-
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one Molecule
InChIKey ZIUSSTSXXLLKKK-KOBPDPAPSA-N Molecular Formula C21H20O6
Related Dataset(s)
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hsqc
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.noesy
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.cosy
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hmbc
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.proton
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
-
(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; EI-B; MS
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid.hsqc
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Abietic acid.proton
- Abietic acid.hmbc
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Classics_Abietic.apt
- Classics_Abietic[4]
- Abietic acid.noesy
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Classics_Abietic[6]
- Classics_Abietic[1]
- Classics_Abietic[3]
- Classics_Abietic.hsqc
- Abietic acid.cosy
- Abietic acid.apt
-
(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.apt
- Galantamine.cosy
- Galantamine.noesy
- Galantamine.hmbc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
-
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Molecule
InChIKey MXXWOMGUGJBKIW-YPCIICBESA-N Molecular Formula C17H19NO3
Related Dataset(s)
- Piperine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Piperine.noesy
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine.hmbc
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine.cosy
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- piperine; LC-ESI-QQQ; MS; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Piperine.hsqc
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine.proton
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
-
(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: 10eV; R=7000; [M-H]-
- rosmarinic acid.hmbc
- rosmarinic acid.noesy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- rosmarinic acid.cosy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
- 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:30 V; [2M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
- rosmarinic acid.hsqc
- Rosmarinic acid; LC-ESI-QQ; MS2
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- rosmarinic acid.aptjmod
-
(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; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine.cosy
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine.aptjmod
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine.proton
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.hmbc
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine.noesy
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
1,3,7-trimethylpurine-2,6-dione Molecule
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N Molecular Formula C8H10N4O2
Related Dataset(s)
- Classics_Caffeine.noesy
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 30 V
- Caffeine; LC-ESI-QTOF; MS2; 50 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL.hmbc
- Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 130 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 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: 60%; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 120 V
- Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- caffeine.noesy
- Caffeine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Caffeine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- caffeine.hsqc
- Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; 10 V
- Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 20 V
- Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 150 V
- caffeine.c13
- Caffeine; LC-ESI-QTOF; MS2; 100 V
- Caffeine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 80 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[11]
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- Classics_Caffeine[1]
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 60 V
- Classics_Caffeine.hmbc
- Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- caffeine.proton
- Caffeine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL.noesy
- Caffeine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Classics_Caffeine[4]
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Caffeine; GC-EI-TOF; MS; n TMS; RT:724.344 sec
- Caffeine; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
- caffeine.hmbc
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; GC-EI-TOF; MS; BP:194
- 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[2]
- Caffeine; LC-ESI-Q; MS; POS; 45 V
- Caffeine; LC-ESI-QTOF; MS2; 70 V
- Caffeine; LC-ESI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 140 V
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024_500[1]
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; CI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; CE:30 V; [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_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[13]
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-QTOF; MS2; 110 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 60 V
- Caffeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; CI-B; MS
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[9]
- Caffeine; LC-ESI-Q; MS; POS; 75 V
- Caffeine; LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-Q; MS; POS; 90 V
- Caffeine; LC-ESI-QTOF; MS2; 90 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-APCI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
- Classics_Caffeine.hmqc
- Caffeine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1,3,7-TRIMETHYLXANTHINE; EI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
2-methoxy-4-prop-2-enylphenol Molecule
InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
- EUGENOL.noesy
- Eugenol 400 MHz CDCl3 NMR data.2d
- Classics_Eugenol[1]
- Classics_Eugenol[5]
- EUGENOL.cosy
- Classics_Eugenol.jres
- EUGENOL; EI-B; MS
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 2-METHOXY-4-(2-PROPENYL)PHENOL; EI-B; MS
- EUGENOL.proton
- Eugenol 400 MHz CDCl3 NMR data.hmbc
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- EUGENOL; EI-B; MS
- EUGENOL.hsqc
- Eugenol 400 MHz CDCl3 NMR data.2d
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Eugenol 400 MHz CDCl3 NMR data.2d
- EUGENOL.c13
- Classics_Eugenol[8]
- EUGENOL.hmbc
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Classics_Eugenol[4]
- Classics_Eugenol[3]
- Classics_Eugenol[6]
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol 400 MHz CDCl3 NMR data.
- Eugenol 400 MHz CDCl3 NMR data.hsqc
- Classics_Eugenol[2]
- Eugenol 400 MHz CDCl3 NMR data.cosy
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
-
3-(1-methylpyrrolidin-2-yl)pyridine Molecule
InChIKey SNICXCGAKADSCV-UHFFFAOYSA-N Molecular Formula C10H14N2
Related Dataset(s)
- Nicotine.apt
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.hmbc
- Nicotine.c13
- Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [M+H]+
- Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [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
- Nicotine.c13
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; CI-B; MS
- Nicotine.cosy
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; EI-B; MS
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
- Nicotine.noesy
- Nicotine.hsqc
- Nicotine.hsqc
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
-
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:20 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierin.aptjmod
- Pseudopelletierin.1d
-
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: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 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; 45 V
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicin.1d
- Colchicine; LC-ESI-QTOF; MS2; 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: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- 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-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicin.hsqc
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- 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-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
-
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.noesy
- Cocaine; LC-ESI-QTOF; MS2; 140 V
- Cocaine; LC-ESI-QTOF; MS2; 60 V
- 50-36-2[1h.dx]
- Cocaine; LC-ESI-QTOF; MS2; 150 V
- 50-36-2.proton
- Cocaine; LC-ESI-QTOF; MS2; 50 V
- Cocaine; LC-ESI-QTOF; MS2; 90 V
- Cocaine; LC-ESI-QTOF; MS2; 130 V
- 50-36-2[13c-apt.fid.dx]
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine.aptjmod
- Cocaine; LC-ESI-QTOF; MS2; 80 V
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine.cosy
- 50-36-2.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 100 V
- Cocaine; LC-ESI-QTOF; MS2; 120 V
- Cocaine; LC-ESI-QTOF; MS2; 70 V
- 50-36-2.noesy
- Cocaine; LC-ESI-QTOF; MS2; 110 V
- Cocaine.1d
- 50-36-2.apt
- Cocaine.hsqc
- Cocaine; LC-ESI-QTOF; MS2; 20 V
- Cocaine.hmbc
- 50-36-2.hsqc
- Cocaine; LC-ESI-QTOF; MS2; 30 V
- 50-36-2.cosy
- Cocaine; LC-ESI-QTOF; MS2; 10 V
