-
(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; EI-B; MS
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; 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-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine.hsqc
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS; [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
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine.hmbc
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Piperine.noesy
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine.proton
- Piperine; LC-ESI-QTOF; MS2
- Piperine.cosy
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
-
(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--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(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 multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Molecule
InChIKey VCFCFPNRQDANPN-LJQANCHMSA-N Molecular Formula C21H23NO4
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H 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)
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[4]
- Classics_Amygdalin[8]
- Classics_Amygdalin[1]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[3]
- Classics_Amygdalin[2]
- 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[7]
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[6]
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Amygdalin; LC-ESI-QTOF; MS2
- Classics_Amygdalin[5]
-
(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--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(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-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Epicatechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (-)-Epicatechin; LC-ESI-QTOF; MS
- Epicatechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- Epicatechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Epicatechin; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-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; LC-ESI-QTOF; MS
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_1H_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- (-)-Epicatechin; GC-EI-TOF; MS; n TMS; RT:1045.275 sec
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data.hsqc
- Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_13C_400MHz_Jeol.jdf]
- Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin 400 MHz in DMSOd6 NMR data[EpiCatechin_2880ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- (-)-Epicatechin; LC-ESI-QQ; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- (-)-Epicatechin; LC-ESI-QTOF; MS2
- (-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- (-)-Epicatechin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
-
(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 nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-... Molecule
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
Related Dataset(s)
- nmrxiv-pt-succrose[1]
- nmrxiv-pt-succrose[14]
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:73
- nmrxiv-pt-succrose[13]
- nmrxiv-pt-succrose[15]
- nmrxiv-pt-succrose[11]
- Sucrose; GC-EI-TOF; MS; n TMS; RT:977.543 sec
- nmrxiv-pt-succrose[16]
- nmrxiv-pt-succrose[19]
- Sucrose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- nmrxiv-pt-succrose[18]
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103
- nmrxiv-pt-succrose[17]
- nmrxiv-pt-succrose[20]
- nmrxiv-pt-succrose[21]
-
(2R,3R,5S,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,1... Molecule
InChIKey UHJOUKYFWVJRED-NCSOOZNJSA-N Molecular Formula C21H34O4
Related Dataset(s)
-
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Molecule
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-N Molecular Formula C15H14O6
Related Dataset(s)
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.hsqc
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.cosy
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Cianidanol; LC-ESI-QQ; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Cianidanol; LC-ESI-QQ; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Catechin annotated NMR 400 MHz DMSOd6 data.2d
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Catechin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Cianidanol; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QQ; MS2
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[simulated_1H.jdx]
- Catechin; LC-ESI-QTOF; MS
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
-
(2R,3S,5S,8R,9S,10S,13S,14S)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,1... Molecule
InChIKey HILNXGBHRIVSOD-GPFHPJNKSA-N Molecular Formula C19H30O3
Related Dataset(s)
-
(2S)-2-(dimethylamino)-N-[(2S,3S,4R)-5-[(5S)-3,3-dimethyl-2,4-dioxo-5-propan-... Molecule
InChIKey ANARGESUVAEGNN-QTVXIADOSA-N
Related Dataset(s)
-
(2S)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacycl... Molecule
InChIKey AMHYNJZGKPXOOP-WGRYGTHWSA-N Molecular Formula C23H36O2
Related Dataset(s)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- fast-atom bombardment mass spectrometry (FABMS)
-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-ITFT; MS; POS
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
-
(2S)-2-aminopropanamide Molecule
InChIKey HQMLIDZJXVVKCW-REOHCLBHSA-N Molecular Formula C3H8N2O
Related Dataset(s)
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(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one Molecule
InChIKey DAWSYIQAGQMLFS-SFHVURJKSA-N
Related Dataset(s)
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[11]
- YAC_1K (Compound 8) Glabranin[14]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[16]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[13]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[12]
- YAC_1K (Compound 8) Glabranin[17]
- YAC_1K (Compound 8) Glabranin[15]
- YAC_1K (Compound 8) Glabranin[99999]
-
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2H-chromene Molecule
InChIKey GTWNOIJIMUFLGQ-IBGZPJMESA-N Molecular Formula C22H24O3
Related Dataset(s)
-
(2S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KYHHOPLUSA-N Molecular Formula C10H20O
Related Dataset(s)
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(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol Molecule
InChIKey QZYDYKUQPIMRSF-ZSAUSMIDSA-N Molecular Formula C15H22O5S
Related Dataset(s)
