-
6-pentylpyran-2-one Molecule
InChIKey MAUFTTLGOUBZNA-UHFFFAOYSA-N Molecular Formula C10H14O2
Related Dataset(s)
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- MC047_9[5]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- MC047_9[1]
- 6-PENTYL-2-PYRONE; EI-B; MS
- 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]+
- MC047_9[6]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- 6-PENTYL-ALPHA-PYRONE; EI-B; MS
- MC047_9[2]
- MC047_9[7]
-
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[dept45.fid.dx]
- 485-35-8[noesy.ser.dx]
- 485-35-8.hsqc
- 485-35-8[dept135.fid.dx]
- 485-35-8[hnHMQC.ser.dx]
- 485-35-8[hmbc.ser.dx]
- 485-35-8[1h.fid.dx]
- 485-35-8[cosy.ser.dx]
- 485-35-8[1h.dx]
- 485-35-8[13c.fid.dx]
- 485-35-8.noesy
- 485-35-8.hmbc
- 485-35-8.dept
- 485-35-8[dept135.dx]
- 485-35-8[13c.dx]
- 485-35-8.deptq
- 485-35-8[dept90.fid.dx]
- 485-35-8[deptq.fid.dx]
- 485-35-8[hsqc.ser.dx]
- 485-35-8[hnHMQC.dx]
- 485-35-8[cosy.dx]
- 485-35-8[dept45.dx]
-
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_1HNMR_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_CDCl3_HSQC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_COSY_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_3650ug200uL_DMSOd6_HSQC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_1HNMR_600MHz_Bruker]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_13CNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_13CNMR_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_GOOS01_HSQC_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_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_3650ug200uL_CDCl3_COSY_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_HMBC_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_DMSOd6_1HNMR_600MHz_JDX.jdx]
-
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[Mycene_3120ug200uL_CDCl3_13C_400MHz_JDX.jdx]
- 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_HMBC_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_JDX.jdx]
- MYRCENE; EI-B; MS
- 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[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- BETA-MYRCENE; EI-B; MS
- 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_1H_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[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_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[10]
- 20221118-VS-Diterpen 15[10]
- 20221118-VS-Diterpen 15[14]
- 20221118-VS-Diterpen 14[14]
- 20221118-VS-Diterpen 15[12]
- 20221118-VS-Diterpen 14[13]
- 20221118-VS-Diterpen 15[15]
- 20221118-VS-Diterpen 14[12]
- 20221118-VS-Diterpen 14[11]
- 20221118-VS-Diterpen 15[11]
- 20221118-VS-Diterpen 14[15]
- 20221118-VS-Diterpen 15[13]
-
9-methyl-9-azabicyclo[3.3.1]nonan-3-one Molecule
InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Molecular Formula C9H15NO
Related Dataset(s)
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Pseudopelletierin.1d
- Pseudopelletierin.aptjmod
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 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)
-
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acet... Molecule
InChIKey IAKHMKGGTNLKSZ-INIZCTEOSA-N Molecular Formula C22H25NO6
Related Dataset(s)
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicin.hsqc
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicin.1d
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
-
N-cyclohexyl-2-(1-pentylindol-3-yl)acetamide Molecule
InChIKey SYYOOLIGHZEOKJ-UHFFFAOYSA-N
Related Dataset(s)
-
N-phenylpropanamide Molecule
InChIKey ZTHRQJQJODGZHV-UHFFFAOYSA-N Molecular Formula C9H11NO
Related Dataset(s)
-
S-[(4-nitrophenyl)methyl] ethanethioate Molecule
InChIKey HFWGVLOQUXAWPJ-UHFFFAOYSA-N
Related Dataset(s)
-
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-h... Molecule
InChIKey RCINICONZNJXQF-MZXODVADSA-N Molecular Formula C47H51NO14
Related Dataset(s)
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Taxol; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Taxol; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
