-
(2-oxo-1H-quinolin-4-yl) benzoate Molecule
InChIKey OLBOUCJZXKDPSO-UHFFFAOYSA-N Molecular Formula C16H11NO3
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electrospray ionisation mass spectrometry (ESMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
(2-oxochromen-4-yl) benzoate Molecule
InChIKey XJVHOURXXNKDMD-UHFFFAOYSA-N Molecular Formula C16H10O4
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electrospray ionisation mass spectrometry (ESMS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- infrared absorption spectroscopy (IR)
-
(2-phenylphenyl) formate Molecule
InChIKey HSLGAJRGTJJZAS-UHFFFAOYSA-N Molecular Formula C13H10O2
Related Dataset(s)
-
(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one Molecule
InChIKey COHYTHOBJLSHDF-BUHFOSPRSA-N Molecular Formula C16H10N2O2
Related Dataset(s)
-
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,3,3-trimethyl-5-[(E)-3,3,4,4,5,5,6,6,6-n... Molecule
InChIKey WNUUONRSJXPAFK-RRCQUFFISA-M Molecular Formula C44H38Cl2F18N2
Related Dataset(s)
-
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,3,3-trimethyl-5-[(E)-3,3,4,4,5,5,6,6,7,7... Molecule
InChIKey HUXFCVSRCOCRDY-RRCQUFFISA-M Molecular Formula C50H38Cl2F30N2
Related Dataset(s)
-
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3,3-dimethyl-1-(3-methylbutyl)indol-1-ium-... Molecule
InChIKey ILXNAEHMTRQPBH-UHFFFAOYSA-M Molecular Formula C40H52ClIN2
Related Dataset(s)
-
(2E)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofu... Molecule
InChIKey NPEJMOVQLRGCQW-HCTXVGCHSA-N
Related Dataset(s)
-
(2E)-2-hydroxyimino-N-(4-methoxy-3-methylphenyl)acetamide Molecule
InChIKey YKZBEIJTRNBOFF-IZZDOVSWSA-N Molecular Formula C10H12N2O3
Related Dataset(s)
-
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Molecule
InChIKey MXXWOMGUGJBKIW-YPCIICBESA-N Molecular Formula C17H19NO3
Related Dataset(s)
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine.hsqc
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine.hmbc
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine.proton
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Piperine.cosy
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine.noesy
-
(2E,4E)-hexa-2,4-dienoic acid Molecule
InChIKey WSWCOQWTEOXDQX-MQQKCMAXSA-N Molecular Formula C6H8O2
Related Dataset(s)
-
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexe... Molecule
InChIKey VYIRVAXUEZSDNC-NXPVNTPISA-N Molecular Formula C40H56O3
Related Dataset(s)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid Molecule
InChIKey LRBARFFNYOKIAX-HXUWFJFHSA-N Molecular Formula C23H23NO6
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hex... Molecule
InChIKey OJBNDXHENJDCBA-JOCHJYFZSA-N Molecular Formula C25H28N2O6
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Molecule
InChIKey VCFCFPNRQDANPN-LJQANCHMSA-N Molecular Formula C21H23NO4
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5... Molecule
InChIKey XUCIJNAGGSZNQT-JHSLDZJXSA-N Molecular Formula C20H27NO11
Related Dataset(s)
- Classics_Amygdalin[7]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[8]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[6]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[5]
- Classics_Amygdalin[1]
- Classics_Amygdalin[4]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-ITTOF; MS; [M+NH3+H]+
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[2]
- Classics_Amygdalin[3]
-
(2R)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-... Molecule
InChIKey ZPSRBXWVBNVFTO-RUZDIDTESA-N Molecular Formula C31H36N2O6
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Molecule
InChIKey PFTAWBLQPZVEMU-UKRRQHHQSA-N Molecular Formula C15H14O6
Related Dataset(s)
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; GC-EI-TOF; MS; n TMS; RT:1045.275 sec
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hsqc
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Epicatechin; LC-ESI-QQ; MS2
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_Jeol.jdf]
- Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- (-)-Epicatechin; LC-ESI-QQ; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
-
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol Molecule
InChIKey BPHPUYQFMNQIOC-NXRLNHOXSA-N Molecular Formula C9H18O5S
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol Molecule
InChIKey BJRNKVDFDLYUGJ-DGORSVRFSA-N Molecular Formula C12H16O7
Related Dataset(s)
