-
(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)
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- ABIETIC ACID; EI-B; MS
- Classics_Abietic.hsqc
- Abietic acid.noesy
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid.proton
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Classics_Abietic[3]
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid.hsqc
- Abietic acid.hmbc
- Classics_Abietic[6]
- Classics_Abietic[1]
- Abietic acid.apt
- Classics_Abietic[4]
- Abietic acid.cosy
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Classics_Abietic[2]
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
-
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]hept... Molecule
InChIKey ASUTZQLVASHGKV-JDFRZJQESA-N Molecular Formula C17H21NO3
Related Dataset(s)
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.apt
- Galantamine.noesy
- Galantamine.proton
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galantamine.hmbc
- Galantamine.cosy
-
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypr... Molecule
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N Molecular Formula C18H16O8
Related Dataset(s)
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- rosmarinic acid.aptjmod
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
- rosmarinic acid.hmbc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
- Rosmarinic acid; LC-ESI-QQ; MS2
- rosmarinic acid.hsqc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
- rosmarinic acid.noesy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
- rosmarinic acid.cosy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine[1]
- Quinine.cosy
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine[3]
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.hsqc
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[6]
- Quinine.proton
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine.noesy
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine.hmbc
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinine[4]
- Quinine[5]
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine[2]
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine.aptjmod
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
3-(1-methylpyrrolidin-2-yl)pyridine Molecule
InChIKey SNICXCGAKADSCV-UHFFFAOYSA-N Molecular Formula C10H14N2
Related Dataset(s)
- Nicotine.apt
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; EI-B; MS
- Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
- Nicotine.hsqc
- Nicotine.hsqc
- Nicotine.c13
- Nicotine.c13
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; CI-B; MS
- Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [M+H]+
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QTOF; MS2
- Nicotine (not validated); LC-ESI-QTOF; MS2
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.noesy
- Nicotine.cosy
- Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [M+H]+
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.hmbc
-
9-methyl-9-azabicyclo[3.3.1]nonan-3-one Molecule
InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Molecular Formula C9H15NO
Related Dataset(s)
- Pseudopelletierin.aptjmod
- Pseudopelletierin.noesy
- Pseudopelletierin.cosy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierin.1d
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
-
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acet... Molecule
InChIKey IAKHMKGGTNLKSZ-INIZCTEOSA-N Molecular Formula C22H25NO6
Related Dataset(s)
- Colchicin.hsqc
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicin.1d
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicin.cosy
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicin.noesy
-
methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Molecule
InChIKey ZPUCINDJVBIVPJ-UHFFFAOYSA-N Molecular Formula C17H21NO4
Related Dataset(s)
- Cocaine; LC-ESI-QTOF; MS2; 130 V
- Cocaine; LC-ESI-QTOF; MS2; 10 V
- Cocaine[3]
- 50-36-2.hsqc
- Cocaine.hmbc
- 50-36-2[13c-apt.dx]
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine[4]
- Cocaine; LC-ESI-QTOF; MS2; 70 V
- 50-36-2.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 90 V
- Cocaine[1]
- Cocaine[6]
- Cocaine.noesy
- Cocaine; LC-ESI-QTOF; MS2; 140 V
- Cocaine.aptjmod
- Cocaine; LC-ESI-QTOF; MS2; 80 V
- 50-36-2.cosy
- Cocaine[2]
- Cocaine; LC-ESI-QTOF; MS2; 150 V
- 50-36-2.proton
- Cocaine; LC-ESI-QTOF; MS2; 100 V
- Cocaine; LC-ESI-QTOF; MS2; 60 V
- Cocaine; LC-ESI-QTOF; MS2; 50 V
- 50-36-2.noesy
- 50-36-2[1h.dx]
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine; LC-ESI-QTOF; MS2; 20 V
- Cocaine.cosy
- Cocaine; LC-ESI-QTOF; MS2; 110 V
- Cocaine; LC-ESI-QTOF; MS2; 120 V
- Cocaine; LC-ESI-QTOF; MS2; 30 V
- Cocaine.hsqc
- 50-36-2[13c-apt.fid.dx]
- Cocaine.1d
- Cocaine[5]
