-
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane Molecule
InChIKey WTARULDDTDQWMU-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_1HNMR_60MHz_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_HMBC_400MHz_Jeol.jdf]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_1H_400MHz_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_HSQC_400MHz_JDX.jdx]
- (-)-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_6782ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data.hmbc
- BETA-PINENE; EI-B; MS
- 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_COSY_900MHz_JDX.jdx]
- 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_1HNMR_900MHz_JDX.jdx]
-
6-(hydroxymethyl)oxane-2,3,4,5-tetrol Molecule
InChIKey WQZGKKKJIJFFOK-UHFFFAOYSA-N Molecular Formula C6H12O6
Related Dataset(s)
- D-(+)-Galactose, Gal, Brain sugar, Cerebrose, D-Galactopyranose; LC-ESI-QQ; MS2
- Outreach_2_3_glucose_standard_D2O_05312024[1]
- 492-62-6[1h.fid.dx]
- 492-62-6[hmbc.dx]
- 492-62-6[13c.dx]
- Isobar: glucose,fructose,mannose,galactose; LC-ESI-IT; MS2; m/z: 179.2; [M-H]-
- D-Mannopyranose, D-Seminose, D-(+)-Mannose,from wood, Man, Carubinose; LC-ESI-QQ; MS2
- SI_Outreach_2_3_glucose_standard_D2O_05312024[1]
- 492-62-6.cosy
- 492-62-6[1h.dx]
- 492-62-6[hsqced.ser.dx]
- 492-62-6.hmbc
- beta-D-Glucopyranose, beta-D(+)Glucose, beta-Glc; LC-ESI-QQ; MS2
- 492-62-6[13c.fid.dx]
- 492-62-6[cosy.dx]
- 492-62-6[noesy.ser.dx]
- 492-62-6[noesy.dx]
- 492-62-6[hsqced.dx]
-
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: 60; R=17500; [M+H]+
- MC047_9[2]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 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: 75; R=17500; [M+H]+
- MC047_9[3]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- MC047_9.hsqc
- 6-PENTYL-2-PYRONE; EI-B; MS
- MC047_9.hmbc
- MC047_9[1]
- MC047_9.cosy
- 6-PENTYL-ALPHA-PYRONE; EI-B; MS
-
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_1HNMR_900MHz_JDX.jdx]
- 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_COSY_400MHz_JDX.jdx]
- 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[Myrcene_100000ug700uL_CDCl3_1H_400MHz_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_13C_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_1HNMR_60MHz_JDX.jdx]
- 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[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
-
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:10 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierin.1d
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Pseudopelletierin.aptjmod
- Pseudopelletierin.noesy
-
N,N-dimethyl-1-oxidopyridin-1-ium-4-amine Molecule
InChIKey WZMNQOYCHMGCSS-UHFFFAOYSA-N Molecular Formula C7H10N2O
Related Dataset(s)
-
N-(2-methylphenyl)acetamide Molecule
InChIKey BPEXTIMJLDWDTL-UHFFFAOYSA-N Molecular Formula C9H11NO
Related Dataset(s)
-
N-(4-bromophenyl)acetamide Molecule
InChIKey MSLICLMCQYQNPK-UHFFFAOYSA-N Molecular Formula C8H8BrNO
Related Dataset(s)
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- 4`-Bromacetanilide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- infrared absorption spectroscopy (IR)
- 4`-Bromacetanilide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
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-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- 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; [M+H]+; CE: 30eV
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicin.1d
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicin.hsqc
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [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-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
-
N-benzyl-1-phenylmethanamine Molecule
InChIKey BWLUMTFWVZZZND-UHFFFAOYSA-N Molecular Formula C14H15N
Related Dataset(s)
- Dibenzylamine; LC-ESI-QTOF; MS2; 130 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 20 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 30 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 140 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 150 V
- DIBENZYLAMINE; EI-B; MS
- Dibenzylamine; LC-ESI-QTOF; MS2; 120 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 100 V
- electron ionisation mass spectrometry (EI-MS)
- Dibenzylamine; LC-ESI-QTOF; MS2; 80 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 40 V
- infrared absorption spectroscopy (IR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 90 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 40 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 10 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 50 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 110 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 70 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 60 V
-
N-benzylprop-2-yn-1-amine Molecule
InChIKey LDYBFSGEBHSTOQ-UHFFFAOYSA-N Molecular Formula C10H11N
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- thin-layer chromatography (TLC)
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Raman spectroscopy (Raman spectrometry)
-
N-cyclohexyl-4-methylbenzenesulfonamide Molecule
InChIKey DKYVVNLWACXMDW-UHFFFAOYSA-N Molecular Formula C13H19NO2S
Related Dataset(s)
-
N-phenylpropanamide Molecule
InChIKey ZTHRQJQJODGZHV-UHFFFAOYSA-N Molecular Formula C9H11NO
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; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data.hmbc
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data.hsqc
- Taxol; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data.
- Taxol 400/600 MHz in DMSOd6 NMR data.cosy
- Taxol 400/600 MHz in DMSOd6 NMR data.2d
- Taxol 400/600 MHz in DMSOd6 NMR data.1d
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data.1d
- Taxol 400/600 MHz in DMSOd6 NMR data.
-
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl... Molecule
InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N Molecular Formula C22H18O11
Related Dataset(s)
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-ITTOF; MS; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin gallate; LC-ESI-QTOF; MS
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
-
[(E)-prop-1-enyl]benzene Molecule
InChIKey QROGIFZRVHSFLM-QHHAFSJGSA-N Molecular Formula C9H10
Related Dataset(s)
-
[4-(sulfanylmethyl)phenyl]methanethiol Molecule
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N Molecular Formula C8H10S2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1,4-BIS(MERCAPTOMETHYL)BENZENE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- thin-layer chromatography (TLC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- electron ionisation mass spectrometry (EI-MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- electron ionisation mass spectrometry (EI-MS)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
-
butan-2-one Molecule
InChIKey ZWEHNKRNPOVVGH-UHFFFAOYSA-N Molecular Formula C4H8O
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 2-BUTANONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- ETHYL METHYL KETONE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 2-BUTANONE; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- ethylmethylketone, methyl ethyl ketone, MeSH, Methylethylketone, Butan-2-one, Oxobutane, Ethyl Methyl Ketone, Methyl acetone, MEK, Meetco, EMK, 2-Butanone; LC-ESI-QQ; MS2
- correlation spectroscopy (COSY)
-
butane Molecule
InChIKey IJDNQMDRQITEOD-UHFFFAOYSA-N
Related Dataset(s)
-
butyl 4-hydroxybenzoate Molecule
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N Molecular Formula C11H14O3
Related Dataset(s)
- Butylparaben; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- 94-26-8.hmbc
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- 94-26-8[13c.dx]
- 94-26-8.proton
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 19.7-29.6 eV; R=35000; [M-H]-
- 94-26-8[hmqc.dx]
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- 94-26-8.cosy
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- BUTYL PARA HYDROXY BENZOATE; EI-B; MS
- Butylparaben; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 17.8-26.7 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- BUTYL 4-HYDROXYBENZOATE; EI-B; MS
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
