-
[(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-QTOF; MS2; CE: 20; R=; [M+H]+
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (-)-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_HMBC_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_400MHz_Jeol.jdf]
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:10 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; LC-ESI-QTOF; MS
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- (-)-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: 20; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-ITTOF; MS; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; 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; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:30 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_HSQC_400MHz_Jeol.jdf]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- 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_HSQC_400MHz_JDX.jdx]
- 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 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_qHNMR_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: 40; R=; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
-
[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S... Molecule
InChIKey UEDUENGHJMELGK-PKAZMRMBSA-N Molecular Formula C38H60O18
Related Dataset(s)
-
[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone Molecule
InChIKey LFFIIZFINPPEMC-UHFFFAOYSA-N
Related Dataset(s)
-
[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone Molecule
InChIKey IGBHZHCGWLHBAE-UHFFFAOYSA-N
Related Dataset(s)
-
[17-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dode... Molecule
InChIKey VQQAAFHOPRDUNW-UHFFFAOYSA-N
Related Dataset(s)
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[5]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[2]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.hsqc
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.hmbc
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[4]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[1]
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9.noesy
- 9_SODXX_163_FULL_C19_OH_C3_C17_DI_OAc_07_12_2021-CP9[3]
-
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahy... Molecule
InChIKey NDYMQXYDSVBNLL-UHFFFAOYSA-N Molecular Formula C32H44O8
Related Dataset(s)
-
butane Molecule
InChIKey IJDNQMDRQITEOD-UHFFFAOYSA-N
Related Dataset(s)
-
butyl 4-hydroxybenzoate Molecule
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N Molecular Formula C11H14O3
Related Dataset(s)
- BUTYL PARA HYDROXY BENZOATE; EI-B; MS
- 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-QTOF; MS2; CE: 10 eV; R=35000; [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: 35; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 19.7-29.6 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [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: 40 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 94-26-8.proton
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- 94-26-8[hmqc.dx]
- 94-26-8.hmbc
- 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: 55; R=15000; [M-H]-
- 94-26-8[cosy.dx]
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- 94-26-8[13c.dx]
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- BUTYL 4-HYDROXYBENZOATE; EI-B; MS
-
butyl prop-2-enoate Molecule
InChIKey CQEYYJKEWSMYFG-UHFFFAOYSA-N Molecular Formula C7H12O2
Related Dataset(s)
- 141-32-2[cosy.dx]
- 141-32-2[13c-gd.dx]
- 141-32-2[1h.dx]
- butyl acrylate.1d
- BUTYL ACRYLATE; CI-B; MS
- BUTYL ACRYLATE; EI-B; MS
- 141-32-2[1Hnoesypr.fid.dx]
- butyl acrylate.cosy
- N-BUTYL ACRYLATE; EI-B; MS
- butyl acrylate.hsqc
- BUTYL ACRYLATE; EI-B; MS
- 141-32-2[13c.fid.dx]
- butyl acrylate.1d
- 141-32-2[1h-noesypr.dx]
- 141-32-2[hsqced.dx]
- 141-32-2[13c.dx]
- 141-32-2[cosy.ser.dx]
- 141-32-2[hsqced.ser.dx]
- 141-32-2[1h.fid.dx]
- 141-32-2[13c-gd.fid.dx]
-
deuterated water Molecule
InChIKey XLYOFNOQVPJJNP-ZSJDYOACSA-N
Related Dataset(s)
- D2O Data[309]
- D2O Data[284]
- D2O Data[283]
- SI_Outreach_0.8mL_D2O_0.008mL_AcOD-05_31_2024[1]
- D2O Data[323]
- D2O Data[318]
- D2O Data[298]
- D2O Data[310]
- D2O Data[293]
- D2O Data[304]
- D2O Data[288]
- D2O Data[289]
- D2O Data[299]
- D2O Data[303]
- D2O Data[329]
- D2O Data[324]
- D2O Data[319]
- D2O Data[328]
- D2O Data[294]
- D2O Data[311]
- D2O Data[279]
- D2O Data[314]
- D2O Data[308]
- D2O Data[278]
-
dipotassium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)... Molecule
InChIKey QLBHNVFOQLIYTH-UHFFFAOYSA-L
Related Dataset(s)
-
ethane Molecule
InChIKey OTMSDBZUPAUEDD-UHFFFAOYSA-N
Related Dataset(s)
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[21]
- 2-1A_Figure_1B_spinach_crude_05292024[1]
- ETHANE; EI-B; MS
- 4-3A_Figure_3D_orange_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[18]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[16]
- Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- 2-2A_Figure_2B_leaves_Mountain_Laurel_tree_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[20]
- 3-2A_Figure_2C_tomato_crude_05292024[1]
- 3-1A_Figure_1C_red_cabbage_crude_CDCl3_05302024[1]
- 4-2A_Figure_2D_lime_crude_05292024[6]
- Outreach_std_linoleic_acid_05312024[1]
- 1-2A_Figure_2A_black_tea_crude_05292024[1]
- SI_Outreach_4_2E_column_lime_05302024[1]
- SI_Outreach_4_2L_colum_lime_05302024[1]
- Outreach_4_2F_column_lime_05312024_300[1]
- 2-3A_Figure_3B_blueberry_crude_d6_DMSO_05302024[1]
- Outreach_4_2F_column_lime_05312024_300[3]
- SI_Outreach_4_2G_column_lime_05302024[1]
- SI_Outreach_4_2J_colum_lime_05302024[1]
- SI_Outreach_5_3A_lime_meat_05312024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[3]
- SI_Outreach_4_2C_column_lime_05302024[1]
- SI_Outreach_4_2B_column_lime_05302024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[5]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[15]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[19]
- Outreach_4_2K_column_lime_05_30_2024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[1]
- Outreach_4_2F_column_lime_05312024_300[2]
- 3-1A_Figure_1C_red_cabbage_crude_d6_DMSO_05302024[1]
- 1-1A_Figure_1A_coffee_crude_05292024[3]
- 4-1A_Figure_1D_lemon_crude_05292024[2]
- SI_Outreach_3_1A_red_cabbage_extract_05_30_2024[1]
- 1-1A_Figure_1A_coffee_crude_05292024[2]
- SI_Outreach_4_2K_column_lime_05_30_2024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[1]
- 4-2A_Figure_2D_lime_crude_05292024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[4]
- 4-1A_Figure_1D_lemon_crude_05292024[3]
- 2-3A_Figure_3B_blueberries_crude_CDCl3_05302024[1]
- SI_Outreach_4_2F_D_2nd_column_lime_05312024[1]
- SI_Outreach_5_2A_lemon_meat_05312024[1]
- 1-1A_Figure_1A_coffee_crude_05292024[1]
- 1-3A_Figure_3A_green_tea_crude_05292024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[6]
- 3-3A_Figure_3C_carrots_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[17]
- 4-2A_Figure_2D_lime_crude_05292024[7]
- SI_Outreach_3_1A_red_cabbage_extract_AcOH_05_30_2024[1]
-
ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Molecule
InChIKey KQGQONPKSKUHHT-AWEZNQCLSA-N Molecular Formula C15H18N2O3
Related Dataset(s)
-
ethyl (E)-3-phenylprop-2-enoate Molecule
InChIKey KBEBGUQPQBELIU-CMDGGOBGSA-N Molecular Formula C11H12O2
Related Dataset(s)
- ETHYL 3-PHENYL-2-PROPENOATE; EI-B; MS
- CINNAMIC ACID ETHYL ESTER; EI-B; MS
- Ethyl cinnamate, 103-36-6[6]
- ETHYL 3-PHENYL-2-PROPENOATE; CI-B; MS
- ETHYL CINNAMATE; EI-B; MS
- ETHYL CINNAMATE; EI-B; MS
- Ethyl cinnamate, 103-36-6[3]
- ETHYL CINNAMATE; EI-B; MS
- Ethyl cinnamate, 103-36-6[2]
- Ethyl cinnamate, 103-36-6[1]
- Ethyl cinnamate, 103-36-6[4]
- Ethyl cinnamate, 103-36-6[10]
- Ethyl cinnamate, 103-36-6[5]
-
ethyl (E)-but-2-enoate Molecule
InChIKey ZFDIRQKJPRINOQ-HWKANZROSA-N Molecular Formula C6H10O2
Related Dataset(s)
- Propyl ethoxy ethyl Des Br[4]
- Jena_623-70-1_light[3]
- Propyl ethoxy ethyl Des Br[3]
- Jena_623-70-1_light[2]
- Propyl ethoxy ethyl Des Br[1]
- ETHYL CROTONATE; EI-B; MS
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Propyl ethoxy ethyl Des Br[6]
- Propyl ethoxy ethyl Des Br[2]
- Jena_623-70-1_light[6]
- Jena_623-70-1_light[1]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Jena_623-70-1_light[4]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Propyl ethoxy ethyl Des Br[5]
- Jena_623-70-1_light[5]
- ETHYL CROTONATE; EI-B; MS
- CROTONIC ACID ETHYL ESTER; CI-B; MS
-
ethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate Molecule
InChIKey RNWBJOCYFGGMRJ-UHFFFAOYSA-N
Related Dataset(s)
-
ethyl 2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate Molecule
InChIKey YOECWCNJGHHTMN-UHFFFAOYSA-N
Related Dataset(s)
-
ethyl 2-acetamido-3-(4-prop-2-enoxyphenyl)propanoate Molecule
InChIKey MBTNHLBOGYEUJA-UHFFFAOYSA-N Molecular Formula C16H21NO4
Related Dataset(s)
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[30]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[1]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[10]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[15]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[5]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[40]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[20]
-
ethyl 3,3-dimethyl-2-[(1-pentylindazole-3-carbonyl)amino]butanoate Molecule
InChIKey HKKKXLZFEZHHFC-UHFFFAOYSA-N
Related Dataset(s)
