-
(Z)-octadec-9-enoic acid Molecule
InChIKey ZQPPMHVWECSIRJ-KTKRTIGZSA-N Molecular Formula C18H34O2
Related Dataset(s)
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Oleic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_1HNMR_400MHz_Jeol.jdf]
- Oleic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- SI_Outreach_std_REAL_oleic_acid_05312024[1]
- Oleic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Oleic acid; FAB-EBEB; MS2; m/z: 281.25; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS
- Oleic acid; GC-EI-TOF; MS; 1 TMS; BP:73
- Oleic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- OLEIC ACID; EI-B; MS
- Oleic acid; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Oleic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_1HNMR_400MHz_JDX.jdx]
- Oleic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Outreach_std_oleic_acid_05312024[2]
- Oleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Oleic acid 400 MHz in CDCl3 NMR data[OleicAcid_2820ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- Oleic acid 400 MHz in CDCl3 NMR data.cosy
- Oleic acid; LC-ESI-IT; MS2; m/z: 281.3; [M-H]-
-
1,1,4a-trimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexa... Molecule
InChIKey QSFSRHYSSAIFJK-UHFFFAOYSA-N Molecular Formula C20H32O
Related Dataset(s)
-
1,1,4a-trimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexa... Molecule
InChIKey DJHJAXUNPSDCLR-UHFFFAOYSA-N Molecular Formula C20H30O
Related Dataset(s)
-
1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Molecule
InChIKey ISHVJVXYPLFKAL-UHFFFAOYSA-N Molecular Formula C20H28O
Related Dataset(s)
- VS-20220603-Diterpen3[13]
- VS-20220531-Diterpen3[11]
- VS-20220520-Diterpen 3[10]
- VS-20220531-Diterpen3[13]
- VS-20220520-Diterpen 3[15]
- VS-20220520-Diterpen 3.c13
- VS-20220520-Diterpen 3.hsqc
- VS-20220531-Diterpen3[14]
- VS-20220520-Diterpen 3.cosy
- VS-20220520-Diterpen 3.hmbc
- VS-20220531-Diterpen3[12]
- VS-20220531-Diterpen3[10]
- VS-20220603-Diterpen3[10]
-
1,3,3-trimethyl-2-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptan-2-ol Molecule
InChIKey CENJQGOZXURFGD-UHFFFAOYSA-N Molecular Formula C13H19NOS
Related Dataset(s)
- 1047626-52-7[cosy.dx]
- 1047626-52-7[dept135.fid.dx]
- 1047626-52-7[1d-noe-1-065.dx]
- 1047626-52-7[13c.fid.dx]
- 1047626-52-7[1d-noe-1-065.fid.dx]
- 1047626-52-7[cosy.ser.dx]
- 1047626-52-7[1h.fid.dx]
- 1047626-52-7[1h.dx]
- 1047626-52-7[hmbc.ser.dx]
- 1047626-52-7[1d-noe-0-97.fid.dx]
- 1047626-52-7[hmqc.ser.dx]
- 1047626-52-7[hmbc.dx]
- 1047626-52-7[1d-noe-0-73.fid.dx]
- 1047626-52-7[13c.dx]
- 1047626-52-7[1d-noe-0-97.dx]
- 1047626-52-7[hmqc.dx]
- 1047626-52-7[1d-noe-0-73.dx]
- 1047626-52-7[dept135.dx]
-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane Molecule
InChIKey WEEGYLXZBRQIMU-UHFFFAOYSA-N Molecular Formula C10H18O
Related Dataset(s)
- Eucalyptol.hsqc
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- Eucalyptol[6]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .
- Eucalyptol.aptjmod
- Eucalyptol.1d
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Eucalyptol.cosy
- Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Eucalyptol 400 MHz in CDCl3 NMR data .2d
- Eucalyptol.noesy
- Eucalyptol 400 MHz in CDCl3 NMR data .1d
- Eucalyptol.hmbc
-
1,3,7-trimethylpurine-2,6-dione Molecule
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N Molecular Formula C8H10N4O2
Related Dataset(s)
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Caffeine; GC-EI-TOF; MS; n TMS; RT:724.344 sec
- Caffeine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Caffeine; LC-ESI-QTOF; MS2; 10 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Caffeine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 70 V
- Caffeine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-Q; MS; POS; 90 V
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[13]
- Classics_Caffeine[1]
- Caffeine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Caffeine; GC-EI-TOF; MS; BP:194
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 120 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 100 V
- Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[12]
- Caffeine; LC-ESI-QTOF; MS2; 50 V
- Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 150 V
- Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- caffeine.c13
- Classics_Caffeine[2]
- Caffeine; LC-ESI-QTOF; MS2; 130 V
- Caffeine; LC-ESI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Caffeine; LC-ESI-QTOF; MS2; 20 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QTOF; MS2; 140 V
- Caffeine; LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024_500[1]
- Caffeine; LC-ESI-QTOF; MS2; 60 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
- Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Classics_Caffeine.hmqc
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- 1,3,7-TRIMETHYLXANTHINE; EI-B; MS
- Caffeine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Caffeine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Caffeine; LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 90 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 110 V
- Caffeine; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Classics_Caffeine.hmbc
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; CI-B; MS
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- caffeine.hsqc
- caffeine.proton
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[9]
- Classics_Caffeine.noesy
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Caffeine; LC-ESI-QTOF; MS2; 30 V
- Caffeine; LC-ESI-Q; MS; POS; 75 V
- Caffeine; LC-ESI-QTOF; MS2; 80 V
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- Caffeine; LC-APCI-QTOF; MS; POSITIVE
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[14]
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Classics_Caffeine[4]
- Caffeine; LC-ESI-Q; MS; POS; 60 V
- caffeine.noesy
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- CAFFEINE; CI-B; MS
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- caffeine.hmbc
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 45 V
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[11]
-
1,5,8-trimethylazuleno[6,5-b]furan Molecule
InChIKey LMVGRKPOXLBIFQ-UHFFFAOYSA-N Molecular Formula C15H14O
Related Dataset(s)
- NMR_Bruker-FID[13]
- gas chromatography-mass spectrometry (GCMS)
- NMR_Bruker-FID[17]
- Fourier transform infrared spectroscopy (FTIR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Bruker-FID[12]
- NMR_Bruker-FID[15]
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
- NMR_Bruker-FID[14]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Bruker-FID[11]
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- NMR_Bruker-FID[16]
-
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one Molecule
InChIKey DXDRHHKMWQZJHT-UHFFFAOYSA-N Molecular Formula C15H12O4
Related Dataset(s)
- 2',4,4'-Trihydroxychalcone; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[11]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[13]
- 2',4,4'-Trihydroxychalcone; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[99999]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[16]
- YAC_3P (Compound 19) Isoliquiritigenin[15]
- YAC_3P (Compound 19) Isoliquiritigenin[14]
- YAC_3P (Compound 19) Isoliquiritigenin[12]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[17]
-
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide Molecule
InChIKey JGTSOWOPISVAHG-UHFFFAOYSA-N
Related Dataset(s)
-
1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide Molecule
InChIKey ZJCYQNSYQBCKOD-UHFFFAOYSA-N
Related Dataset(s)
-
1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide Molecule
InChIKey DJKVOBZLMBHFKX-UHFFFAOYSA-N
Related Dataset(s)
-
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid Molecule
InChIKey MHWLWQUZZRMNGJ-UHFFFAOYSA-N Molecular Formula C12H12N2O3
Related Dataset(s)
- Nalidixic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Nalidixic acid, 389-08-2[1]
- Nalidixic acid, 389-08-2[5]
- Nalidixic acid, 389-08-2[6]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
- Nalidixic acid, 389-08-2[3]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS2; m/z: 233; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Nalidixic acid, 389-08-2.cosy
- Nalidixic acid, 389-08-2[2]
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
1-methoxy-4-prop-2-enylbenzene Molecule
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- 140-67-0[hmbc.dx]
- 140-67-0[hsqc.ser.dx]
- 140-67-0.dept135
- 140-67-0[dept135.dx]
- 140-67-0[13c.dx]
- 140-67-0[1h.dx]
- Classics_Estragole[2]
- 4-ALLYLANISOLE; EI-B; MS
- Classics_Estragole[6]
- Classics_Estragole.noesy
- 140-67-0[13c.fid.dx]
- 140-67-0[hmbc.ser.dx]
- 140-67-0.hsqc
- Classics_Estragole[3]
- 140-67-0[cosy.dx]
- Classics_Estragole[5]
- P-ALLYL ANISOLE; EI-B; MS
- 4-ALLYLANISOLE; EI-B; MS
- 140-67-0[1h.fid.dx]
- Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+
- 140-67-0[cosy.ser.dx]
- Classics_Estragole[1]
- Estragole; ESI-QTOF; MS2; CE: 10; [M+H]+
-
1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- 1-METHYL-4-ISOPROPENYLCYCLOHEXENE; EI-B; MS
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_qHNMR_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
-
1-methyl-4-propan-2-ylbenzene Molecule
InChIKey HFPZCAJZSCWRBC-UHFFFAOYSA-N Molecular Formula C10H14
Related Dataset(s)
- p-Cymene 400 MHz in CDCl3 NMR data.hsqc
- PARA-CYMENE; EI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- p-Cymene 400 MHz in CDCl3 NMR data.2d
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_13CNMR_400MHz_JDX.jdx]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- 4-METHYL-1-ISOPROPYLBENZENE; CI-B; MS
- p-Cymene 400 MHz in CDCl3 NMR data.cosy
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_qHNMR_400MHz_JDX.jdx]
- p-Cymene 400 MHz in CDCl3 NMR data[ParaCymene_8140ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- P-CYMENE; EI-B; MS
- 1-ISOPROPYL-4-METHYLBENZENE; EI-B; MS
-
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henico... Molecule
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N Molecular Formula C20H18NO4+
Related Dataset(s)
- Berberine; LC-ESI-QTOF; MS2; CE:30 eV; [M]+
- Berberine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Berberine; LC-ESI-ITFT; MS2; CE 45 eV; [M]+
- Berberine; LC-ESI-QTOF; MS2; CE:20 eV; [M]+
- Berberine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Berberine annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Berberine annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- Berberine annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Berberine; LC-ESI-QQ; MS2; CE:30 eV; M+
- Berberine annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Berberine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Berberine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Berberine; LC-ESI-ITFT; MS; [M]+; isotope pattern
- Berberine annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Berberine; LC-ESI-QQQ; MS; [M+H]+
- Berberine; LC-ESI-ITTOF; MS; [M]+
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Berberine; LC-ESI-IT; MS3; m/z: 336/321; [M+H]+
- Berberine; LC-ESI-ITFT; MS2; CE 35 eV; [M]+
- Berberine; LC-ESI-ITTOF; MS; [M]+
- Berberine; LC-ESI-IT; MS2; m/z: 336; [M+H]+
- Berberine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Berberine; LC-ESI-QQ; MS2; CE:35 eV; M+
- Berberine annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Berberine; LC-ESI-QTOF; MS2; CE:10 eV; [M]+
- Berberine; LC-ESI-QTOF; MS2; CE:15 eV; [M]+
- Berberine; LC-ESI-IT; MS3; m/z: 336/292; [M+H]+
- Berberine annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Berberine annotated NMR 400 MHz DMSOd6 data[simulated_1H.jdx]
-
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8)... Molecule
InChIKey LZMRDTLRSDRUSU-UHFFFAOYSA-N Molecular Formula C17H14O6
Related Dataset(s)
-
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenant... Molecule
InChIKey UACIBCPNAKBWHX-UHFFFAOYSA-N Molecular Formula C17H28
Related Dataset(s)
- Classics_Capsanthin_DB.apt
- Classics_Galanthamine[1]
- Classics_Galanthamine[2]
- Classics_a-Glucoseamine[4]
- Classics_Hesperidin[3]
- Classics_Chamazulene_DB.proton
- Classics_a-Glucoseamine.proton
- Classics_b-Glucoseamine[6]
- Classics_Brazilein[4]
- Classics_Cnicin[5]
- Classics_Brazilein[2]
- Classics_b-Glucoseamine[1]
- Classics_Cnicin[2]
- Classics_Galanthamine[3]
- Classics_Brazilein[1]
- Classics_Indigo.hsqc
- Classics_Indigo.1d
- Classics_Hesperidin[1]
- Classics_Chamazulene_DB[2]
- Classics_a-Glucoseamine[5]
- Classics_Hesperidin[2]
- Classics_b-Glucoseamine[3]
- Classics_Indigo[1]
- Classics_Indigo.cosy
- Classics_Cnicin[4]
- Classics_a-Glucoseamine[8]
- Classics_Hesperidin[6]
- Classics_Brazilein[3]
- Classics_Cnicin[1]
- Classics_Hesperidin[5]
- Classics_Galanthamine[5]
- Classics_Galanthamine[6]
- Classics_Chamazulene_DB[4]
- Classics_Brazilein[5]
- Classics_Chamazulene_DB[3]
- Classics_b-Glucoseamine[7]
- Classics_Indigo.hmbc
- Classics_Capsanthin_DB[1]
- Classics_Cnicin[6]
- Classics_Capsanthin_DB[5]
- Classics_Brazilein[6]
- Classics_Chamazulene_DB[7]
- Classics_b-Glucoseamine[2]
- Classics_Hesperidin.noesy
- Classics_Indigo.noesy
- Classics_a-Glucoseamine[6]
- Classics_Chamazulene_DB[6]
- Classics_Capsanthin_DB.hmbc
- Classics_b-Glucoseamine[5]
- Classics_Galanthamine[4]
- Classics_Cnicin[3]
- Classics_Capsanthin_DB[3]
- Classics_b-Glucoseamine[4]
- Classics_a-Glucoseamine.apt
- Classics_Chamazulene_DB[5]
- Classics_a-Glucoseamine.cosy
- Classics_Capsanthin_DB[2]
