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23,345 molecules found

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• methyl 3-oxo-5-propylsulfanylpentanoate Molecule

  InChIKey	JFBJRVFKIJIGDL-UHFFFAOYSA-N
  Molecular Formula	C9H16O3S

  

  
  

  Related Dataset(s)

  • METHYL 3-OXO-5-PROPYLTHIOPENTANOATE; EI-B; MS

• methyl 3-oxobutanoate Molecule

  InChIKey	WRQNANDWMGAFTP-UHFFFAOYSA-N
  Molecular Formula	C5H8O3

  

  
  

  Related Dataset(s)

  • METHYL ACETOACETATE; EI-B; MS
  • METHYL ACETO ACETATE; EI-B; MS
  • ACETOACETIC ACID METHYL ESTER; CI-B; MS
  • METHYL ACETOACETATE; EI-B; MS
  • METHYL ACETOACETATE; EI-B; MS

• methyl 3-oxohexadecanoate Molecule

  InChIKey	OEEDRMFBAHHVQI-UHFFFAOYSA-N
  Molecular Formula	C17H32O3

  

  
  

  Related Dataset(s)

  • METHYL 3-OXOHEXADECANOATE; EI-B; MS

• methyl 3-phenyl-2-[[2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetyl... Molecule

  InChIKey	TWMFZPLYRDRENG-UHFFFAOYSA-N
  Molecular Formula	C28H25F3N2O3

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• methyl 3-phenylprop-2-enoate Molecule

  InChIKey	CCRCUPLGCSFEDV-UHFFFAOYSA-N
  Molecular Formula	C10H10O2

  

  
  

  Related Dataset(s)

  • methylcinnamate; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
  • methylcinnamate; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
  • Methyl cinnamate; LC-ESI-QTOF; MS2
  • methylcinnamate; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
  • methylcinnamate; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+

• methyl 3-phenylprop-2-ynoate Molecule

  InChIKey	JFGWPXKGINUNDH-UHFFFAOYSA-N
  Molecular Formula	C10H8O2

  

  
  

  Related Dataset(s)

  • PHENYLPROPIOLIC ACID METHYL ESTER; EI-B; MS

• methyl 3-phenylpropanoate Molecule

  InChIKey	RPUSRLKKXPQSGP-UHFFFAOYSA-N
  Molecular Formula	C10H12O2

  

  
  

  Related Dataset(s)

  • 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS
  • METHYL 3-PHENYLPROPIONATE; EI-B; MS
  • METHYL 3-PHENYLPROPIONATE; EI-B; MS
  • 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS
  • 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS

• methyl 3-pyrazol-1-ylbenzoate Molecule

  InChIKey	FNFWFAVDUMMRJN-UHFFFAOYSA-N
  Molecular Formula	C11H10N2O2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• methyl 3-sulfamoylthiophene-2-carboxylate Molecule

  InChIKey	PMXNPOJHBQDJKS-UHFFFAOYSA-N
  Molecular Formula	C6H7NO4S2

  

  
  

  Related Dataset(s)

  • Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 10; [M-H]-
  • Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 40; [M-H]-
  • Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 20; [M-H]-

• methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,... Molecule

  InChIKey	KMZYINVXZDQCKC-UHFFFAOYSA-N
  Molecular Formula	C18H16O7

  

  
  

  Related Dataset(s)

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

• methyl 4,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate Molecule

  InChIKey	OCMNRGUEENYBHL-UHFFFAOYSA-N
  Molecular Formula	C18H17NO2

  

  
  

  Related Dataset(s)

  • METHYL 2,3-DIPHENYL-1-PYRROLINE-4-CARBOXYLATE; EI-B; MS

• methyl 4,6,6-trimethyl-2-oxocyclohex-3-ene-1-carboxylate Molecule

  InChIKey	DVRUDYWXVMIYKQ-UHFFFAOYSA-N
  Molecular Formula	C11H16O3

  

  
  

  Related Dataset(s)

  • 3,5,5-TRIMETHYL-6-METHOXYCARBONYL-2-CYCLOHEXENONE; EI-B; MS

• methyl 4,8,9-trihydroxy-6-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbony... Molecule

  InChIKey	FCBFXINPLHGRFE-UHFFFAOYSA-N
  Molecular Formula	C32H30O14

  

  
  

  Related Dataset(s)

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

• methyl 4-(1,3-dithiolan-2-ylidene)hexanoate Molecule

  InChIKey	WEWHOQGGMKXBGI-UHFFFAOYSA-N
  Molecular Formula	C10H16O2S2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

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

  InChIKey	FEZUXVAXRREZEP-UHFFFAOYSA-N
  Molecular Formula	C18H13N5O2

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • infrared absorption spectroscopy (IR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• methyl 4-(1H-indol-2-yl)butanoate Molecule

  InChIKey	GHQNBSPRKLUEKB-UHFFFAOYSA-N
  Molecular Formula	C13H15NO2

  

  
  

  Related Dataset(s)

  • 4-(2-INDOLYL)BUTYLIC ACID METHYL ESTER; EI-B; MS

• methyl 4-(1H-indol-3-yl)butanoate Molecule

  InChIKey	ZEJUFCOACOWDPP-UHFFFAOYSA-N
  Molecular Formula	C13H15NO2

  

  
  

  Related Dataset(s)

  • 3-INDOLEBUTYRIC ACID METHYL ESTER; EI-B; MS
  • 4-(3-INDOLYL)BUTYLIC ACID METHYL ESTER; EI-B; MS

• methyl 4-(2-acetylphenoxy)benzoate Molecule

  InChIKey	TVABVIHVJVNOHK-UHFFFAOYSA-N
  Molecular Formula	C16H14O4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • electron ionisation mass spectrometry (EI-MS)
  • thin-layer chromatography (TLC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• methyl 4-(2-methoxy-4-methylphenoxy)benzoate Molecule

  InChIKey	MFKBBLHMVNUYBZ-UHFFFAOYSA-N
  Molecular Formula	C16H16O4

  

  
  

  Related Dataset(s)

  • electron ionisation mass spectrometry (EI-MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • thin-layer chromatography (TLC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tet... Molecule

  InChIKey	ZHUOOEGSSFNTNP-UHFFFAOYSA-N
  Molecular Formula	C25H42O4

  

  
  

  Related Dataset(s)

  • Deoxycholic acid methyl ester; LC-APCI-QTOF; MS; NEGATIVE
  • Deoxycholic acid methyl ester; LC-ESI-QTOF; MS; POSITIVE
  • Deoxycholic acid methyl ester; LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
  • Deoxycholic acid methyl ester; LC-ESI-QTOF; MS; NEGATIVE

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