-
(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: 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: 40eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- 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.proton
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- 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.noesy
- (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: 10eV
- (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: 20eV
-
(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[13C.jdf]
- Curcumine; LC-APCI-QTOF; MS; NEGATIVE
- Curcumin; LC-ESI-ITTOF; MS; [M+H]+
- Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Curcumine; LC-ESI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Curcumine; LC-APCI-QTOF; MS; POSITIVE
- Curcumine; LC-ESI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- CURCUMIN; EI-B; MS
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
-
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15... Molecule
InChIKey IXORZMNAPKEEDV-OBDJNFEBSA-N Molecular Formula C19H22O6
Related Dataset(s)
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Gibberellic Acid[1]
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Gibberellic Acid[2]
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Gibberellic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Gibberellin A3; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]-
-
(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)
- Classics_Abietic.hsqc
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Classics_Abietic.apt
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid.proton
- Classics_Abietic[3]
- Classics_Abietic[4]
- Abietic acid.apt
- Abietic acid.hsqc
- Classics_Abietic[6]
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- ABIETIC ACID; EI-B; MS
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Classics_Abietic[1]
- Abietic acid.noesy
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Abietic acid.hmbc
- Abietic acid.cosy
-
(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
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Galantamine.noesy
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hmbc
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Galantamine.cosy
-
(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)
- (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]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-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_1HNMR_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
- (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]
- (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_COSY_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-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_HMBC_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_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.hsqc
- Rotenone; LC-ESI-QTOF; MS; POSITIVE
- Rotenone; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone.hmbc
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; NEGATIVE
- YAC_4B (Compound 14) Rotenone[99999]
- Rotenone; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Rotenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Rotenone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- YAC_4B (Compound 14) Rotenone.cosy
- Rotenone; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Rotenone; LC-APCI-QTOF; MS; POSITIVE
- YAC_4B (Compound 14) Rotenone[14]
- Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- YAC_4B (Compound 14) Rotenone[11]
- Rotenone; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Rotenone; LC-ESI-QQQ; MS; [M+H]+
- YAC_4B (Compound 14) Rotenone.c13
- Rotenone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Rotenone; LC-ESI-ITFT; MS2; CE 70 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-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_4B (Compound 14) Rotenone[15]
- Rotenone; LC-ESI-QTOF; MS; NEGATIVE
- Rotenone; LC-ESI-QTOF; MS2; CE:15 eV; [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: 30 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine.cosy
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine.hsqc
- Piperine.hmbc
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [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-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine.proton
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; 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-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine.noesy
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [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)
- Classics_Amygdalin[5]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin.noesy
- Classics_Amygdalin.selective_tocsy
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[8]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[6]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-ITTOF; MS; [M+NH3+H]+
- Classics_Amygdalin.c13
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[3]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[1]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
-
(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 400 MHz in DMSOd6 NMR data.1d
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.cosy
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- (-)-Epicatechin; GC-EI-TOF; MS; n TMS; RT:1045.275 sec
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS
- Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hsqc
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.2d
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- (-)-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:Ramp 5-60 V; [M+H]+
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.2d
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hmbc
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.1d
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.1d
-
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-... Molecule
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
Related Dataset(s)
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.1d
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- Sucrose; GC-EI-TOF; MS; n TMS; RT:977.543 sec
- nmrxiv-pt-succrose.c13
- Sucrose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.
- nmrxiv-pt-succrose.c13
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:73
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103
-
(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; MS2; CE:55 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Cianidanol; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Catechin; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QQ; MS2
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Cianidanol; LC-ESI-QQ; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS
- Catechin annotated NMR 400 MHz DMSOd6 data.cosy
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Cianidanol; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin annotated NMR 400 MHz DMSOd6 data.hsqc
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.hmbc
- Catechin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Catechin; LC-ESI-QTOF; MS2
- (+)-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; MS; CE:10 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.2d
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS; POS
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [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)
- YAC_1K (Compound 8) Glabranin[99999]
- YAC_1K (Compound 8) Glabranin[15]
- YAC_1K (Compound 8) Glabranin[16]
- YAC_1K (Compound 8) Glabranin.1d
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[17]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[13]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.c13
- YAC_1K (Compound 8) Glabranin[14]
-
(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)
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
-
(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)
- heteronuclear multiple bond coherence (HMBC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate Molecule
InChIKey LPTITAGPBXDDGR-UHFFFAOYSA-N
Related Dataset(s)
-
(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[12]
- Eserine.dept
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[53]
- Eserine.dept
- Eserine[55]
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine[51]
- Eserine.hsqc
- Eserine[59]
- Eserine[56]
- Eserine.1d
- Eserine.cosy
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine[54]
- Eserine[11]
- Eserine[57]
- Eserine.1d
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine[1057]
