-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 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-QQ; MS2; CE:40 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-ITFT; MS; POS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
-
(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[GlycyrrhizinNH4_13C_DEPTQ135.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_13C.jdx]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H_900.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_13C.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_ROESY.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_ 1HqNMR.jdf]
- 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:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY_900.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gHSQC.jdx]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gROESY_phase.jdf]
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdx]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC_900.jdx]
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_HMBC-ABS.jdf]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
-
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex... Molecule
InChIKey DDUHZTYCFQRHIY-RBHXEPJQSA-N Molecular Formula C17H17ClO6
Related Dataset(s)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
-
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate Molecule
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N Molecular Formula C15H21N3O2
Related Dataset(s)
- Eserine[50]
- Eserine[54]
- Eserine[51]
- Eserine[20]
- Eserine.hsqc
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine.1d
- Eserine[59]
- Eserine[12]
- Eserine[11]
- Eserine.dept
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[57]
- Eserine.dept
- Eserine[56]
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Eserine[55]
- Eserine[53]
- Eserine[1057]
-
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,1... Molecule
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N Molecular Formula C29H48O
Related Dataset(s)
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_1H.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[4_Stigmasterol_STIG02_HSQC]
- STIGMASTEROL; EI-B; MS
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
-
1,1-dioxo-1,2-benzothiazol-3-one Molecule
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-N Molecular Formula C7H5NO3S
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- Saccharin; LC-ESI-QTOF; MS2; 80 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
- Saccharin; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 100 V
- heteronuclear single quantum coherence (HSQC)
- Saccharin; LC-ESI-QTOF; MS2; 130 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- Saccharin; LC-ESI-QTOF; MS2; 10 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- correlation spectroscopy (COSY)
- Saccharin; LC-ESI-QTOF; MS2; 50 V
- Saccharin; LC-ESI-QTOF; MS2; 110 V
- SACCHARIN; EI-B; MS
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 140 V
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-QTOF; MS2; 90 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
- Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 20 V
- Saccharin; LC-ESI-QTOF; MS2; 30 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 60 V
- Saccharin; LC-ESI-QTOF; MS2; 150 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 120 V
- Saccharin; LC-ESI-QTOF; MS2; 70 V
-
1,10-phenanthroline Molecule
InChIKey DGEZNRSVGBDHLK-UHFFFAOYSA-N Molecular Formula C12H8N2
Related Dataset(s)
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 20; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- heteronuclear single quantum coherence (HSQC)
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 40; [M+H]+
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- o-Phenanthroline; GC-EI-TOF; MS; BP:180
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 10; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
1,2,4-trihydroxyanthracene-9,10-dione Molecule
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N Molecular Formula C14H8O5
Related Dataset(s)
- correlation spectroscopy (COSY)
- Purpurin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Purpurin; LC-ESI-QQQ; MS; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Purpurin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
-
1,4-dihydroxyanthracene-9,10-dione Molecule
InChIKey GUEIZVNYDFNHJU-UHFFFAOYSA-N Molecular Formula C14H8O4
Related Dataset(s)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 50 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 10; [M-H]-
- correlation spectroscopy (COSY)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 20 V
- heteronuclear single quantum coherence (HSQC)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 60 V
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 10 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 70 V
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 20; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 40; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 80 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 30 V
-
1-(2,6-dihydroxyphenyl)ethanone Molecule
InChIKey YPTJKHVBDCRKNF-UHFFFAOYSA-N Molecular Formula C8H8O3
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- 2',6'-DIHYDROXYACETOPHENONE; EI-B; MS
- correlation spectroscopy (COSY)
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
-
1-(3,4-dichlorophenyl)ethanone Molecule
InChIKey WBPAOUHWPONFEQ-UHFFFAOYSA-N Molecular Formula C8H6Cl2O
Related Dataset(s)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 3',4'-DICHLOROACETOPHENONE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
-
1-(3-bromophenyl)ethanone Molecule
InChIKey JYAQYXOVOHJRCS-UHFFFAOYSA-N Molecular Formula C8H7BrO
Related Dataset(s)
- correlation spectroscopy (COSY)
- 3-BROMOPHENYL METHYL KETONE; EI-B; MS
- M-BROMOACETOPHENONE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- M-BROMOACETOPHENONE; EI-B; MS
- 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'-BROMOACETOPHENONE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
-
1-(4-methoxyphenyl)ethanone Molecule
InChIKey NTPLXRHDUXRPNE-UHFFFAOYSA-N Molecular Formula C9H10O2
Related Dataset(s)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 4-METHOXYACETOPHENONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 4-METHOXYPHENYL METHYL KETONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- P-METHOXYACETOPHENONE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
1-(bromomethyl)-4-nitrobenzene Molecule
InChIKey VOLRSQPSJGXRNJ-UHFFFAOYSA-N
Related Dataset(s)
-
1-aminoanthracene-9,10-dione Molecule
InChIKey KHUFHLFHOQVFGB-UHFFFAOYSA-N Molecular Formula C14H9NO2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- 1-Aminoanthraquinone; LC-APCI-ITFT; MS2; CE:35;
-
1-bromonaphthalene Molecule
InChIKey DLKQHBOKULLWDQ-UHFFFAOYSA-N Molecular Formula C10H7Br
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1-BROMONAPHTHALENE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1-BROMONAPHTHALENE; EI-B; MS
-
1-bromopyrrolidine-2,5-dione Molecule
InChIKey PCLIMKBDDGJMGD-UHFFFAOYSA-N Molecular Formula C4H4BrNO2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- N-BROMOSUCCINIMIDE; EI-B; MS
-
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid Molecule
InChIKey MHWLWQUZZRMNGJ-UHFFFAOYSA-N Molecular Formula C12H12N2O3
Related Dataset(s)
- Nalidixic acid, 389-08-2[3]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nalidixic acid, 389-08-2[1]
- Nalidixic acid, 389-08-2[2]
- Nalidixic acid; LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
- Nalidixic acid, 389-08-2[6]
- Nalidixic acid, 389-08-2[4]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS2; m/z: 233; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nalidixic acid, 389-08-2[5]
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Nalidixic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
-
1-hydroxyanthracene-9,10-dione Molecule
InChIKey BTLXPCBPYBNQNR-UHFFFAOYSA-N Molecular Formula C14H8O3
Related Dataset(s)
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
- 1-Hydroxyanthraquinone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
