-
(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)
- Sucrose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.1d
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:73
- nmrxiv-pt-succrose.c13
- Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.
- nmrxiv-pt-succrose.c13
- nmrxiv-pt-succrose.c13
- Sucrose; GC-EI-TOF; MS; n TMS; RT:977.543 sec
-
(2R,3R,4S,5S,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-SXUWKVJYSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(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)
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data.hsqc
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- (+)-Catechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Cianidanol; LC-ESI-QQ; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin annotated NMR 400 MHz DMSOd6 data.1d
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
- Catechin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Cianidanol; LC-ESI-QQ; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Catechin(+); LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Catechin annotated NMR 400 MHz DMSOd6 data.cosy
- Catechin annotated NMR 400 MHz DMSOd6 data.2d
- Catechin annotated NMR 400 MHz DMSOd6 data.
- Catechin(+); LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QQ; MS2
- Cianidanol; LC-ESI-QQ; MS2
- Catechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2
- Catechin; LC-ESI-QTOF; MS
- Catechin; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Catechin; LC-ESI-QTOF; MS2
- Catechin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Catechin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Catechin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Cianidanol; LC-ESI-QTOF; MS2
- Catechin(+); LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Catechin annotated NMR 400 MHz DMSOd6 data.hmbc
- Catechin; LC-ESI-QTOF; MS2
- 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; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
-
(2R,3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-FPRJBGLDSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(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)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- 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-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- L-Serine; LC-ESI-ITFT; MS; POS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
-
(2S)-2-aminopropanamide Molecule
InChIKey HQMLIDZJXVVKCW-REOHCLBHSA-N Molecular Formula C3H8N2O
Related Dataset(s)
-
(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; MS2; Frag=135.0V CID@25.0; [M+H]+
- YAC_1K (Compound 8) Glabranin[14]
- Glabranin; LC-ESI-QQQ; MS; [M+H]+
- YAC_1K (Compound 8) Glabranin[15]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.1d
- YAC_1K (Compound 8) Glabranin[99999]
- YAC_1K (Compound 8) Glabranin[17]
- YAC_1K (Compound 8) Glabranin[16]
- YAC_1K (Compound 8) Glabranin[13]
- Glabranin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- YAC_1K (Compound 8) Glabranin.c13
-
(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)
-
(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)
-
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol Molecule
InChIKey CHAHFVCHPSPXOE-CBQIKETKSA-N Molecular Formula C8H16O5S
Related Dataset(s)
-
(2S,3R,5S,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,1... Molecule
InChIKey UHJOUKYFWVJRED-FOHMNMEQSA-N Molecular Formula C21H34O4
Related Dataset(s)
-
(2S,3R,5S,9S,10S,13S,14S,17S)-10,13-dimethyl-17-phenylmethoxy-2,3,4,5,6,7,8,9... Molecule
InChIKey YPHUNBCVIAQKHO-NAGWFJTDSA-N Molecular Formula C26H38O3
Related Dataset(s)
-
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14... Molecule
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N Molecular Formula C42H62O16
Related Dataset(s)
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
-
(2S,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-PPMYXAGCSA-N Molecular Formula C19H30O3
Related Dataset(s)
-
(2S,3aR,4S,7aS)-4-acetyl-1-phenylmethoxycarbonyl-2,3,3a,4,5,7a-hexahydroindol... Molecule
InChIKey DJNCWBBLHOXSEL-NCOADZHNSA-N Molecular Formula C19H21NO5
Related Dataset(s)
