-
(4aS,5aR,8aS,13aR,15aR,15bS)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-m... Molecule
InChIKey QMGVPVSNSZLJIA-KGSDWGHESA-N Molecular Formula C21H22N2O2
Related Dataset(s)
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Pulegone.cosy
- NMR_Pulegone_Bruker-FID[6]
- Pulegone.proton
- electron ionisation mass spectrometry (EI-MS)
- Pulegone.noesy
- NMR_Pulegone_Bruker-FID[3]
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Pulegone_Bruker-FID[1]
- NMR_Pulegone_Bruker-FID[4]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID[5]
- Pulegone.aptjmod
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID[2]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Pulegone.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
-
(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol Molecule
InChIKey CYQFCXCEBYINGO-IRXDYDNUSA-N Molecular Formula C21H30O2
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: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Quinine.aptjmod
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine.hmbc
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine[4]
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine.proton
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine[6]
- Quinine[2]
- Quinine.hsqc
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinine[1]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine[3]
- Quinine.cosy
- Quinine[5]
- Quinine.noesy
-
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_13CNMR_400MHz_Jeol.jdf]
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol.cosy
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- Eucalyptol[6]
- Eucalyptol 400 MHz in CDCl3 NMR data .
- Eucalyptol.noesy
- Eucalyptol.1d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Eucalyptol.hsqc
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eucalyptol.aptjmod
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol.hmbc
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
-
1,3,7-trimethylpurine-2,6-dione Molecule
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N Molecular Formula C8H10N4O2
Related Dataset(s)
- Caffeine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Classics_Caffeine[3]
- Caffeine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 45 V
- CAFFEINE; CI-B; MS
- CAFFEINE; EI-B; MS
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 140 V
- Caffeine; GC-EI-TOF; MS; BP:194
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[12]
- Caffeine; LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 50 V
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-APCI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-Q; MS; POS; 90 V
- Caffeine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[13]
- Caffeine; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Classics_Caffeine[5]
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- Caffeine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- caffeine.proton
- Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[11]
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 70 V
- Caffeine; LC-ESI-QTOF; MS2; 10 V
- Caffeine; GC-EI-TOF; MS; n TMS; RT:724.344 sec
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- Classics_Caffeine[6]
- Classics_Caffeine[1]
- Caffeine; LC-ESI-QTOF; MS2; 120 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 60 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- 1,3,7-TRIMETHYLXANTHINE; EI-B; MS
- Caffeine; LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 75 V
- caffeine.c13
- Caffeine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Classics_Caffeine[4]
- Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 60 V
- Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Caffeine; LC-ESI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-QTOF; MS2; 30 V
- CAFFEINE; CI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[14]
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- caffeine.noesy
- Caffeine; LC-ESI-QTOF; MS2; 130 V
- Caffeine; LC-ESI-QTOF; MS2; 110 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024_500[1]
- Caffeine; LC-ESI-QTOF; MS2; 150 V
- Caffeine; LC-ESI-QTOF; MS2; 100 V
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- caffeine.hmbc
- Caffeine; LC-ESI-QTOF; MS2; 20 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 90 V
- Caffeine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- caffeine.hsqc
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[9]
- Caffeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Caffeine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Classics_Caffeine[2]
- Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 80 V
-
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-methoxy-4-prop-2-enylphenol Molecule
InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- EUGENOL.hmbc
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- Classics_Eugenol[2]
- Eugenol 400 MHz CDCl3 NMR data.2d
- Classics_Eugenol[3]
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- EUGENOL.noesy
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eugenol 400 MHz CDCl3 NMR data.hsqc
- Classics_Eugenol.jres
- EUGENOL.proton
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.cosy
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.hmbc
- Classics_Eugenol[4]
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.1d
- 2-METHOXY-4-(2-PROPENYL)PHENOL; EI-B; MS
- Classics_Eugenol[5]
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Eugenol 400 MHz CDCl3 NMR data.
- Classics_Eugenol[8]
- EUGENOL.c13
- Classics_Eugenol[6]
- Classics_Eugenol[1]
- EUGENOL.cosy
- EUGENOL.hsqc
-
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)
- Nicotine.c13
- Nicotine.hsqc
- Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
- 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QTOF; MS2
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [M+H]+
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.hsqc
- Nicotine.cosy
- Nicotine.noesy
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; CI-B; MS
- Nicotine.hmbc
- Nicotine (not validated); LC-ESI-QTOF; MS2
- Nicotine.c13
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; EI-B; MS
- Nicotine.apt
- Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [M+H]+
-
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)
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierin.1d
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierin.aptjmod
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 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-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicin.hmbc
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicin.aptjmod
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Colchicin.1d
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicin.hsqc
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
-
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[3]
- Cocaine[2]
- 50-36-2[13c-apt.fid.dx]
- Cocaine; LC-ESI-QTOF; MS2; 130 V
- Cocaine; LC-ESI-QTOF; MS2; 110 V
- Cocaine; LC-ESI-QTOF; MS2; 90 V
- 50-36-2.hsqc
- Cocaine.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 60 V
- Cocaine.1d
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine[4]
- Cocaine[6]
- Cocaine.cosy
- Cocaine[1]
- 50-36-2.cosy
- Cocaine.noesy
- Cocaine; LC-ESI-QTOF; MS2; 10 V
- Cocaine[5]
- Cocaine.hsqc
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine; LC-ESI-QTOF; MS2; 50 V
- Cocaine; LC-ESI-QTOF; MS2; 140 V
- 50-36-2[1h.dx]
- 50-36-2.proton
- 50-36-2.noesy
- 50-36-2[13c-apt.dx]
- Cocaine; LC-ESI-QTOF; MS2; 20 V
- Cocaine; LC-ESI-QTOF; MS2; 80 V
- Cocaine; LC-ESI-QTOF; MS2; 70 V
- Cocaine.aptjmod
- Cocaine; LC-ESI-QTOF; MS2; 150 V
- Cocaine; LC-ESI-QTOF; MS2; 30 V
- 50-36-2.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 120 V
- Cocaine; LC-ESI-QTOF; MS2; 100 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)
