-
(17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule
InChIKey VZZVDHGDRPQCMC-UHFFFAOYSA-N
Related Dataset(s)
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
-
(17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule
InChIKey QUFXCTFKQBQMQC-UHFFFAOYSA-N
Related Dataset(s)
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
-
(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8... Molecule
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Related Dataset(s)
-
(1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol Molecule
InChIKey DSCFFEYYQKSRSV-FEPQRWDDSA-N
Related Dataset(s)
-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KXUCPTDWSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentameth... Molecule
InChIKey QGJZLNKBHJESQX-FZFNOLFKSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Betulic acid.cosy
- Classics_BetulinicAcid[6]
- Classics_BetulinicAcid.hsqc_tocsy
- Classics_BetulinicAcid.noesy
- Betulic acid.aptjmod
- Classics_BetulinicAcid.c13
- Classics_BetulinicAcid[1]
- Betulic acid.noesy
- Betulic acid.hmbc
- Classics_BetulinicAcid[8]
- Classics_BetulinicAcid.apt
- Classics_BetulinicAcid[4]
- Betulic acid.proton
-
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydroph... Molecule
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N Molecular Formula C20H30O2
Related Dataset(s)
- Classics_Abietic.hsqc
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Classics_Abietic.apt
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid.proton
- Classics_Abietic[3]
- Classics_Abietic[4]
- Abietic acid.apt
- Abietic acid.hsqc
- Classics_Abietic[6]
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- ABIETIC ACID; EI-B; MS
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Classics_Abietic[1]
- Abietic acid.noesy
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Abietic acid.hmbc
- Abietic acid.cosy
-
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyc... Molecule
InChIKey JFVKWCYZKMUTLH-AYPBNUJASA-N
Related Dataset(s)
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[14]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[12]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.1d
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hsqc
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[99999]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[13]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hmbc
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.noesy
-
(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]ico... Molecule
InChIKey DQXBSJMCLQLJKV-DLBZAZTESA-N
Related Dataset(s)
-
(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9... Molecule
InChIKey HUKSJTUUSUGIDC-BDJLRTHQSA-N
Related Dataset(s)
-
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-MRTMQBJTSA-N Molecular Formula C10H16O
Related Dataset(s)
-
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N Molecular Formula C10H16O
Related Dataset(s)
- Classics_b-Thujon[4]
- -Thujone.apt
- -Thujone.apt
- Classics_b-Thujon.proton
- Classics_b-Thujon[5]
- -Thujone.hsqc
- Classics_b-Thujon[2]
- -Thujone.hmbc
- -Thujone.cosy
- Classics_b-Thujon[6]
- -Thujone.proton
- -Thujone.proton
- -Thujone.hsqc
- -Thujone.noesy
- -Thujone.hmbc
- Classics_b-Thujon[3]
- -Thujone.noesy
- -Thujone.cosy
-
(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.0... Molecule
InChIKey JUVIOZPCNVVQFO-HBGVWJBISA-N Molecular Formula C23H22O6
Related Dataset(s)
- YAC_4B (Compound 14) Rotenone.hsqc
- Rotenone; LC-ESI-QTOF; MS; POSITIVE
- Rotenone; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone.hmbc
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; NEGATIVE
- YAC_4B (Compound 14) Rotenone[99999]
- Rotenone; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- YAC_4B (Compound 14) Rotenone.cosy
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; POSITIVE
- YAC_4B (Compound 14) Rotenone[14]
- Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[11]
- Rotenone; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Rotenone; LC-ESI-QQQ; MS; [M+H]+
- YAC_4B (Compound 14) Rotenone.c13
- Rotenone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_4B (Compound 14) Rotenone[15]
- Rotenone; LC-ESI-QTOF; MS; NEGATIVE
- Rotenone; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
-
(1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-BDAKNGLRSA-N
Related Dataset(s)
-
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5... Molecule
InChIKey XUCIJNAGGSZNQT-JHSLDZJXSA-N Molecular Formula C20H27NO11
Related Dataset(s)
- Classics_Amygdalin[5]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[4]
- Classics_Amygdalin.selective_tocsy
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[8]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[6]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-ITTOF; MS; [M+NH3+H]+
- Classics_Amygdalin.c13
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[3]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[1]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
-
(2S)-2-(dimethylamino)-N-[(2S,3S,4R)-5-[(5S)-3,3-dimethyl-2,4-dioxo-5-propan-... Molecule
InChIKey ANARGESUVAEGNN-QTVXIADOSA-N
Related Dataset(s)
-
(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one Molecule
InChIKey DAWSYIQAGQMLFS-SFHVURJKSA-N
Related Dataset(s)
- YAC_1K (Compound 8) Glabranin[99999]
- YAC_1K (Compound 8) Glabranin[15]
- YAC_1K (Compound 8) Glabranin[16]
- YAC_1K (Compound 8) Glabranin.1d
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[17]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[13]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.c13
- YAC_1K (Compound 8) Glabranin[14]
-
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2H-chromene Molecule
InChIKey GTWNOIJIMUFLGQ-IBGZPJMESA-N Molecular Formula C22H24O3
Related Dataset(s)
-
(2S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KYHHOPLUSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate Molecule
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N Molecular Formula C15H21N3O2
Related Dataset(s)
- Eserine[12]
- Eserine.dept
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[53]
- Eserine.dept
- Eserine[55]
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine[51]
- Eserine.hsqc
- Eserine[59]
- Eserine[56]
- Eserine.1d
- Eserine.cosy
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine[54]
- Eserine[11]
- Eserine[57]
- Eserine.1d
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine[1057]
