-
(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)
- (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: 10eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- (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: 10eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- 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.hmbc
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hsqc
- 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
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
-
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Molecule
InChIKey VFLDPWHFBUODDF-FCXRPNKRSA-N Molecular Formula C21H20O6
Related Dataset(s)
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Curcumine; LC-APCI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Curcumine; LC-APCI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Curcumine; LC-ESI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- CURCUMIN; EI-B; MS
- Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
- Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Curcumine; LC-ESI-QTOF; MS; NEGATIVE
- Curcumin; LC-ESI-ITTOF; MS; [M+H]+
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KXUCPTDWSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(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-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Classics_Abietic[4]
- Abietic acid.cosy
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- ABIETIC ACID; EI-B; MS
- Classics_Abietic[3]
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Classics_Abietic.hsqc
- Classics_Abietic[2]
- Abietic acid.apt
- Classics_Abietic[1]
- Abietic acid.hsqc
- Classics_Abietic[6]
- Abietic acid.hmbc
- Abietic acid.proton
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid.noesy
- 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)
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Galantamine.proton
- Galantamine.noesy
- Galantamine.hsqc
- Galantamine.cosy
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galantamine.apt
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Galantamine.hmbc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
-
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacy... Molecule
InChIKey WVTKBKWTSCPRNU-KYJUHHDHSA-N Molecular Formula C38H42N2O6
Related Dataset(s)
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
-
(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,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[13]
- YAC_4B (Compound 14) Rotenone[14]
- YAC_4B (Compound 14) Rotenone[11]
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_4B (Compound 14) Rotenone[12]
- YAC_4B (Compound 14) Rotenone[16]
- Rotenone; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS; POSITIVE
- Rotenone; LC-ESI-QQQ; MS; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[15]
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE:15 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-QTOF; MS; NEGATIVE
- Rotenone; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[17]
- Rotenone; LC-APCI-QTOF; MS; POSITIVE
- Rotenone; LC-APCI-QTOF; MS; NEGATIVE
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- YAC_4B (Compound 14) Rotenone[99999]
-
(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; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [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: 70%; R=15000; [M+H]+
- 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; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Piperine.noesy
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine.hsqc
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- Piperine.cosy
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine.hmbc
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [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-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-QTOF; MS2
- Piperine.proton
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
-
(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)
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[1]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[5]
- Amygdalin; LC-ESI-ITTOF; MS; [M+NH3+H]+
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[7]
- Classics_Amygdalin[6]
- Classics_Amygdalin[3]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[2]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[8]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[4]
-
(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-QQ; MS2
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [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-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; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- rosmarinic acid.hsqc
- rosmarinic acid.noesy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
- rosmarinic acid.hmbc
- rosmarinic acid.cosy
- rosmarinic acid.aptjmod
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
-
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Molecule
InChIKey PFTAWBLQPZVEMU-UKRRQHHQSA-N Molecular Formula C15H14O6
Related Dataset(s)
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Epicatechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hsqc
- Epicatechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; GC-EI-TOF; MS; n TMS; RT:1045.275 sec
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_JDX.jdx]
- Epicatechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS
- Epicatechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_Jeol.jdf]
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
-
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Molecule
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-N Molecular Formula C15H14O6
Related Dataset(s)
- Catechin; LC-ESI-QTOF; MS
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.cosy
- Catechin annotated NMR 400 MHz DMSOd6 data.2d
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.hsqc
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Catechin; LC-ESI-QQ; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin annotated NMR 400 MHz DMSOd6 data[simulated_1H.jdx]
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QTOF; MS2
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
-
(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one Molecule
InChIKey DAWSYIQAGQMLFS-SFHVURJKSA-N
Related Dataset(s)
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[13]
- YAC_1K (Compound 8) Glabranin[16]
- YAC_1K (Compound 8) Glabranin[14]
- YAC_1K (Compound 8) Glabranin[17]
- YAC_1K (Compound 8) Glabranin[15]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[12]
- YAC_1K (Compound 8) Glabranin[99999]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[11]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
-
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14... Molecule
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N Molecular Formula C42H62O16
Related Dataset(s)
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gHSQC.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC-ABS.jdf]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdx]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_ 1HqNMR.jdf]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_13C.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY_900.jdx]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_ROESY.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_13C.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC_900.jdx]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_13C_DEPTQ135.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gROESY_phase.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H_900.jdx]
-
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex... Molecule
InChIKey DDUHZTYCFQRHIY-RBHXEPJQSA-N Molecular Formula C17H17ClO6
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
- heteronuclear single quantum coherence (HSQC)
-
(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; LC-APCI-QTOF; MS; POSITIVE
- Eserine[59]
- Eserine[53]
- Eserine.dept
- Eserine.dept
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine[50]
- Eserine[1057]
- Eserine[20]
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[12]
- Eserine.hsqc
- Eserine[55]
- Eserine.1d
- Eserine[57]
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine[54]
- Eserine[11]
- Eserine[51]
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Eserine[56]
-
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,1... Molecule
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N Molecular Formula C29H48O
Related Dataset(s)
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- STIGMASTEROL; EI-B; MS
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_1H.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[4_Stigmasterol_STIG02_HSQC]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
-
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one Molecule
InChIKey ULDHMXUKGWMISQ-SECBINFHSA-N
Related Dataset(s)
- (-)-Carvone[3]
- (-)-Carvone[1]
- (-)-Carvone[3]
- (-)-Carvone[4]
- (-)-Carvone[5]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 20; [M+H]+
- (-)-Carvone[5]
- (-)-Carvone[4]
- (-)-Carvone[6]
- (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+
- (-)-Carvone[2]
- (-)-Carvone[6]
- (-)-Carvone[2]
- (-)-Carvone[1]
