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25,361 molecules found

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• (1-methyl-5-nitroimidazol-2-yl)methyl carbamate Molecule

  InChIKey	PQFRTXSWDXZRRS-UHFFFAOYSA-N
  Molecular Formula	C6H8N4O4

  

  
  

  Related Dataset(s)

  • Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.1 eV; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+

• (1-methylindol-2-yl)-phenylmethanone Molecule

  InChIKey	NMPRIZDUHXAJTF-UHFFFAOYSA-N
  Molecular Formula	C16H13NO

  

  
  

  Related Dataset(s)

  • 2-BENZOYL-1-METHYLINDOLE; EI-B; MS

• (1-methylindol-3-yl)-phenylmethanone Molecule

  InChIKey	STRIBORQTQQOGQ-UHFFFAOYSA-N
  Molecular Formula	C16H13NO

  

  
  

  Related Dataset(s)

  • 3-BENZOYL-1-METHYLINDOLE; EI-B; MS

• (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate Molecule

  InChIKey	RVOLLAQWKVFTGE-UHFFFAOYSA-N
  Molecular Formula	[C9H13N2O2]+

  

  
  

  Related Dataset(s)

  • Pyridostigmine; LC-ESI-QFT; MS2; Ramp 20%-70% (nominal); 30000; [M]+

• (1-octylindol-3-yl)-phenylmethanone Molecule

  InChIKey	IIBBKOJOJPNZAF-UHFFFAOYSA-N
  Molecular Formula	C23H27NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-pentylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone Molecule

  InChIKey	FARAZPVIFYGKMX-UHFFFAOYSA-N
  Molecular Formula	C21H20F3NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-pentylindol-3-yl)-phenylmethanone Molecule

  InChIKey	IBURWEBQGDMTKZ-UHFFFAOYSA-N
  Molecular Formula	C20H21NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-quinoxalin-2-yltriazol-4-yl)methanol Molecule

  InChIKey	YEBFONFGCJEMAG-UHFFFAOYSA-N
  Molecular Formula	C11H9N5O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)

• (1-quinoxalin-2-yltriazol-4-yl)methyl acetate Molecule

  InChIKey	DGJCBVVQEVQILV-UHFFFAOYSA-N
  Molecular Formula	C13H11N5O2

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • mass spectrometry (MS)
  • infrared absorption spectroscopy (IR)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)

• (1-quinoxalin-2-yltriazol-4-yl)methyl prop-2-enoate Molecule

  InChIKey	XJHPHMLSCVFADT-UHFFFAOYSA-N
  Molecular Formula	C14H11N5O2

  

  
  

  Related Dataset(s)

  • distortionless enhancement with polarization transfer (DEPT)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)

• (10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'... Molecule

  InChIKey	IRXDUBNENLKYTC-UHFFFAOYSA-N
  Molecular Formula	C17H24O6

  

  
  

  Related Dataset(s)

  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
  • 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+

• (10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p... Molecule

  InChIKey	CZWCKYRVOZZJNM-UHFFFAOYSA-N
  Molecular Formula	C19H28O5S

  

  
  

  Related Dataset(s)

  • Dehydroisoandrosterone-3-sulfate; GC-EI-TOF; MS; n TMS; RT:922.099 sec

• 7,8-Dihydroxy calonectrin; 7,8-Dihydroxycalonectrin; 7alpha,8alpha-Dihydroxyc... Molecule

  InChIKey	JSKXQQKSUOVSKS-UHFFFAOYSA-N
  Molecular Formula	C19H26O8

  

  
  

  Related Dataset(s)

  • 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
  • 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
  • 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
  • 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+
  • 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+

• (10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-met... Molecule

  InChIKey	ALKTVPFKDYZFGA-UHFFFAOYSA-N
  Molecular Formula	C21H24O7

  

  
  

  Related Dataset(s)

  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS; [M+H]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+

• (10-methylanthracen-9-yl)methyl 2,2-dimethylpropanoate Molecule

  InChIKey	DJMFMJYBGUQQCQ-UHFFFAOYSA-N
  Molecular Formula	C21H22O2

  

  
  

  Related Dataset(s)

  • (10-METHYL-9-ANTHRYL)METHYL PIVALATE; EI-B; MS

• (10E,12E)-9-oxooctadeca-10,12-dienoic acid Molecule

  InChIKey	LUZSWWYKKLTDHU-SIGMCMEVSA-N
  Molecular Formula	C18H30O3

  

  
  

  Related Dataset(s)

  • 9-KODE; LC-ESI-QIT; MS2; CE:35 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:30 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:10 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:50 V; [M-H]-
  • 9-KODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-

• (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid Molecule

  InChIKey	NPDSHTNEKLQQIJ-ZJHFMPGASA-N
  Molecular Formula	C18H32O3

  

  
  

  Related Dataset(s)

  • 9-HODE; LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:10 V; [M-H]-
  • 9-HODE; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:30 V; [M-H]-
  • 9-HODE; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
  • 9-HODE; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-
  • 9-HODE; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:35 V; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
  • 9-HODE; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
  • 9-HODE; LC-ESI-QIT; MS2; CE:50 V; [M-H]-

• (10E,12Z)-octadeca-10,12-dienoic acid Molecule

  InChIKey	GKJZMAHZJGSBKD-NMMTYZSQSA-N
  Molecular Formula	C18H32O2

  

  
  

  Related Dataset(s)

  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

• (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid Molecule

  InChIKey	RIGGEAZDTKMXSI-CUHSZNQNSA-N
  Molecular Formula	C18H30O3

  

  
  

  Related Dataset(s)

  • 9-HOTrE; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
  • 9-HOTrE; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
  • 9-HOTrE; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
  • 9-HOTrE; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
  • 9-HOTrE; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
  • 9-HOTrE; LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-

• (10R,11R,13R,14S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-tri... Molecule

  InChIKey	WSBAGDDNVWTLOM-ULTQMYNUSA-N
  Molecular Formula	C27H44O8

  

  
  

  Related Dataset(s)

  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HOO]-
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HOO]-
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HOO]-
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HOO]-
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

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