-
(2S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KYHHOPLUSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(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[GlycyrrhizinNH4_1H_900.jdx]
- 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
-
(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]
-
(3R)-3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-JTQLQIEISA-N Molecular Formula C10H18O
Related Dataset(s)
-
(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[13C.jdx]
- SitosterolBeta 400MHz CDCl3 NMR data[gCOSY.jdx]
- SitosterolBeta 400MHz CDCl3 NMR data[HMBC.jdx]
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_gHSQC_DecEnh_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_gHMBC_8Hz_NS8_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data[1H.jdx]
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_gCOSY_NS4_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data[SitosterolBeta_SITO01_3200u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- SitosterolBeta 400MHz CDCl3 NMR data[HSQC.jdx]
-
(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol Molecule
InChIKey SHZGCJCMOBCMKK-DHVFOXMCSA-N Molecular Formula C6H12O5
Related Dataset(s)
- Heterofucan[173]
- Heterofucan[172]
- Desulfated_heterofucan[168]
- Desulfated_heterofucan[180]
- Heterofucan[171]
- Heterofucan[170]
- Desulfated_heterofucan[167]
- Desulfated_heterofucan[166]
- Desulfated_heterofucan[159]
- Heterofucan[175]
- Heterofucan[169]
- Desulfated_heterofucan[164]
- Heterofucan[174]
- Desulfated_heterofucan[179]
-
(3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid Molecule
InChIKey JXOHGGNKMLTUBP-KVQBGUIXSA-N Molecular Formula C7H10O5
Related Dataset(s)
-
(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_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[4_Stigmasterol_STIG02_HSQC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_1H.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- STIGMASTEROL; EI-B; MS
-
(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthre... Molecule
InChIKey ISHVJVXYPLFKAL-AZUAARDMSA-N Molecular Formula C20H28O
Related Dataset(s)
-
(4aS,5aR,8aS,13aR,15aR,15bS)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-m... Molecule
InChIKey QMGVPVSNSZLJIA-KGSDWGHESA-N Molecular Formula C21H22N2O2
Related Dataset(s)
-
(4aS,7S,8R,8aS)-7-(hydroxymethyl)-4,4a,7,8-tetramethyl-5,6,8,8a-tetrahydro-1H... Molecule
InChIKey WGASFLVJNBOWPQ-FAAHXZRKSA-N
Related Dataset(s)
- pyruvate-3-13C - unlabeled[13C]
- glucose-1-13C - unlabeled[1H]
- olindenone A (1)[1H]
- olindenone A (1)[COSY]
- glucose-1-13C - unlabeled[13C]
- pyruvate-3-13C- labeled comp 1[1H]
- pyruvate-3-13C - unlabeled[1H]
- glucose-1-13C - labeled.1d
- pyruvate-3-13C- labeled comp 1[13C]
- olindenone A (1)[HSQC]
- olindenone A (1).hmbc
- glucose-1-13C - labeled[1H]
-
(4aS,9S,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanth... Molecule
InChIKey JMYBTVXXLMTVKS-CMKODMSKSA-N Molecular Formula C20H30O
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[4]
- (-)-Carvone[2]
- (-)-Carvone.1d
- (-)-Carvone[5]
- (-)-Carvone[3]
- (-)-Carvone[1]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+
- (-)-Carvone[2]
- (-)-Carvone[4]
- (-)-Carvone[5]
- (-)-Carvone[6]
- (-)-Carvone[6]
- (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
- (-)-Carvone[3]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 20; [M+H]+
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- ultraviolet-visible spectrophotometry (UV-VIS)
- Pulegone.hsqc
- Pulegone.aptjmod
- Pulegone.proton
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.noesy
- NMR_Pulegone_Bruker-FID[3]
- NMR_Pulegone_Bruker-FID.1d
- Pulegone.cosy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Pulegone_Bruker-FID.hsqc
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electron ionisation mass spectrometry (EI-MS)
- NMR_Pulegone_Bruker-FID.aptjmod
-
(6-acetyloxy-13-bromo-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonad... Molecule
InChIKey NZSDFLXRBNYEQL-UHFFFAOYSA-N
Related Dataset(s)
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[2]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[6]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[4]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5.hsqc
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[5]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[1]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[3]
-
(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol Molecule
InChIKey CYQFCXCEBYINGO-IRXDYDNUSA-N Molecular Formula C21H30O2
Related Dataset(s)
-
(9Z,12Z)-octadeca-9,12-dienoic acid Molecule
InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N Molecular Formula C18H32O2
Related Dataset(s)
- Linoleic acid 400 MHz in CDCl3 NMR data.2d
- alpha-LA-[d14]; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:95
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_1H_400MHz_Jeol.jdf]
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- Linoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Linoleic acid; FAB-EBEB; MS2; m/z: 279.23; [M-H]-
- Linoleic acid; GC-EI-TOF; MS; 1 TMS; BP:73
- Linoleic acid; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- alpha-LA-[d14]; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+HCOOH-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data.hsqc
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Linoleic acid; LC-ESI-IT; MS2; m/z: 279.3; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- 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-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- alpha-LA-[d14]; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_1H_400MHz_JDX.jdx]
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- 9Z,12Z-Linoleic acid (NMR); LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Linoleic acid 400 MHz in CDCl3 NMR data[LinoleicAcid_4462ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Linoleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- Linoleic acid; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- Linoleic acid; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
- Linoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
-
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid Molecule
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N Molecular Formula C9H8O4
Related Dataset(s)
- 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 400 MHz in DMSOd6 NMR data.1d
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 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.
- Caffeic acid 400 MHz in DMSOd6 NMR data.hsqc
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- 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.2d
- (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
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE 10 ev; [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-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- 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
- 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
- Caffeic acid 400 MHz in DMSOd6 NMR data.cosy
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; GC-EI-TOF; MS; n TMS; RT:821.893 sec
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- 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; LC-APCI-QTOF; MS; NEGATIVE
- (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
- 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOIC ACID; EI-B; MS
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-CO2]-
- 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
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QQ; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- CAFFEIC ACID; EI-B; MS
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Caffeic acid 400 MHz in DMSOd6 NMR data.
- 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_13CNMR_400MHz_Jeol.jdf]
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Caffeic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeic acid 400 MHz in DMSOd6 NMR data[CaffeicAcid_3080ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [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_HMBC_400MHz_JDX.jdx]
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- trans-Caffeic acid; LC-ESI-QTOF; MS2
- Caffeic acid; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2
-
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide Molecule
InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N Molecular Formula C18H27NO3
Related Dataset(s)
- Capsaicin; LC-ESI-Q; MS; POS; 75 V
- Capsaicin; LC-ESI-QTOF; MS; POSITIVE
- Capsaicin 400 MHz DMSOd6 NMR data[gCOSY.jdx]
- Capsaicin; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_hmbc_pfg_NS8_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-Q; MS; POS; 45 V
- Capsaicin; LC-ESI-Q; MS; POS; 60 V
- Capsaicin 400 MHz DMSOd6 NMR data[HSQC.jdx]
- Capsaicin 400 MHz DMSOd6 NMR data[13C_NMR.jdx]
- Capsaicin; LC-ESI-QTOF; MS; NEGATIVE
- Capsaicin; LC-APCI-QTOF; MS; POSITIVE
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_qHNMRspin_30s_20p_128_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Capsaicin 400 MHz DMSOd6 NMR data.hmbc
- Capsaicin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- Capsaicin 400 MHz DMSOd6 NMR data.2d
- Capsaicin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Capsaicin; LC-ESI-Q; MS; POS; 30 V
- Capsaicin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Capsaicin 400 MHz DMSOd6 NMR data[q1HNMR_zg30.jdx]
- Capsaicin; LC-ESI-Q; MS; POS; 90 V
- Capsaicin 400 MHz DMSOd6 NMR data[1HNMR_jdx.jdx]
- Capsaicin; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data.1d
- Capsaicin; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Capsaicin 400 MHz DMSOd6 NMR data[Capsaicin_CAPS01_3150u200u_hsqc_dec_en_gfp1612-1-1.jdf]
- Capsaicin; LC-ESI-ITTOF; MS; [M+H]+
- Capsaicin; LC-APCI-QTOF; MS; NEGATIVE
- Capsaicin; LC-ESI-ITTOF; MS2; [M-H]-
- Capsaicin; LC-ESI-Q; MS; POS; 15 V
-
(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)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine.hmbc
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.noesy
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine.aptjmod
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[4]
- Quinine[5]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine.proton
- Quinine.cosy
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine[6]
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
