-
(1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-BDAKNGLRSA-N
Related Dataset(s)
-
(3R)-3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-JTQLQIEISA-N Molecular Formula C10H18O
Related Dataset(s)
-
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one Molecule
InChIKey ULDHMXUKGWMISQ-SECBINFHSA-N
Related Dataset(s)
- (-)-Carvone[6]
- (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
- (-)-Carvone[1]
- (-)-Carvone[4]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 20; [M+H]+
- (-)-Carvone[3]
- (-)-Carvone[5]
- (-)-Carvone.1d
- (-)-Carvone[2]
- (-)-Carvone[4]
- R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+
- (-)-Carvone[3]
- (-)-Carvone[5]
- (-)-Carvone[6]
- (-)-Carvone[2]
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- Pulegone.aptjmod
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.hsqc
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Pulegone.proton
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID[3]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- NMR_Pulegone_Bruker-FID.1d
- electron ionisation mass spectrometry (EI-MS)
- Pulegone.cosy
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Pulegone_Bruker-FID.hsqc
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.aptjmod
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Pulegone.noesy
-
1,5,8-trimethylazuleno[6,5-b]furan Molecule
InChIKey LMVGRKPOXLBIFQ-UHFFFAOYSA-N Molecular Formula C15H14O
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- gas chromatography-mass spectrometry (GCMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- Fourier transform infrared spectroscopy (FTIR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Bruker-FID.1d
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- NMR_Bruker-FID.hsqc
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
- NMR_Bruker-FID.cosy
- NMR_Bruker-FID.hmbc
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Bruker-FID.cosy
- NMR_Bruker-FID.aptjmod
- NMR_Bruker-FID.1d
-
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_Hesperidin[2]
- Classics_Indigo.hsqc
- Classics_Indigo.hmbc
- Classics_Cnicin[4]
- Classics_b-Glucoseamine[1]
- Classics_Brazilein[3]
- Classics_Hesperidin[3]
- Classics_Galanthamine.apt
- Classics_Capsanthin_DB[2]
- Classics_a-Glucoseamine[5]
- Classics_Brazilein[4]
- Classics_Chamazulene_DB.noesy
- Classics_Cnicin.hsqc
- Classics_Brazilein[6]
- Classics_b-Glucoseamine.hmbc
- Classics_Chamazulene_DB[7]
- Classics_a-Glucoseamine.cosy
- Classics_Galanthamine[4]
- Classics_Cnicin.proton
- Classics_Indigo.noesy
- Classics_a-Glucoseamine[6]
- Classics_Brazilein[5]
- Classics_Indigo[1]
- Classics_Indigo.cosy
- Classics_Hesperidin[6]
- Classics_Brazilein[1]
- Classics_Chamazulene_DB[3]
- Classics_b-Glucoseamine.cosy
- Classics_Galanthamine[3]
- Classics_Capsanthin_DB[3]
- Classics_Cnicin[6]
- Classics_Galanthamine[1]
- Classics_Hesperidin[1]
- Classics_Hesperidin[5]
- Classics_Chamazulene_DB[6]
- Classics_Hesperidin.noesy
- Classics_a-Glucoseamine[4]
- Classics_Indigo.1d
- Classics_b-Glucoseamine[7]
- Classics_Chamazulene_DB.proton
- Classics_b-Glucoseamine[2]
- Classics_Galanthamine.hsqc
- Classics_Capsanthin_DB.hmbc
- Classics_Chamazulene_DB[2]
- Classics_Capsanthin_DB[1]
- Classics_Brazilein[2]
- Classics_a-Glucoseamine.proton
- Classics_Cnicin[3]
- Classics_Capsanthin_DB.apt
- Classics_a-Glucoseamine[8]
- Classics_Capsanthin_DB[5]
- Classics_b-Glucoseamine[4]
- Classics_a-Glucoseamine.apt
- Classics_b-Glucoseamine[5]
- Classics_Galanthamine[6]
- Classics_Chamazulene_DB[5]
- Classics_Cnicin[2]
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid, 77-92-9.cosy
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid, 77-92-9[3]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[7]
- Citric acid, 77-92-9[6]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QQ; MS2
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid, 77-92-9[5]
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid, 77-92-9[1]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid, 77-92-9[4]
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, 2-hydroxypropane-1,2,3-tricarboxylic acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QTOF; MS2
-
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy... Molecule
InChIKey DGQLVPJVXFOQEV-JNVSTXMASA-N Molecular Formula C22H20O13
Related Dataset(s)
- NMR_Bruker-FID[5]
- Carminic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Carminic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- NMR_Bruker-FID[6]
- Carminic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Carminic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[4]
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- circular dichroism spectroscopy (CD spectrometry)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[2]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Carminic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- Carminic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- NMR_Bruker-FID[3]
- NMR_Bruker-FID[1]
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
-
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[40]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[30]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[10]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate.hmqc
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[1]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[5]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[15]
-
nfdi4chem-mol5725 (Unknown Molecule) Molecule
InChIKey MUPFEKGTMRGPLJ-GEPQCSQVSA-N
Related Dataset(s)
