-
2-methyl-6-(6-methylpyridin-2-yl)pyridine Molecule
InChIKey OHJPGUSXUGHOGE-UHFFFAOYSA-N Molecular Formula C12H12N2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
2-methylbenzaldehyde Molecule
InChIKey BTFQKIATRPGRBS-UHFFFAOYSA-N Molecular Formula C8H8O
Related Dataset(s)
- ORTHO TOLUALDEHYDE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 20; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- O-METHYLBENZALDEHYDE; EI-B; MS
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 40; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
2-methylpyridine Molecule
InChIKey BSKHPKMHTQYZBB-UHFFFAOYSA-N Molecular Formula C6H7N
Related Dataset(s)
- ALPHA-PICOLINE; EI-B; MS
- 2-METHYLPYRIDINE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 2-PICOLINE; EI-B; MS
-
2-nitroaniline Molecule
InChIKey DPJCXCZTLWNFOH-UHFFFAOYSA-N
Related Dataset(s)
- 2-NITRO-ANILINE[6]
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- 2-NITRO-ANILINE[6_2]
- 2-NITRO-ANILINE[1]
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- 2-Nitroaniline; ESI-QTOF; MS2; CE: 20; [M-H]-
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- 2-Nitroaniline; ESI-QTOF; MS2; CE: 40; [M-H]-
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- ORTHO NITRO ANILINE; EI-B; MS
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- 2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- 2-Nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-
- 2-NITRO-ANILINE[1_2]
-
2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine Molecule
InChIKey JRNFAEHFFKHQIZ-UHFFFAOYSA-N Molecular Formula C14H9F3N2
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
2-phenylimidazo[1,2-a]pyridine Molecule
InChIKey KDHWCFCNNGUJCP-UHFFFAOYSA-N Molecular Formula C13H10N2
Related Dataset(s)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hexahydrate Molecule
InChIKey WHELTKFSBJNBMQ-UHFFFAOYSA-L Molecular Formula C30H36Cl2N6O6Ru
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
21-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03... Molecule
InChIKey OFLJOIFZMITSOL-UHFFFAOYSA-N Molecular Formula C23H22O7
Related Dataset(s)
- YAC_3M (Compound 15) 6-Hydroxyrotenone[16]
- YAC_3M (Compound 15) 6-Hydroxyrotenone.hmbc
- YAC_3M (Compound 15) 6-Hydroxyrotenone.1d
- YAC_3M (Compound 15) 6-Hydroxyrotenone[99999]
- YAC_3M (Compound 15) 6-Hydroxyrotenone[15]
- YAC_3M (Compound 15) 6-Hydroxyrotenone.c13
- YAC_3M (Compound 15) 6-Hydroxyrotenone[14]
- YAC_3M (Compound 15) 6-Hydroxyrotenone.cosy
-
3,4,5-trihydroxybenzoic acid Molecule
InChIKey LNTHITQWFMADLM-UHFFFAOYSA-N Molecular Formula C7H6O5
Related Dataset(s)
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.1d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.cosy
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.1d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.hsqc
- 3,4,5-TRIHYDROXYBENZOIC ACID; EI-B; MS
- Gallic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Gallic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.hmbc
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; GC-EI-TOF; MS; n TMS; RT:749.744 sec
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QQ; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
-
3,4-difluorobenzaldehyde Molecule
InChIKey JPHKMYXKNKLNDF-UHFFFAOYSA-N Molecular Formula C7H4F2O
Related Dataset(s)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
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)
-
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one Molecule
InChIKey IYRMWMYZSQPJKC-UHFFFAOYSA-N Molecular Formula C15H10O6
Related Dataset(s)
- Kaempferol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Kaempferol; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Keampferol; ESI-TOF; MS2; CE:15 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS; NEGATIVE
- Kaempferol; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Kaempferol; LC-ESI-ITTOF; MS; [M-H]-
- Kaempferol; LC-ESI-QQ; MS2
- Kaempferol; GC-EI-TOF; MS; n TMS; RT:1106.633 sec
- Kaempferol; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data.
- Kaempferol; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Kaempferol; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M-H]-
- Kaempferol; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Indigo yellow, Popuinetin, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Kaempferol; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Kaempferol; LC-ESI-QQ; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS
- Kaempferol; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Kaempferol annotated NMR 400 MHz DMSOd6 data.cosy
- Kaempferol; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Kaempferol annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Kaempferol; LC-APCI-QTOF; MS; POSITIVE
- Kaempferol; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Kaempferol; LC-APCI-QTOF; MS; NEGATIVE
- Kaempferol; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Kaempferol; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Keampferol; ESI-TOF; MS2; CE:15 eV; [M+H]+
- Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- Kaempferol; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2
- kaempferol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QQ; MS2; CE:40 eV; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data.hsqc
- Kaempferol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- 4',5,7-TRIHYDROXYFLAVONOL; EI-B; MS
- Kaempferol; LC-ESI-QTOF; MS
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data.1d
- Kaempferol annotated NMR 400 MHz DMSOd6 data.
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Kaempferol; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Kaempferol; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Kaempferol; LC-ESI-QTOF; MS2
- Indigo yellow, Popuinetin, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M-H]-
- Kaempferol; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Flavonol base + 3O; LC-ESI-QTOF; MS2
- Kaempferol; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Kaempferol; LC-ESI-QTOF; MS; POSITIVE
- Kaempferol; LC-ESI-QTOF; MS2
- Kaempferol annotated NMR 400 MHz DMSOd6 data.2d
- Kaempferol annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Kaempferol; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
-
3,6-bis(9,9-dimethylacridin-10-yl)phenanthrene-9,10-dione Molecule
InChIKey KFWFIYQIOKSGQL-UHFFFAOYSA-N Molecular Formula C44H34N2O2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
3,6-ditert-butyl-9H-carbazole-1,8-dicarbaldehyde Molecule
InChIKey QFCORKHZKILASC-UHFFFAOYSA-N Molecular Formula C22H25NO2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
-
3,7-dibromo-10-naphthalen-1-ylphenoxazine Molecule
InChIKey DZYNHFYPLMTCCT-UHFFFAOYSA-N Molecular Formula C22H13Br2NO
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-UHFFFAOYSA-N Molecular Formula C10H18O
Related Dataset(s)
- Linalool 60/400/900 MHz in CDCl3 NMR data.2d
- Rutin 400 MHz in DMSOd6 NMR data.2d
- Linalool 60/400/900 MHz in CDCl3 NMR data.2d
- Rutin 400 MHz in DMSOd6 NMR data.2d
- Rutin 400 MHz in DMSOd6 NMR data.hmbc
- Linalool 60/400/900 MHz in CDCl3 NMR data.2d
- Rutin 400 MHz in DMSOd6 NMR data[Rutin_3080ug200uL_DMSOd6_qHNMR_400MHz_JDX.jdx]
- Rutin 400 MHz in DMSOd6 NMR data[Rutin_3080ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Rutin 400 MHz in DMSOd6 NMR data.
- Linalool 60/400/900 MHz in CDCl3 NMR data.hmbc
- Rutin 400 MHz in DMSOd6 NMR data.2d
- Rutin 400 MHz in DMSOd6 NMR data.1d
- Linalool 60/400/900 MHz in CDCl3 NMR data[Linalool_3289ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- Rutin 400 MHz in DMSOd6 NMR data[Rutin_3080ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Linalool 60/400/900 MHz in CDCl3 NMR data.cosy
- Linalool 60/400/900 MHz in CDCl3 NMR data.
- Linalool 60/400/900 MHz in CDCl3 NMR data.
- Linalool 60/400/900 MHz in CDCl3 NMR data.cosy
- Linalool 60/400/900 MHz in CDCl3 NMR data.1d
- Linalool 60/400/900 MHz in CDCl3 NMR data.hsqc
- LINALOOL; EI-B; MS
- LINALOOL; EI-B; MS
- Linalool 60/400/900 MHz in CDCl3 NMR data.1d
- Linalool 60/400/900 MHz in CDCl3 NMR data[Linalool_100000ug200uL_CDCl3_1HNMR_900MHz_JDX.jdx]
- Rutin 400 MHz in DMSOd6 NMR data.1d
-
3,9-bis[(4-buta-2,3-dienoxyphenyl)methyl]-1,7-dimethyl-6,12-bis(2-methylpropy... Molecule
InChIKey QWMKZQLCKVCIIN-UHFFFAOYSA-N Molecular Formula C40H52N4O6
Related Dataset(s)
-
3-(1-methylpyrrolidin-2-yl)pyridine Molecule
InChIKey SNICXCGAKADSCV-UHFFFAOYSA-N Molecular Formula C10H14N2
Related Dataset(s)
- Nicotine.apt
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine.hmbc
- Nicotine.c13
- Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [M+H]+
- Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [M+H]+
- Nicotine (not validated); LC-ESI-QTOF; MS2
- 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QTOF; MS2
- Nicotine.c13
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; CI-B; MS
- Nicotine.cosy
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; EI-B; MS
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
- Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
- Nicotine.noesy
- Nicotine.hsqc
- Nicotine.hsqc
- beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2
-
3-(2-bromophenyl)-3-chlorodiazirine Molecule
InChIKey ZDAXVNIURHFTEV-UHFFFAOYSA-N Molecular Formula C7H4BrClN2
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
