-
(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.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Curcumine; LC-ESI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Curcumin; LC-ESI-ITTOF; MS; [M+H]+
- Curcumine; LC-APCI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Curcumine; LC-ESI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- CURCUMIN; EI-B; MS
- Curcumine; LC-APCI-QTOF; MS; POSITIVE
- Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
-
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-pro... Molecule
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N Molecular Formula C30H50O
Related Dataset(s)
- Lupeol 900MHz 400MHz CDCl3 NMR data[1_Lupeol_1H]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_qH.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HSQC.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.dept
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[2_Lupeol_gcosy]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_HSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_q1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data.1d
- Lupeol 900MHz 400MHz CDCl3 NMR data[3_Lupeol_13CdeptQ]
- Lupeol 900MHz 400MHz CDCl3 NMR data[4_Lupeol_HSQC]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gHSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
-
(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
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (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_HMBC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_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_1HNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (+)-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_400MHz_JDX.jdx]
- (+)-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_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
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
-
(1S,2R,4aS,6aS,6bR,10S,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5... Molecule
InChIKey WCGUUGGRBIKTOS-POPPTPIPSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Ursolic Acid 400MHz DMSOd6 NMR data[Proton_NMR.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHSQC_DecEnh_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HMBC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHMBC_8Hz_NS8_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HSQC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data.cosy
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gCOSY_NS4_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[13C_NMR.jdx]
-
(1S,4S,7S,9R)-9-hydroxy-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0... Molecule
InChIKey ZXNHGYZICBCEIG-YHDSQAASSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 1H.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 13C.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b NOESY.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-(2-methylsulfanylethyl)-2,5,16-triazatetracyclo[7.7... Molecule
InChIKey ALNWVOBRFCMSET-GVAFMPQTSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.2d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b HMBC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.1d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b 13C.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,5,16-triazatetracyclo[7... Molecule
InChIKey VSZDKEGHNKLVGT-CPLUKWAASA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HSQC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 1H.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 13C.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HMBC.jdf]
-
(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; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hsqc
- (-)-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 400 MHz in DMSOd6 NMR data.2d
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.1d
- (-)-Epicatechin; LC-ESI-QQ; 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; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QQ; MS2
- Epicatechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Epicatechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-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-ITFT; MS2; CE 70 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.2d
- Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.cosy
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hmbc
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; GC-EI-TOF; MS; n TMS; RT:1045.275 sec
- (-)-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
-
(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)
- 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:26 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.hsqc
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Cianidanol; LC-ESI-QQ; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
- 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; CE: 20; R=; [M+H]+
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [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; R=; [M-H]-
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Catechin annotated NMR 400 MHz DMSOd6 data.hmbc
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [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.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
-
(3S,10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,... Molecule
InChIKey KZJWDPNRJALLNS-UIKPJUSWSA-N Molecular Formula C29H50O
Related Dataset(s)
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data.cosy
- SitosterolBeta 400MHz CDCl3 NMR data.2d
- SitosterolBeta 400MHz CDCl3 NMR data.
- SitosterolBeta 400MHz CDCl3 NMR data.1d
- SitosterolBeta 400MHz CDCl3 NMR data.hmbc
- SitosterolBeta 400MHz CDCl3 NMR data.2d
- SitosterolBeta 400MHz CDCl3 NMR data.hsqc
- SitosterolBeta 400MHz CDCl3 NMR data.
- SitosterolBeta 400MHz CDCl3 NMR data.2d
-
(9Z,12Z)-octadeca-9,12-dienoic acid Molecule
InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N Molecular Formula C18H32O2
Related Dataset(s)
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.2d
- alpha-LA-[d14]; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
- Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:73
- Linoleic acid; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- alpha-LA-[d14]; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.
- Linoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.2d
- Linoleic acid; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.hsqc
- Linoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.1d
- Linoleic acid 400 MHz in CDCl3 NMR data.1d
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+HCOOH-H]-
- Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:95
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Linoleic acid 400 MHz in CDCl3 NMR data.2d
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Linoleic acid 400 MHz in CDCl3 NMR data.1d
- Linoleic acid 400 MHz in CDCl3 NMR data.hmbc
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Linoleic acid; FAB-EBEB; MS2; m/z: 279.23; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
- alpha-LA-[d14]; LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
- Linoleic acid; LC-ESI-IT; MS2; m/z: 279.3; [M-H]-
-
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid Molecule
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N Molecular Formula C9H8O4
Related Dataset(s)
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- Caffeic acid 400 MHz in DMSOd6 NMR data.
- (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QTOF; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Caffeic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- Caffeic acid; LC-ESI-QTOF; MS; NEGATIVE
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- CAFFEIC ACID; EI-B; MS
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- Caffeic acid; GC-EI-TOF; MS; n TMS; RT:821.893 sec
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-CO2]-
- Caffeic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Caffeic acid; LC-ESI-QQ; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOIC ACID; EI-B; MS
- Caffeic acid 400 MHz in DMSOd6 NMR data.cosy
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Caffeic acid; LC-APCI-QTOF; MS; NEGATIVE
- Caffeic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid 400 MHz in DMSOd6 NMR data.
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Caffeic acid 400 MHz in DMSOd6 NMR data.hsqc
- Caffeic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Caffeic acid 400 MHz in DMSOd6 NMR data.1d
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid 400 MHz in DMSOd6 NMR data.2d
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
-
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide Molecule
InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N Molecular Formula C18H27NO3
Related Dataset(s)
- Capsaicin 400 MHz DMSOd6 NMR data[1HNMR_jdx.jdx]
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_hsqc_dec_en_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Capsaicin 400 MHz DMSOd6 NMR data.hmbc
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-Q; MS; POS; 45 V
- Capsaicin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Capsaicin; LC-ESI-Q; MS; POS; 15 V
- Capsaicin; LC-ESI-Q; MS; POS; 75 V
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_hmbc_pfg_NS8_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Capsaicin; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data[HSQC.jdx]
- Capsaicin; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data[q1HNMR_zg30.jdx]
- Capsaicin 400 MHz DMSOd6 NMR data[gCOSY.jdx]
- Capsaicin; LC-ESI-Q; MS; POS; 60 V
- Capsaicin 400 MHz DMSOd6 NMR data.2d
- Capsaicin; LC-ESI-ITTOF; MS; [M+H]+
- Capsaicin; LC-APCI-QTOF; MS; NEGATIVE
- Capsaicin 400 MHz DMSOd6 NMR data.1d
- Capsaicin; LC-APCI-QTOF; MS; POSITIVE
- Capsaicin; LC-ESI-QTOF; MS; NEGATIVE
- Capsaicin; LC-ESI-Q; MS; POS; 30 V
- Capsaicin; LC-ESI-QTOF; MS; POSITIVE
- Capsaicin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Capsaicin 400 MHz DMSOd6 NMR data[13C_NMR.jdx]
- Capsaicin; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_qHNMRspin_30s_20p_128_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-Q; MS; POS; 90 V
- Capsaicin; LC-ESI-ITTOF; MS2; [M-H]-
-
(Z)-octadec-9-enoic acid Molecule
InChIKey ZQPPMHVWECSIRJ-KTKRTIGZSA-N Molecular Formula C18H34O2
Related Dataset(s)
- OLEIC ACID; EI-B; MS
- Oleic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data.hsqc
- SI_Outreach_std_REAL_oleic_acid_05312024[1]
- Oleic acid 400 MHz in CDCl3 NMR data.1d
- Oleic acid 400 MHz in CDCl3 NMR data.hmbc
- Oleic acid 400 MHz in CDCl3 NMR data.2d
- Oleic acid 400 MHz in CDCl3 NMR data.cosy
- Oleic acid 400 MHz in CDCl3 NMR data.2d
- Oleic acid 400 MHz in CDCl3 NMR data.1d
- Outreach_std_oleic_acid_05312024[2]
- Oleic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Oleic acid; LC-ESI-IT; MS2; m/z: 281.3; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_1HNMR_400MHz_Jeol.jdf]
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- Oleic acid; GC-EI-TOF; MS; 1 TMS; BP:73
- Oleic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS
- Oleic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data.2d
- Oleic acid; FAB-EBEB; MS2; m/z: 281.25; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane Molecule
InChIKey WEEGYLXZBRQIMU-UHFFFAOYSA-N Molecular Formula C10H18O
Related Dataset(s)
- Eucalyptol[6]
- Eucalyptol.aptjmod
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol.cosy
- Eucalyptol.hsqc
- Eucalyptol.hmbc
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eucalyptol.1d
- Eucalyptol 400 MHz in CDCl3 NMR data .cosy
- Eucalyptol 400 MHz in CDCl3 NMR data .
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol.noesy
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol 400 MHz in CDCl3 NMR data .hmbc
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
-
1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- D-Limonene 400 MHz in DMSOd6 NMR data.1d
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data.hmbc
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data.2d
- D-Limonene 400 MHz in DMSOd6 NMR data.
- D-Limonene 400 MHz in DMSOd6 NMR data.hsqc
- D-Limonene 400 MHz in DMSOd6 NMR data.2d
- D-Limonene 400 MHz in DMSOd6 NMR data.1d
- D-Limonene 400 MHz in DMSOd6 NMR data.1d
- 1-METHYL-4-ISOPROPENYLCYCLOHEXENE; EI-B; MS
-
1-methyl-4-propan-2-ylbenzene Molecule
InChIKey HFPZCAJZSCWRBC-UHFFFAOYSA-N Molecular Formula C10H14
Related Dataset(s)
- p-Cymene 400 MHz in CDCl3 NMR data.hmbc
- p-Cymene 400 MHz in CDCl3 NMR data.1d
- P-CYMENE; EI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data.2d
- p-Cymene 400 MHz in CDCl3 NMR data.
- p-Cymene 400 MHz in CDCl3 NMR data.2d
- p-Cymene 400 MHz in CDCl3 NMR data.1d
- 4-METHYL-1-ISOPROPYLBENZENE; CI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data.1d
- p-Cymene 400 MHz in CDCl3 NMR data.2d
- PARA-CYMENE; EI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data.hsqc
- p-Cymene 400 MHz in CDCl3 NMR data.cosy
- 1-ISOPROPYL-4-METHYLBENZENE; EI-B; MS
-
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henico... Molecule
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N Molecular Formula C20H18NO4+
Related Dataset(s)
- Berberine; LC-ESI-QTOF; MS2; CE:20 eV; [M]+
- Berberine annotated NMR 400 MHz DMSOd6 data[simulated_1H.jdx]
- Berberine annotated NMR 400 MHz DMSOd6 data.
- Berberine annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Berberine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Berberine; LC-ESI-IT; MS3; m/z: 336/292; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data.1d
- Berberine; LC-ESI-ITTOF; MS; [M]+
- Berberine; LC-ESI-QTOF; MS2; CE:30 eV; [M]+
- Berberine; LC-ESI-IT; MS3; m/z: 336/321; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data.
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Berberine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Berberine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Berberine annotated NMR 400 MHz DMSOd6 data.hsqc
- Berberine; LC-ESI-ITFT; MS2; CE 35 eV; [M]+
- Berberine annotated NMR 400 MHz DMSOd6 data.hmbc
- Berberine; LC-ESI-QQ; MS2; CE:30 eV; M+
- Berberine; LC-ESI-QQQ; MS; [M+H]+
- Berberine; LC-ESI-IT; MS2; m/z: 336; [M+H]+
- Berberine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data.2d
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Berberine annotated NMR 400 MHz DMSOd6 data.1d
- Berberine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data.cosy
- Berberine; LC-ESI-ITFT; MS; [M]+; isotope pattern
- Berberine; LC-ESI-ITFT; MS2; CE 45 eV; [M]+
- Berberine; LC-ESI-ITTOF; MS; [M]+
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Berberine annotated NMR 400 MHz DMSOd6 data.2d
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Berberine; LC-ESI-QQ; MS2; CE:35 eV; M+
- Berberine; LC-ESI-QTOF; MS2; CE:15 eV; [M]+
- Berberine; LC-ESI-QTOF; MS2; CE:10 eV; [M]+
-
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene Molecule
InChIKey GRWFGVWFFZKLTI-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.1d
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.1d
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.1d
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.cosy
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.cosy
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.2d
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.hsqc
- (1R,5R)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene, (1R,5R)-2-Pinene, (1R)-Pin-2-ene, (1R)-(+)-alpha-Pinene; LC-ESI-QQ; MS2
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.hmbc
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.1d
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data.1d
