-
(1-butylindol-3-yl)-naphthalen-1-ylmethanone Molecule
InChIKey VCHHHSMPMLNVGS-UHFFFAOYSA-N Molecular Formula C23H21NO
Related Dataset(s)
- JWH-073; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+
- JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+Na]+
- JWH-073; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- infrared absorption spectroscopy (IR)
- JWH-073; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
-
(2S)-2-[[2-[[2-[[2-[[2-[[(2R)-2-amino-3-phenylpropanoyl]-[4-[(2-methylpropan-... Molecule
InChIKey NBKXHRCJEFOTBU-QGSYYBFSSA-N Molecular Formula C56H65Cl2N7O9
Related Dataset(s)
-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- 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; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [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; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS; POS
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 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:20 V; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:40 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)
- heteronuclear multiple bond coherence (HMBC)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- Griseofulvin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(3S,6S)-1-(4-aminobutyl)-3,6,13-tribenzyl-10,16-bis[(4-chlorophenyl)methyl]-1... Molecule
InChIKey OSJUMAZEBBEMPZ-GSVOJQHPSA-N Molecular Formula C51H55Cl2N7O6
Related Dataset(s)
-
(4-methoxyphenyl)methanamine Molecule
InChIKey IDPURXSQCKYKIJ-UHFFFAOYSA-N Molecular Formula C8H11NO
Related Dataset(s)
- 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)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 4-METHOXYBENZYLAMINE; EI-B; MS
- 4-METHOXYBENZYLAMINE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine.hmbc
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.noesy
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine.aptjmod
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[4]
- Quinine[5]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine.proton
- Quinine.cosy
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine[6]
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-KODHJQJWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-LHHVKLHASA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinidine; LC-ESI-Q; MS; POS; 60 V
- Quinidine; LC-ESI-Q; MS; POS; 75 V
- Quinidine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinidine; LC-ESI-Q; MS; POS; 45 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinidine; LC-ESI-Q; MS; POS; 90 V
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-QAMTZSDWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonine; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 60 V
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Cinchonine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Cinchonine; LC-ESI-Q; MS; POS; 45 V
- Cinchonine; LC-ESI-Q; MS; POS; 75 V, 90 V
- Cinchonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonine; LC-ESI-QTOF; MS2
-
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-y... Molecule
InChIKey LJOQGZACKSYWCH-LHHVKLHASA-N Molecular Formula C20H26N2O2
Related Dataset(s)
- Hydroquinidine; LC-ESI-Q; MS; POS; 90 V
- Hydroquinidine; LC-ESI-QTOF; MS; POSITIVE
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Hydroquinidine; LC-APCI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 45 V
- Hydroquinidine; LC-ESI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 30 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Hydroquinidine; LC-ESI-Q; MS; POS; 60 V
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroquinidine; LC-APCI-QTOF; MS; POSITIVE
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Hydroquinidine; LC-ESI-Q; MS; POS; 15 V
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 75 V
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
1,1-dioxo-1,2-benzothiazol-3-one Molecule
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-N Molecular Formula C7H5NO3S
Related Dataset(s)
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 20 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
- Saccharin; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 150 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 10 V
- Saccharin; LC-ESI-QTOF; MS2; 130 V
- Saccharin; LC-ESI-QTOF; MS2; 50 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
- correlation spectroscopy (COSY)
- Saccharin; LC-ESI-QTOF; MS2; 70 V
- Saccharin; LC-ESI-QTOF; MS2; 80 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 60 V
- distortionless enhancement with polarization transfer (DEPT)
- SACCHARIN; EI-B; MS
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 30 V
- Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 140 V
- Saccharin; LC-ESI-QTOF; MS2; 90 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- Saccharin; LC-ESI-QTOF; MS2; 100 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- Saccharin; LC-ESI-QTOF; MS2; 110 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- Saccharin; LC-ESI-QTOF; MS2; 120 V
-
1,10-phenanthroline Molecule
InChIKey DGEZNRSVGBDHLK-UHFFFAOYSA-N Molecular Formula C12H8N2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
- correlation spectroscopy (COSY)
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 40; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- 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; BP:180
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 20; [M+H]+
- 1,10-Phenanthroline; ESI-QTOF; MS2; CE: 10; [M+H]+
- o-Phenanthroline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- o-Phenanthroline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
1,2,4-trihydroxyanthracene-9,10-dione Molecule
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N Molecular Formula C14H8O5
Related Dataset(s)
- Purpurin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- Purpurin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Purpurin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- heteronuclear multiple bond coherence (HMBC)
- Purpurin; LC-ESI-QFT; MS2; CE: 90; 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@15.0; [M+H]+
- Purpurin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Purpurin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
-
1,2-dihydronaphthalene Molecule
InChIKey KEIFWROAQVVDBN-UHFFFAOYSA-N Molecular Formula C10H10
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1,2-DIHYDRONAPHTHALENE; CI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1,4-dihydroxyanthracene-9,10-dione Molecule
InChIKey GUEIZVNYDFNHJU-UHFFFAOYSA-N Molecular Formula C14H8O4
Related Dataset(s)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 30 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 60 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 20 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 70 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 20; [M-H]-
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 50 V
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 10; [M-H]-
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 80 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 10 V
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- distortionless enhancement with polarization transfer (DEPT)
- 1,4-Dihydroxyanthraquinone; LC-ESI-QTOF; MS2; 40 V
- correlation spectroscopy (COSY)
- 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 40; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
-
1-(2,6-dihydroxyphenyl)ethanone Molecule
InChIKey YPTJKHVBDCRKNF-UHFFFAOYSA-N Molecular Formula C8H8O3
Related Dataset(s)
- 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:20 eV; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 2',6'-DIHYDROXYACETOPHENONE; EI-B; MS
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- 2,6-Dihydroxyacetophenone; LC-ESI-QTOF; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
-
1-(2-hydroxyphenyl)ethanone Molecule
InChIKey JECYUBVRTQDVAT-UHFFFAOYSA-N Molecular Formula C8H8O2
Related Dataset(s)
- ORTHO-HYDROXYACETHOPHENONE; EI-B; MS
- 1-(2-HYDROXYPHENYL)ETHANONE; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- O-HYDROXYACETOPHENONE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ORTHO-HYDROXYACETOPHENONE; EI-B; MS
- 2-HYDROXYACETOPHENONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1-(3,4-dichlorophenyl)ethanone Molecule
InChIKey WBPAOUHWPONFEQ-UHFFFAOYSA-N Molecular Formula C8H6Cl2O
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 3',4'-DICHLOROACETOPHENONE; EI-B; MS
