-
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-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicin.hsqc
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 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: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicin.noesy
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicin.1d
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
-
[(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_HMBC_400MHz_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_1HNMR_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_COSY_400MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- Taxol; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- 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_HSQC_400MHz_Jeol.jdf]
- Taxol; LC-ESI-ITFT; MS2; CE: 30%; 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_13CNMR_600MHz_JDX.jdx]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Taxol 400/600 MHz in DMSOd6 NMR data[Taxol_2960ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
-
[(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 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- (-)-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-3-gallate; LC-ESI-QTOF; MS2
- (-)-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 gallate; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- (-)-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_qHNMR_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_HSQC_400MHz_JDX.jdx]
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- 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:30 eV; [M-H]-
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Epigallocatechin-3-gallate; LC-ESI-QTOF; MS2
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [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-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-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-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; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- Epigallocatechin gallate; LC-ESI-QTOF; MS
- (-)-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_13CNMR_400MHz_Jeol.jdf]
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data[Epigallocatechin-3-O-gallate_3140ug200uL_DMSOd6_13CNMR_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_COSY_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 gallate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- (-)-Epigallocatechin gallate; LC-ESI-QTOF; MS2; CE: 10; R=; [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_COSY_400MHz_JDX.jdx]
- (-)-Epigallocatechin gallate; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
-
[4-(sulfanylmethyl)phenyl]methanethiol Molecule
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N Molecular Formula C8H10S2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- thin-layer chromatography (TLC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electron ionisation mass spectrometry (EI-MS)
- 1,4-BIS(MERCAPTOMETHYL)BENZENE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- electron ionisation mass spectrometry (EI-MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
-
azulene Molecule
InChIKey CUFNKYGDVFVPHO-UHFFFAOYSA-N
Related Dataset(s)
-
butyl prop-2-enoate Molecule
InChIKey CQEYYJKEWSMYFG-UHFFFAOYSA-N Molecular Formula C7H12O2
Related Dataset(s)
- butyl acrylate.1d
- 141-32-2[13c-gd.fid.dx]
- butyl acrylate.1d
- butyl acrylate.hsqc
- 141-32-2[cosy.ser.dx]
- 141-32-2[1h.fid.dx]
- butyl acrylate.cosy
- N-BUTYL ACRYLATE; EI-B; MS
- 141-32-2[1h-noesypr.dx]
- 141-32-2[13c.fid.dx]
- BUTYL ACRYLATE; CI-B; MS
- 141-32-2[1Hnoesypr.fid.dx]
- 141-32-2[13c-gd.dx]
- 141-32-2[hsqced.dx]
- 141-32-2[1h.dx]
- BUTYL ACRYLATE; EI-B; MS
- 141-32-2[13c.dx]
- BUTYL ACRYLATE; EI-B; MS
- 141-32-2[cosy.dx]
- 141-32-2[hsqced.ser.dx]
-
diethyl 2-propan-2-ylpropanedioate Molecule
InChIKey BYQFBFWERHXONI-UHFFFAOYSA-N Molecular Formula C10H18O4
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- DIETHYL ISOPROPYLMALONATE; EI-B; MS
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
ethane Molecule
InChIKey OTMSDBZUPAUEDD-UHFFFAOYSA-N
Related Dataset(s)
- SI_Outreach_5_2A_lemon_meat_05312024[1]
- 4-2A_Figure_2D_lime_crude_05292024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[3]
- Outreach_std_linoleic_acid_05312024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[3]
- Outreach_4_2F_column_lime_05312024_300[3]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[5]
- 1-3A_Figure_3A_green_tea_crude_05292024[1]
- SI_Outreach_4_2K_column_lime_05_30_2024[1]
- Outreach_4_2F_column_lime_05312024_300[2]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[15]
- 2-3A_Figure_3B_blueberry_crude_d6_DMSO_05302024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[17]
- 1-1A_Figure_1A_coffee_crude_05292024[2]
- SI_Outreach_3_1A_red_cabbage_extract_05_30_2024[1]
- 1-2A_Figure_2A_black_tea_crude_05292024[1]
- SI_Outreach_4_2G_column_lime_05302024[1]
- SI_Outreach_3_1A_red_cabbage_extract_AcOH_05_30_2024[1]
- 3-1A_Figure_1C_red_cabbage_crude_CDCl3_05302024[1]
- Outreach_4_2K_column_lime_05_30_2024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[1]
- SI_Outreach_5_3A_lime_meat_05312024[1]
- Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- SI_Outreach_4_2C_column_lime_05302024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[4]
- SI_Outreach_4_2L_colum_lime_05302024[1]
- 2-1A_Figure_1B_spinach_crude_05292024[1]
- 3-3A_Figure_3C_carrots_crude_05292024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[2]
- 4-2A_Figure_2D_lime_crude_05292024[7]
- 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]
- 4-2A_Figure_2D_lime_crude_05292024[6]
- 3-1A_Figure_1C_red_cabbage_crude_d6_DMSO_05302024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[18]
- 1-1A_Figure_1A_coffee_crude_05292024[1]
- SI_Outreach_4_2E_column_lime_05302024[1]
- 2-3A_Figure_3B_blueberries_crude_CDCl3_05302024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[6]
- 1-1A_Figure_1A_coffee_crude_05292024[3]
- ETHANE; EI-B; MS
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[16]
- 3-2A_Figure_2C_tomato_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[21]
- SI_Outreach_4_2J_colum_lime_05302024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[19]
- SI_Outreach_4_2F_D_2nd_column_lime_05312024[1]
- Outreach_4_2F_column_lime_05312024_300[1]
- SI_Outreach_4_2B_column_lime_05302024[1]
- 4-3A_Figure_3D_orange_crude_05292024[1]
-
ethyl (E)-but-2-enoate Molecule
InChIKey ZFDIRQKJPRINOQ-HWKANZROSA-N Molecular Formula C6H10O2
Related Dataset(s)
- Propyl ethoxy ethyl Des Br[3]
- Jena_623-70-1_light[3]
- Propyl ethoxy ethyl Des Br[4]
- Jena_623-70-1_light[2]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Jena_623-70-1_light[6]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- ETHYL CROTONATE; EI-B; MS
- Jena_623-70-1_light[1]
- Jena_623-70-1_light[5]
- ETHYL CROTONATE; EI-B; MS
- Jena_623-70-1_light[4]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Propyl ethoxy ethyl Des Br[2]
- CROTONIC ACID ETHYL ESTER; CI-B; MS
- Propyl ethoxy ethyl Des Br[5]
- Propyl ethoxy ethyl Des Br[1]
- Propyl ethoxy ethyl Des Br[6]
-
ethylbenzene Molecule
InChIKey YNQLUTRBYVCPMQ-UHFFFAOYSA-N Molecular Formula C8H10
Related Dataset(s)
-
hexadecanoic acid Molecule
InChIKey IPCSVZSSVZVIGE-UHFFFAOYSA-N Molecular Formula C16H32O2
Related Dataset(s)
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- Palmitic acid (NMR); LC-ESI-QTOF; MS
- Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Palmitic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Palmitic acid (NMR); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117
- Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:73
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- PALMITIC ACID; EI-B; MS
- Palmitic acid; LC-ESI-IT; MS2; m/z: 255.3; [M-H]-
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_1HNMR_400MHz_Jeol.jdf]
- Palmitic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_1HNMR_400MHz_JDX.jdx]
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Palmitic acid (NMR); LC-ESI-QTOF; MS
- Palmitic acid 400 MHz in CDCl3 NMR data[PalmiticAcid_2990ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
-
methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Molecule
InChIKey ZPUCINDJVBIVPJ-UHFFFAOYSA-N Molecular Formula C17H21NO4
Related Dataset(s)
- 50-36-2[13c-apt.dx]
- Cocaine; LC-ESI-QTOF; MS2; 90 V
- Cocaine; LC-ESI-QTOF; MS2; 130 V
- Cocaine.noesy
- Cocaine[2]
- Cocaine; LC-ESI-QTOF; MS2; 100 V
- Cocaine; LC-ESI-QTOF; MS2; 80 V
- Cocaine; LC-ESI-QTOF; MS2; 10 V
- 50-36-2[1h.dx]
- Cocaine; LC-ESI-QTOF; MS2; 120 V
- Cocaine; LC-ESI-QTOF; MS2; 140 V
- 50-36-2.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- Cocaine; LC-ESI-QTOF; MS2; 110 V
- 50-36-2[13c-apt.fid.dx]
- Cocaine; LC-ESI-QTOF; MS2; 50 V
- Cocaine.hsqc
- Cocaine.hmbc
- Cocaine; LC-ESI-QTOF; MS2; 70 V
- Cocaine; LC-ESI-QTOF; MS2; 20 V
- Cocaine[5]
- 50-36-2.noesy
- Cocaine[1]
- Cocaine[3]
- 50-36-2.proton
- Cocaine.aptjmod
- 50-36-2.cosy
- Cocaine; LC-ESI-QTOF; MS2; 40 V
- 50-36-2.hsqc
- Cocaine; LC-ESI-QTOF; MS2; 60 V
- Cocaine; LC-ESI-QTOF; MS2; 150 V
- Cocaine; LC-ESI-QTOF; MS2; 30 V
- Cocaine.1d
- Cocaine[6]
- Cocaine.cosy
- Cocaine[4]
-
pyridine-3-carboxylic acid Molecule
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N Molecular Formula C6H5NO2
Related Dataset(s)
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- Nicotinic acid, 59-67-6[1]
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3, pyridine-3-carboxylic acid; LC-ESI-QTOF; MS2
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:136
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Nicotinic acid, 59-67-6[2]
- Nicotinic acid, 59-67-6[3]
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:136
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3, pyridine-3-carboxylic acid; LC-ESI-QTOF; MS2
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:78
- Nicotinic acid; GC-EI-TOF; MS; n TMS; RT:443.793 sec
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Nicotinic acid, 59-67-6[5]
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Nicotinic acid, 59-67-6[4]
- Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- NICOTINIC ACID; EI-B; MS
- Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Nicotinic acid, 59-67-6[6]
- Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
