_76.0775 0.005
  • CC(C)N.O (1)
  • CNC.CO (1)
fragment_104.0475 0.005
loss_71.0225 0.004
fragment_202.1175 0.004
  • N=C(O)CCN=C(O)CCCCNO (1)
fragment_173.0825 0.004
  • cc1c[nH]c(C=CCCC)cc1=O (1)
loss_56.0175 0.004
  • Cnc=O (1)
loss_84.0325 0.004
fragment_637.2725 0.004
loss_173.0825 0.004
  • CCc1c[nH]c2cc(ccc12)OC (4)
fragment_277.0825 0.004
  • N=C(O)C(CO)N=C(O)CCOCc1ccccc1O (1)
fragment_106.0675 0.004
  • NCc1ccccc1 (1)
fragment_99.0675 0.004
  • CN=C(N)NC#N (2)
loss_154.0575 0.004
  • CCSCc1nc[nH]c1C (2)
fragment_188.1075 0.004
  • CCc1c(C)[nH]c2cc(ccc12)OC (2)
  • COC1C(O)CC(C)CC1C(=O)O (2)
fragment_118.0525 0.003
loss_70.0325 0.003
  • CC=NC.O (1)
fragment_417.1475 0.003
fragment_127.0325 0.003
fragment_130.0275 0.003
  • COC(=N)c1ccccc1 (1)
loss_72.0575 0.003
loss_45.0275 0.003
loss_61.0525 0.003
  • CN.CO (1)
fragment_143.0575 0.003
loss_69.0275 0.003
fragment_202.0875 0.003
loss_82.0175 0.003
fragment_226.1425 0.002
  • COC1C(O)CC2CN(C)CCC2C1CO (1)
loss_167.9875 0.002
fragment_186.0625 0.002
  • CNS(=O)c1ccccc1CO (2)
  • cC=C(NC)C(=O)Nc1ccccn1 (1)
fragment_158.0625 0.002
  • CCc1c[nH]c2ccc(O)cc12 (1)
  • COc1ccc2[nH]c(C)cc2c1 (1)
  • CCc1c[nH]c2cc(O)ccc12 (1)
fragment_211.0975 0.002
fragment_228.1225 0.002
  • COC1C(O)CC2CNCCC2C1C(=O)O (2)
fragment_387.2275 0.002
  • COc1ccc2c3c([nH]c2c1)C1CC2C(CC(O)C(OC)C2CO)CN1CC3 (1)
fragment_360.1875 0.002
  • O=C1C(CCCN1O)N=C(O)CCN=C(O)C(CCCNO)N=CO (1)
loss_76.0425 0.002
fragment_278.0075 0.002
loss_93.0475 0.002
fragment_261.0025 0.002
loss_42.0225 0.002
  • N#CN (1)
loss_126.1025 0.002
loss_108.0925 0.002
loss_71.0425 0.002
  • CCN.CO (1)
fragment_259.0725 0.002
  • N=CC(CO)N=C(O)CCOCc1ccccc1O (1)
loss_120.0325 0.002
fragment_234.0175 0.002
loss_43.0475 0.002
  • CCN (1)
fragment_507.1925 0.001
  • O=CN(O)CCCC(N=C(O)C(CO)N=C(O)C1COC(=N1)c1ccccc1O)C(O)=NCCCO (1)
fragment_222.1125 0.001
  • COC(=O)C1=COC(C)C2CN(C)CCC12 (1)
  • COC(=O)C1C(CCC2CNCCC21)OC (1)
loss_193.1125 0.001
  • CCc1c[nH]c2cc(ccc12)OC.O (1)
fragment_147.0825 0.001
fragment_408.1625 0.001
fragment_142.0575 0.001
  • NCC(=O)NC1CNC1=O (1)
fragment_200.1075 0.001
  • CCc1[nH]c2cc(ccc2c1CC)OC (1)
fragment_342.1825 0.001
fragment_210.1125 0.001
  • COC1C(O)CC2CNCCC2C1C=O (1)
fragment_115.0375 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Organic nitrogen compound 37 80.4 60.8 19.6
Hydrocarbon derivative 37 80.4 78.1 2.3
Organonitrogen compound 37 80.4 60.8 19.7
Azacycle 36 78.3 46.4 31.9
Organic oxygen compound 33 71.7 69.8 2.0
Organopnictogen compound 33 71.7 46.6 25.2
Organooxygen compound 32 69.6 68.4 1.2
Heteroaromatic compound 32 69.6 36.8 32.8
Aromatic heteropolycyclic compound 31 67.4 40.3 27.1
Benzenoid 30 65.2 45.0 20.2
Indole 24 52.2 6.9 45.3
Organic oxide 23 50 62.0 12.0
Alkyl aryl ether 23 50 24.7 25.3
Ether 23 50 30.9 19.1
3-alkylindole 22 47.8 4.9 42.9
Pyrrole 22 47.8 7.6 40.2
Anisole 22 47.8 13.4 34.4
Organoheterocyclic compound 19 41.3 38.0 3.3
Indole or derivatives 18 39.1 5.0 34.1
Carbonyl group 18 39.1 41.3 2.2
Carboxylic acid derivative 18 39.1 35.2 3.9
Amine 17 37.0 25.0 11.9
Aralkylamine 16 34.8 10.5 24.3
Tertiary amine 14 30.4 14.6 15.9
Tertiary aliphatic amine 14 30.4 13.7 16.7
Beta-carboline 13 28.3 2.4 25.9
Pyridoindole 13 28.3 2.0 26.3
Organic 1,3-dipolar compound 11 23.9 9.9 14.0
Propargyl-type 1,3-dipolar organic compound 11 23.9 9.9 14.0
Monocyclic benzene moiety 11 23.9 26.6 2.7
Corynanthean skeleton 10 21.7 0.4 21.4
Piperidine 10 21.7 9.4 12.4
Substituted pyrrole 9 19.6 3.9 15.7
Amino acid or derivatives 9 19.6 10.7 8.9
Dialkyl ether 9 19.6 7.7 11.9
Benzoyl 9 19.6 7.2 12.3
Benzoic acid or derivatives 9 19.6 3.3 16.3
Phenol ether 8 17.4 13.0 4.4
Carboxylic acid ester 8 17.4 13.9 3.5
Oxacycle 7 15.2 27.5 12.3
Monocarboxylic acid or derivatives 7 15.2 19.7 4.4
Yohimbine alkaloid 7 15.2 0.3 14.9
Methyl ester 7 15.2 2.3 12.9
Imine 7 15.2 1.6 13.6
Carboxylic acid 6 13.0 13.3 0.2
Aromatic heteromonocyclic compound 6 13.0 14.3 1.2
Yohimbine 6 13.0 0.2 12.8
Dicarboxylic acid or derivatives 6 13.0 4.2 8.9
Aryl chloride 6 13.0 7.2 5.9
Organohalogen compound 6 13.0 14.1 1.0
Organochloride 6 13.0 8.7 4.4
Aryl halide 6 13.0 10.8 2.3
Carboxamide group 5 10.9 24.1 13.3
Alcohol 5 10.9 18.9 8.1
Imidazole 5 10.9 4.0 6.8
Organosulfur compound 5 10.9 7.6 3.3
Methoxybenzene 5 10.9 7.9 3.0
M-methoxybenzoic acid or derivatives 5 10.9 0.5 10.4
Gallic acid or derivatives 5 10.9 0.2 10.7
Phenoxy compound 5 10.9 11.4 0.5
Benzoate ester 5 10.9 1.5 9.4
Secondary carboxylic acid amide 4 8.7 15.3 6.6
Secondary alcohol 4 8.7 14.3 5.6
Cyclic alcohol 4 8.7 5.3 3.4
Guanidine 4 8.7 0.9 7.8
Dialkylthioether 4 8.7 1.9 6.8
Sulfenyl compound 4 8.7 2.7 6.0
Carboximidamide 4 8.7 2.0 6.7
Thioether 4 8.7 3.2 5.5
P-methoxybenzoic acid or derivatives 4 8.7 0.4 8.3
Halobenzene 4 8.7 6.1 2.6
Benzoylindole 4 8.7 0.2 8.5
Chlorobenzene 4 8.7 4.2 4.5
4-halobenzoic acid or derivatives 4 8.7 0.4 8.3
Indole-3-acetic acid derivative 4 8.7 0.1 8.6
Halobenzoic acid or derivatives 4 8.7 0.6 8.1
Indolecarboxylic acid derivative 4 8.7 0.5 8.2
Benzopyran 3 6.5 10.7 4.2
Coumarin 3 6.5 5.6 1.0
Pyranone 3 6.5 10.1 3.6
Pyran 3 6.5 10.7 4.2
1-benzopyran 3 6.5 10.7 4.2
Lactone 3 6.5 12.7 6.2
Vinylogous amide 3 6.5 4.9 1.7
Pyridine 3 6.5 8.5 2.0
Harman 3 6.5 0.6 5.9
Ketimine 3 6.5 0.7 5.8
Imidolactam 3 6.5 3.8 2.7
Azole 3 6.5 8.1 1.6
N-alkylpiperazine 3 6.5 3.1 3.4
Indolyl carboxylic acid derivative 3 6.5 0.6 5.9
Amino acid 2 4.3 2.9 1.4
Primary alcohol 2 4.3 5.5 1.1
Tryptamine 2 4.3 0.3 4.1
Primary amine 2 4.3 6.3 2.0
Alkaloid or derivatives 2 4.3 1.1 3.2
1-hydroxy-2-unsubstituted benzenoid 2 4.3 8.9 4.5
Dihydroquinoline 2 4.3 1.2 3.2
Dihydroquinolone 2 4.3 1.1 3.2
Harmaline 2 4.3 0.1 4.3
N-arylpiperazine 2 4.3 1.6 2.8
1,2-benzothiazole 2 4.3 0.1 4.3
Phenethylamine 2 4.3 0.5 3.8
1,2-thiazolamine 2 4.3 0.1 4.3
Thiazole 2 4.3 1.7 2.6
Dialkylarylamine 2 4.3 3.4 0.9
Cyclic carboximidic acid 2 4.3 1.8 2.6
Tetrahydroisoquinoline 2 4.3 1.5 2.9
Lactam 2 4.3 10.3 6.0
Ajmalicine-skeleton 1 2.2 0.1 2.1
Alpha,beta-unsaturated carboxylic ester 1 2.2 2.9 0.7
Vinylogous ester 1 2.2 1.7 0.5
Enoate ester 1 2.2 2.9 0.7
18-oxayohimban 1 2.2 0.1 2.1
2-arylethylamine 1 2.2 0.1 2.1
Primary aliphatic amine 1 2.2 2.8 0.7
Carbonic acid diester 1 2.2 0.3 1.9
Carbonic acid derivative 1 2.2 2.6 0.4
Dimethoxybenzene 1 2.2 1.7 0.5
M-dimethoxybenzene 1 2.2 0.6 1.6
Vinylogous acid 1 2.2 5.4 3.2
1-hydroxy-4-unsubstituted benzenoid 1 2.2 5.3 3.1
Chromone 1 2.2 3.1 0.9
Ketone 1 2.2 11.9 9.7
Aryl alkyl ketone 1 2.2 3.2 1.0
Aryl ketone 1 2.2 4.6 2.4
Toluene 1 2.2 2.3 0.2
2,2-dimethyl-1-benzopyran 1 2.2 1.5 0.6
Aldehyde 1 2.2 1.1 1.1
Tetrahydroquinoline 1 2.2 0.5 1.7
C-nitro compound 1 2.2 1.3 0.9
Organic oxoazanium 1 2.2 1.3 0.9
Secondary aliphatic/aromatic amine 1 2.2 1.4 0.8
Secondary aliphatic amine 1 2.2 4.4 2.2
Organic nitro compound 1 2.2 1.4 0.8
Organic zwitterion 1 2.2 1.1 1.0
Nitroquinoline 1 2.2 0.0 2.1
Allyl-type 1,3-dipolar organic compound 1 2.2 1.4 0.8
Aromatic alcohol 1 2.2 1.9 0.3
Nitroaromatic compound 1 2.2 1.1 1.1
Secondary amine 1 2.2 5.3 3.1
Oxyneolignan skeleton 1 2.2 0.1 2.1
Diaryl ether 1 2.2 0.8 1.4
Aminobenzenesulfonamide 1 2.2 0.6 1.6
Organosulfonic acid amide 1 2.2 2.6 0.4
Aminosulfonyl compound 1 2.2 3.1 0.9
Primary aromatic amine 1 2.2 3.3 1.1
Organosulfonic acid or derivatives 1 2.2 3.6 1.4
Aniline or substituted anilines 1 2.2 3.6 1.4
Sulfonyl 1 2.2 4.0 1.8
Organic sulfonic acid or derivatives 1 2.2 3.6 1.4
Benzenesulfonyl group 1 2.2 2.7 0.5
Pyrimidone 1 2.2 2.1 0.1
Pyrimidine 1 2.2 4.5 2.3
Urea 1 2.2 2.8 0.6
6-oxopurine 1 2.2 0.5 1.7
Purinone 1 2.2 0.4 1.7
Xanthine 1 2.2 0.4 1.8
Hydroxyindole 1 2.2 0.6 1.6
Harmalol 1 2.2 0.0 2.2
Alpha-amino acid or derivatives 1 2.2 9.6 7.4
Piperazine 1 2.2 2.9 0.7
1,4-diazinane 1 2.2 2.9 0.7
Tertiary carboxylic acid amide 1 2.2 12.0 9.8
Oxazoline 1 2.2 0.2 2.0

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
CCMSLIB00000079582.ms 421.1758 421.1758 "MLS001159967-01!2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide" M+H 1.000 0.415
CCMSLIB00000079650.ms 435.1914 435.1914 MLS001032412-01!N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide M+H 1.000 0.415
CCMSLIB00000006211.ms 332.0700 332.0700 Piroxicam M+H 0.949 0.072
CCMSLIB00000080023.ms 401.2071 401.2071 MLS000737091-01! M+H 0.946 0.444
CCMSLIB00000079866.ms 393.1445 393.1445 MLS001160043-01!N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide M+H 0.941 0.394
CCMSLIB00000078744.ms 383.1965 383.1965 NCGC00160192-01!RESERPININE M+H 0.937 0.406
CCMSLIB00000078248.ms 354.0519 354.0519 Piroxicam (Feldene) [M+Na] 0.933 0.121
CCMSLIB00000086142.ms 401.2071 401.2071 MLS002154083-01!Reserpinic acid hydrochloride83-60-3 M+H 0.923 0.406
CCMSLIB00000006011.ms 253.1230 253.1230 Cimetidine M+H 0.890 0.214
CCMSLIB00000006208.ms 332.0700 332.0700 Piroxicam M+H 0.875 0.072
CCMSLIB00000080306.ms 387.2278 387.2278 MLS000736869-01! M+H 0.869 0.416
CCMSLIB00000079806.ms 203.1179 203.1179 MLS002153360-01! M+H 0.862 0.471
CCMSLIB00000079430.ms 415.2227 415.2227 MLS002694431-01! M+H 0.735 0.418
CCMSLIB00000086151.ms 466.1642 466.1642 MLS002153801-01!Bacampicillin hydrochloride37661-08-8 M+H 0.733 0.034
CCMSLIB00000006008.ms 253.1230 253.1230 Cimetidine M+H 0.724 0.120
CCMSLIB00000077008.ms 253.1230 253.1230 Cimetidine [M+H] 0.630 0.127
CCMSLIB00000079068.ms 191.1179 191.1179 2-(5-methoxy-1H-indol-3-yl)ethanamine [M+H] 0.536 0.425
CCMSLIB00000085070.ms 219.1492 219.1492 MLS000069438-01!3-(2-DIMETHYLAMINOETHYL)-5-METHOXYINDOLE M+H 0.533 0.421
CCMSLIB00000577760.ms 636.2624 636.2624 Oxachelin_51754_dereplictor_pv_1.50221e-13 M+H 0.528 0.062
CCMSLIB00000078045.ms 233.1285 233.1285 Melatonin [M+H] 0.447 0.394
CCMSLIB00000084853.ms 233.1285 233.1285 MLS000859594-01!Melatonin73-31-4 M+H 0.356 0.423
CCMSLIB00000084975.ms 253.1230 253.1230 MLS002153265-01! M+H 0.351 0.193
CCMSLIB00000084857.ms 609.2807 609.2807 MLS002154046-01!50-55-5 M+H 0.303 0.371
CCMSLIB00000085373.ms 667.2861 667.2861 MLS002153876-01!Syrosingopine84-36-6 M+H 0.241 0.362
CCMSLIB00000079581.ms 370.1649 370.1649 "MLS001032231-01!2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide" M+H 0.169 0.010
CCMSLIB00000424802.ms 298.2165 298.2165 C11:db-UHQ aka 2-undecenyl-quinoloin-4(1H)-one position of double bond unknown M+H 0.156 0.128
CCMSLIB00000078194.ms 609.2807 609.2807 Reserpine [M+H] 0.146 0.252
CCMSLIB00000006376.ms 609.2807 609.2807 Reserpine M+H 0.123 0.242
CCMSLIB00000085979.ms 280.1656 280.1656 MLS000756891-01!Oxamniquine M+H 0.122 0.307
CCMSLIB00000084854.ms 215.1179 215.1179 MLS001148231-01!HARMALINE M+H 0.103 0.410
CCMSLIB00000006373.ms 609.2807 609.2807 Reserpine M+H 0.101 0.221
CCMSLIB00000579633.ms 413.1197 413.1197 Ziprasidone M+H 0.081 0.119
CCMSLIB00000479572.ms 810.1331 810.1331 Acetyl coenzyme A M+H 0.079 0.119
CCMSLIB00000085685.ms 623.3116 623.3116 MLS002153946-01!Tetrandrine M+H 0.074 0.221
CCMSLIB00000085166.ms 215.1179 215.1179 MLS002153914-01!Methoxy-6-harmalan3589-73-9 M+H 0.074 0.394
CCMSLIB00000078256.ms 358.0841 358.0841 "Indomethacin (Indocid, Indocin)" [M+H] 0.073 0.221
CCMSLIB00000078208.ms 250.0645 250.0645 Sulfapyridine (Dagenan) [M+H] 0.070 0.044
CCMSLIB00000579891.ms 358.0841 358.0841 2328_Indometacin M+H 0.058 0.221
CCMSLIB00000078527.ms 416.0895 416.0895 Acemetacin (Emflex) [M+H] 0.058 0.221
CCMSLIB00000424803.ms 300.2322 300.2322 UHQ (mixed MS2 C11:db:UHQ) M+H 0.058 0.119
CCMSLIB00000579726.ms 181.0720 181.0720 Theophylline M+H 0.057 0.017
CCMSLIB00000079180.ms 358.0841 358.0841 Indomethacin [M+H] 0.056 0.221
CCMSLIB00000085817.ms 201.1022 201.1022 MLS002153909-01!Harmalol hydrochloride dihydrate6028-00-8 M+H 0.055 0.164
CCMSLIB00000006238.ms 413.1197 413.1197 ZiprasidoneHCl M+H 0.053 0.119
CCMSLIB00000077003.ms 313.1911 313.1911 55268-74-1 [M+H] 0.053 0.221
CCMSLIB00000418014.ms 273.1598 273.1598 1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene M+H 0.052 0.168

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: