-
(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[3]
- Quinine[2]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.hmbc
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine.proton
- Quinine[1]
- Quinine.hsqc
- Quinine.aptjmod
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine[5]
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine.noesy
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[6]
- Quinine.cosy
- Quinine[4]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane Molecule
InChIKey WEEGYLXZBRQIMU-UHFFFAOYSA-N Molecular Formula C10H18O
Related Dataset(s)
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol.noesy
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eucalyptol[6]
- Eucalyptol.aptjmod
- Eucalyptol.hmbc
- Eucalyptol 400 MHz in CDCl3 NMR data .
- Eucalyptol.cosy
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol.hsqc
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- Eucalyptol.1d
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one Molecule
InChIKey LKMNXYDUQXAUCZ-UHFFFAOYSA-N Molecular Formula C20H20O7
Related Dataset(s)
-
2-methyl-2,3-dihydropyran-6-one Molecule
InChIKey DYNKRGCMLGUEMN-UHFFFAOYSA-N Molecular Formula C6H8O2
Related Dataset(s)
-
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione Molecule
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
-
3-(1-methylpyrrolidin-2-yl)pyridine Molecule
InChIKey SNICXCGAKADSCV-UHFFFAOYSA-N Molecular Formula C10H14N2
Related Dataset(s)
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; EI-B; MS
- Nicotine.c13
- Nicotine.noesy
- Nicotine.apt
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.cosy
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.c13
- Nicotine.hsqc
- Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
- Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [M+H]+
- Nicotine.hsqc
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; CI-B; MS
- Nicotine.hmbc
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [M+H]+
- Nicotine (not validated); LC-ESI-QTOF; MS2
- 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QTOF; MS2
-
6-propyl-2,3,4,5-tetrahydropyridine Molecule
InChIKey PQSOVRNZJIENNW-UHFFFAOYSA-N Molecular Formula C8H15N
Related Dataset(s)
-
7-ethyl-1,4-dimethylazulene Molecule
InChIKey GXGJIOMUZAGVEH-UHFFFAOYSA-N Molecular Formula C14H16
Related Dataset(s)
-
7-hydroxy-6-methoxy-8-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa... Molecule
InChIKey CRSFLLTWRCYNNX-BKQKJWSFSA-N Molecular Formula C16H18O10
Related Dataset(s)
-
9-methyl-9-azabicyclo[3.3.1]nonan-3-one Molecule
InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Molecular Formula C9H15NO
Related Dataset(s)
- Pseudopelletierin.cosy
- Pseudopelletierin.aptjmod
- Pseudopelletierin.1d
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 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)
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicin.hsqc
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicin.1d
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicin.cosy
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
-
[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S... Molecule
InChIKey UEDUENGHJMELGK-PKAZMRMBSA-N Molecular Formula C38H60O18
Related Dataset(s)
-
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[2]
- Cocaine[5]
- Cocaine.aptjmod
- Cocaine.cosy
- Cocaine[6]
- Cocaine; LC-ESI-QTOF; MS2; 30 V
- 50-36-2.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 120 V
- Cocaine; LC-ESI-QTOF; MS2; 140 V
- Cocaine; LC-ESI-QTOF; MS2; 110 V
- Cocaine[4]
- Cocaine[1]
- 50-36-2[13c-apt.dx]
- Cocaine.hsqc
- Cocaine[3]
- Cocaine; LC-ESI-QTOF; MS2; 70 V
- 50-36-2[13c-apt.fid.dx]
- 50-36-2.hsqc
- 50-36-2[1h.dx]
- Cocaine; LC-ESI-QTOF; MS2; 80 V
- 50-36-2.proton
- Cocaine; LC-ESI-QTOF; MS2; 60 V
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine; LC-ESI-QTOF; MS2; 20 V
- 50-36-2.cosy
- Cocaine.hmbc
- Cocaine.1d
- Cocaine; LC-ESI-QTOF; MS2; 150 V
- Cocaine; LC-ESI-QTOF; MS2; 100 V
- 50-36-2.noesy
- Cocaine; LC-ESI-QTOF; MS2; 10 V
- Cocaine.noesy
- Cocaine; LC-ESI-QTOF; MS2; 130 V
- Cocaine; LC-ESI-QTOF; MS2; 50 V
- Cocaine; LC-ESI-QTOF; MS2; 90 V
- Cocaine; LC-ESI-QTOF; MS2; 40 V
-
nfdi4chem-mol2018 (Unknown Molecule) Molecule
InChIKey ZTDFZLVUIVPZDU-NRSQRZTFSA-N
Related Dataset(s)
-
nfdi4chem-mol2347 (Unknown Molecule) Molecule
InChIKey GESZMTVZGWZBPW-QVDYUEJISA-N
Related Dataset(s)
-
nfdi4chem-mol2598 (Unknown Molecule) Molecule
InChIKey CSFWPUWCSPOLJW-UHFFFAOYSA-N Molecular Formula C10H6O3
Related Dataset(s)
-
nfdi4chem-mol2703 (Unknown Molecule) Molecule
InChIKey DGQLVPJVXFOQEV-IVUQUTFQSA-N
Related Dataset(s)
-
nfdi4chem-mol5725 (Unknown Molecule) Molecule
InChIKey MUPFEKGTMRGPLJ-GEPQCSQVSA-N
Related Dataset(s)
-
nfdi4chem-mol6098 (Unknown Molecule) Molecule
InChIKey MGRDPWLWGQMMGX-VTMSYMOKSA-N
Related Dataset(s)
