Advanced search

Order by Relevance Name Ascending Name Descending Last Modified Popular Go

23,340 molecules found

Filter Results

• (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,... Molecule

  InChIKey	KBDSLGBFQAGHBE-MSGMIQHVSA-N
  Molecular Formula	C26H30O8

  

  
  

  Related Dataset(s)

  • Limonin; LC-ESI-ITTOF; MS; [M-H]-

• (1R,2R,7S,9R,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010... Molecule

  InChIKey	YUKCLPPRYNXRAF-RFVXBFLTSA-N
  Molecular Formula	C20H35N3

  

  
  

  Related Dataset(s)

  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2
  • Ormosanine; LC-ESI-QTOF; MS2

• (1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4... Molecule

  InChIKey	XVULBTBTFGYVRC-FFADBYAMSA-N
  Molecular Formula	C20H36O2

  

  
  

  Related Dataset(s)

  • 13-Episclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
  • 13-Episclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
  • 13-Episclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
  • 13-Episclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+

• (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7... Molecule

  InChIKey	ZAZVCYBIABTSJR-BUMOLROVSA-N

  

  
  

  Related Dataset(s)

  • cis-abienol[2]
  • cis-abienol[1]

• (1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]hepta... Molecule

  InChIKey	XVPBINOPNYFXID-JARXUMMXSA-N
  Molecular Formula	C15H24N2O2

  

  
  

  Related Dataset(s)

  • Oxymatrine; LC-ESI-ITTOF; MS; [M+H]+

• (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca... Molecule

  InChIKey	XVPBINOPNYFXID-LHDUFFHYSA-N
  Molecular Formula	C15H24N2O2

  

  
  

  Related Dataset(s)

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

• (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one Molecule

  InChIKey	AAGFPTSOPGCENQ-JLNYLFASSA-N
  Molecular Formula	C15H22N2O

  

  
  

  Related Dataset(s)

  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Sophocarpine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

• (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one Molecule

  InChIKey	ZSBXGIUJOOQZMP-JLNYLFASSA-N
  Molecular Formula	C15H24N2O

  

  
  

  Related Dataset(s)

  • Matrine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Matrine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Matrine; LC-ESI-QTOF; MS2
  • Matrine; LC-ESI-QTOF; MS2

• (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol Molecule

  InChIKey	KWGRBVOPPLSCSI-WPRPVWTQSA-N
  Molecular Formula	C10H15NO

  

  
  

  Related Dataset(s)

  • Ephedrine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-Q; MS; POS; 75 V, 90 V
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-Q; MS; POS; 45 V
  • Ephedrine; LC-ESI-Q; MS; POS; 30 V
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-Q; MS; POS; 15 V
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Ephedrine; LC-ESI-Q; MS; POS; 60 V
  • Ephedrine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+

• (1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(7aR)-4,4,7a-trimethyl-2,5,6,7-te... Molecule

  InChIKey	ZORQKKBTVVCHRR-FOTQGIOVSA-N
  Molecular Formula	C40H58O3

  

  
  

  Related Dataset(s)

  • Ipomoeaxanthin C; FAB-EBEB; MS2; m/z: 586.44; [M]+*

• (1R,2S)-cyclohexane-1,2-diol Molecule

  InChIKey	PFURGBBHAOXLIO-OLQVQODUSA-N
  Molecular Formula	C6H12O2

  

  
  

  Related Dataset(s)

  • CIS-1,2-CYCLOHEXANEDIOL; EI-B; MS

• (1R,2S,13R,17S)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.0... Molecule

  InChIKey	QFDPVUTXKUGISP-NVWQCAADSA-N
  Molecular Formula	C30H22O10

  

  
  

  Related Dataset(s)

  • Rugulosin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Rugulosin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Rugulosin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Rugulosin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Rugulosin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

• (1R,2S,3R)-3-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-dimethylcyclopentan-... Molecule

  InChIKey	ZBJPVPFEDGYYBD-GBJTYRQASA-N

  

  
  

  Related Dataset(s)

  • Cyclonerodiol[1]
  • Cyclonerodiol[2]

• (1R,2S,3R)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimet... Molecule

  InChIKey	CTTSYRDQSMAGNT-SZWZKDINSA-N

  

  
  

  Related Dataset(s)

  • Epicyclonerodiol Oxide[2]
  • Epicyclonerodiol Oxide.1d

• (1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol Molecule

  InChIKey	TWNIBLMWSKIRAT-VFUOTHLCSA-N
  Molecular Formula	C6H10O5

  

  
  

  Related Dataset(s)

  • 1,6-Anhydro-beta-D-glucose; GC-EI-TOF; MS; n TMS; RT:645.412 sec
  • 1,6-Anhydro-beta-D-Glucose; EI-B; MS; 3 TMS; RT: 694.88 s
  • 1,6-Anhydro-beta-D-glucose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
  • 1,6-Anhydro-beta-D-glucose; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-

• (1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,... Molecule

  InChIKey	QQRSSHFHXYSOMF-CXXOJBQZSA-N
  Molecular Formula	C20H26O5

  

  
  

  Related Dataset(s)

  • Gibberellin A24; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]-
  • Gibberellin A24; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-
  • Gibberellin A24; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]-

• (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13... Molecule

  InChIKey	DFBKLUNHFCTMDC-PICURKEMSA-N
  Molecular Formula	C12H8Cl6O

  

  
  

  Related Dataset(s)

  • Dieldrin; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
  • Dieldrin; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
  • Dieldrin; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
  • Dieldrin; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+

• (1R,2S,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,4,4a,5,6,7,8,8a... Molecule

  InChIKey	LRDUEXWYKQITLS-MBVYDAKFSA-N
  Molecular Formula	C15H28O2

  

  
  

  Related Dataset(s)

  • 2BETA-HYDROXY-1BETA,(4A)BETA-DIMETHYL-7BETA-(1-METHYL-1-HYDROXYETHYL)-(8A)BETA-DECAHYDRONAPHTHALENE; EI-B; MS

• (1R,2S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-tr... Molecule

  InChIKey	FJRIGPREPNIRNO-VQFXDPJJSA-N
  Molecular Formula	C40H58O4

  

  
  

  Related Dataset(s)

  • 5,6-Dihydroxylutein; FAB-EBEB; MS2; m/z: 602.43; [M]+*

• (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxape... Molecule

  InChIKey	XYNPYHXGMWJBLV-VXPJTDKGSA-N
  Molecular Formula	C27H45NO2

  

  
  

  Related Dataset(s)

  • Tomatidine; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Tomatidine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+

You can also access this registry using the API (see API Docs).