-
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol Molecule
InChIKey LUKBXSAWLPMMSZ-OWOJBTEDSA-N Molecular Formula C14H12O3
Related Dataset(s)
- Resveratrol; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-APCI-QTOF; MS; NEGATIVE
- Resveratrol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-QTOF; MS2; 30 V
- Resveratrol; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; 50 V
- Resveratrol; LC-ESI-QTOF; MS2; 10 V
- Resveratrol; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Resveratrol; LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Resveratrol; LC-ESI-QQ; MS2
- Resveratrol; LC-ESI-QTOF; MS
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[simulated_1H.jdx]
- Resveratrol; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-QQ; MS2; CE:25 eV; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS; NEGATIVE
- Resveratrol; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-QQ; MS2
- Resveratrol; LC-ESI-QTOF; MS2; 30 V
- Resveratrol; LC-ESI-QQ; MS2
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Resveratrol; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Resveratrol; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Resveratrol; LC-ESI-QQ; MS2
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Resveratrol; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Resveratrol; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Resveratrol; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Resveratrol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS2; 40 V
- Resveratrol; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Resveratrol; LC-ESI-QTOF; MS2; 20 V
- Resveratrol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Resveratrol; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Resveratrol; LC-ESI-QTOF; MS2; 20 V
- Resveratrol; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
- Resveratrol; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- Resveratrol; LC-ESI-QTOF; MS; POSITIVE
- Resveratrol; LC-ESI-QQ; MS2
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- Resveratrol; LC-ESI-QQ; MS2
- Resveratrol; LC-ESI-QTOF; MS2; 40 V
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- Resveratrol; LC-ESI-QTOF; MS2; 10 V
- trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Resveratrol; LC-ESI-QTOF; MS2; 40 V
- Resveratrol; LC-APCI-QTOF; MS; POSITIVE
- Resveratrol; LC-ESI-QTOF; MS2; 40 V
- Resveratrol; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- 3,4,5-Trihydroxystilbene; LC-ESI-QTOF; MS2
-
5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]... Molecule
InChIKey GAYGJVDTHPROFS-UHFFFAOYSA-N Molecular Formula C20H18O6
Related Dataset(s)
-
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one Molecule
InChIKey NISHDQWTPMJBJI-UHFFFAOYSA-N Molecular Formula C21H22O4
Related Dataset(s)
-
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane Molecule
InChIKey WTARULDDTDQWMU-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- beta-Pinene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_900MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_13C_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_1H_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- beta-Pinene; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_1H_400MHz_JDX.jdx]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
-
6-(hydroxymethyl)oxane-2,3,4,5-tetrol Molecule
InChIKey WQZGKKKJIJFFOK-UHFFFAOYSA-N Molecular Formula C6H12O6
Related Dataset(s)
- 492-62-6[1h.dx]
- 492-62-6[noesy.ser.dx]
- 492-62-6[cosy.ser.dx]
- D-Mannopyranose, D-Seminose, D-(+)-Mannose,from wood, Man, Carubinose; LC-ESI-QQ; MS2
- beta-D-Glucopyranose, beta-D(+)Glucose, beta-Glc; LC-ESI-QQ; MS2
- 492-62-6[13c.dx]
- Outreach_2_3_glucose_standard_D2O_05312024[1]
- 492-62-6[cosy.dx]
- 492-62-6[1h.fid.dx]
- 492-62-6[hmbc.ser.dx]
- 492-62-6[hsqced.ser.dx]
- 492-62-6[hmbc.dx]
- 492-62-6[noesy.dx]
- Isobar: glucose,fructose,mannose,galactose; LC-ESI-IT; MS2; m/z: 179.2; [M-H]-
- 492-62-6[13c.fid.dx]
- D-(+)-Galactose, Gal, Brain sugar, Cerebrose, D-Galactopyranose; LC-ESI-QQ; MS2
- 492-62-6[hsqced.dx]
- SI_Outreach_2_3_glucose_standard_D2O_05312024[1]
-
6-pentylpyran-2-one Molecule
InChIKey MAUFTTLGOUBZNA-UHFFFAOYSA-N Molecular Formula C10H14O2
Related Dataset(s)
- MC047_9[2]
- MC047_9[1]
- MC047_9[7]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- MC047_9[3]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 6-PENTYL-2-PYRONE; EI-B; MS
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- MC047_9[6]
- MC047_9[5]
- 6-PENTYL-ALPHA-PYRONE; EI-B; MS
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
-
6-propyl-2,3,4,5-tetrahydropyridine Molecule
InChIKey PQSOVRNZJIENNW-UHFFFAOYSA-N Molecular Formula C8H15N
Related Dataset(s)
-
7'-chloro-4'-hydroxy-6'-methyl-3,3'-dioxospiro[1-benzofuran-2,1'-2-benzofuran... Molecule
InChIKey XBSPICXSAXOFOV-UHFFFAOYSA-N Molecular Formula C17H9ClO7
Related Dataset(s)
-
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-UHFFFAOYSA-N Molecular Formula C11H14N2O
Related Dataset(s)
- 485-35-8.hmbc
- 485-35-8[dept45.dx]
- 485-35-8.dept
- 485-35-8.noesy
- 485-35-8[cosy.dx]
- 485-35-8[1h.fid.dx]
- 485-35-8[13c.fid.dx]
- 485-35-8[hnHMQC.ser.dx]
- 485-35-8[dept135.dx]
- 485-35-8[cosy.ser.dx]
- 485-35-8[dept135.fid.dx]
- 485-35-8[dept90.fid.dx]
- 485-35-8[dept45.fid.dx]
- 485-35-8.hsqc
- 485-35-8[hmbc.ser.dx]
- 485-35-8[deptq.fid.dx]
- 485-35-8[hnHMQC.dx]
- 485-35-8[13c.dx]
- 485-35-8[noesy.ser.dx]
- 485-35-8[hsqc.ser.dx]
- 485-35-8[1h.dx]
- 485-35-8.deptq
-
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-tri... Molecule
InChIKey QBKSWRVVCFFDOT-UHFFFAOYSA-N Molecular Formula C30H30O8
Related Dataset(s)
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HSQC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_COSY_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_COSY_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_13CMR_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_COSY_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_HSQC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_13CNMR_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_HSQC_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_COSY_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HSQC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_1HNMR_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_HMBC_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_13CNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_1HNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_1HNMR_600MHz_Bruker]
-
7-(diaminomethylideneamino)-4-[[3-(4-hydroxyphenyl)-2-(oct-2-enoylamino)propa... Molecule
InChIKey ANGGSYAIWRWBFA-UHFFFAOYSA-N Molecular Formula C25H37N5O5
Related Dataset(s)
-
7-ethyl-1,4-dimethylazulene Molecule
InChIKey GXGJIOMUZAGVEH-UHFFFAOYSA-N Molecular Formula C14H16
Related Dataset(s)
-
7-hydroxy-6-methoxy-8-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa... Molecule
InChIKey CRSFLLTWRCYNNX-BKQKJWSFSA-N Molecular Formula C16H18O10
Related Dataset(s)
-
7-methyl-3-methylideneocta-1,6-diene Molecule
InChIKey UAHWPYUMFXYFJY-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- MYRCENE; EI-B; MS
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- BETA-MYRCENE; EI-B; MS
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_900MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]
-
9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-... Molecule
InChIKey GPFVBJYXFRIOFB-UHFFFAOYSA-N Molecular Formula C20H28O3
Related Dataset(s)
- 20221118-VS-Diterpen 14[11]
- 20221118-VS-Diterpen 14[10]
- 20221118-VS-Diterpen 14[12]
- 20221118-VS-Diterpen 15[11]
- 20221118-VS-Diterpen 14[13]
- 20221118-VS-Diterpen 14[15]
- 20221118-VS-Diterpen 15[15]
- 20221118-VS-Diterpen 15[14]
- 20221118-VS-Diterpen 15[10]
- 20221118-VS-Diterpen 14[14]
- 20221118-VS-Diterpen 15[13]
- 20221118-VS-Diterpen 15[12]
-
9-methyl-9-azabicyclo[3.3.1]nonan-3-one Molecule
InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Molecular Formula C9H15NO
Related Dataset(s)
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Pseudopelletierin.aptjmod
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Pseudopelletierin.1d
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
-
N-(1-adamantyl)-1-(5-chloropentyl)indazole-3-carboxamide Molecule
InChIKey LGENBCKWDLSPTD-UHFFFAOYSA-N
Related Dataset(s)
-
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-butylindazole-3-carboxamide Molecule
InChIKey OYARCJMQMAFMTG-UHFFFAOYSA-N
Related Dataset(s)
-
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butylindazole-3-carboxamide Molecule
InChIKey GPWADXHYJAZPAX-UHFFFAOYSA-N
Related Dataset(s)
-
N-(4-methylphenyl)propanamide Molecule
InChIKey XWSRKIHDBLVVQU-UHFFFAOYSA-N Molecular Formula C10H13NO
Related Dataset(s)
