-
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)
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1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one Molecule
InChIKey DXDRHHKMWQZJHT-UHFFFAOYSA-N Molecular Formula C15H12O4
Related Dataset(s)
- 2',4,4'-Trihydroxychalcone; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[11]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[13]
- 2',4,4'-Trihydroxychalcone; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[99999]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[16]
- YAC_3P (Compound 19) Isoliquiritigenin[15]
- YAC_3P (Compound 19) Isoliquiritigenin[14]
- YAC_3P (Compound 19) Isoliquiritigenin[12]
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- isoliquiritigenin; LC-ESI-QTOF; MS2
- YAC_3P (Compound 19) Isoliquiritigenin[17]
-
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
-
1-(3-bromophenyl)ethanone Molecule
InChIKey JYAQYXOVOHJRCS-UHFFFAOYSA-N Molecular Formula C8H7BrO
Related Dataset(s)
- 3-BROMOPHENYL METHYL KETONE; EI-B; MS
- M-BROMOACETOPHENONE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- M-BROMOACETOPHENONE; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 3'-BROMOACETOPHENONE; EI-B; MS
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1-(4-methoxyphenyl)ethanone Molecule
InChIKey NTPLXRHDUXRPNE-UHFFFAOYSA-N Molecular Formula C9H10O2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- P-METHOXYACETOPHENONE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 4-METHOXYACETOPHENONE; EI-B; MS
- 4-METHOXYPHENYL METHYL KETONE; EI-B; MS
-
1-(4-methylphenyl)ethanone Molecule
InChIKey GNKZMNRKLCTJAY-UHFFFAOYSA-N Molecular Formula C9H10O
Related Dataset(s)
- METHYL 4-METHYLPHENYL KETONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- PARA METHYL ACETOPHENONE; EI-B; MS
- P-METHYLACETOPHENONE; 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)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
1-(4-phenylphenyl)ethanone Molecule
InChIKey QCZZSANNLWPGEA-UHFFFAOYSA-N Molecular Formula C14H12O
Related Dataset(s)
-
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)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1-Aminoanthraquinone; LC-APCI-ITFT; MS2; CE:35;
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
1-bromo-2-methoxybenzene Molecule
InChIKey HTDQSWDEWGSAMN-UHFFFAOYSA-N Molecular Formula C7H7BrO
Related Dataset(s)
-
1-bromonaphthalene Molecule
InChIKey DLKQHBOKULLWDQ-UHFFFAOYSA-N Molecular Formula C10H7Br
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1-BROMONAPHTHALENE; EI-B; MS
- correlation spectroscopy (COSY)
- 1-BROMONAPHTHALENE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1-bromopyrrolidine-2,5-dione Molecule
InChIKey PCLIMKBDDGJMGD-UHFFFAOYSA-N Molecular Formula C4H4BrNO2
Related Dataset(s)
- N-BROMOSUCCINIMIDE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
-
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; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Nalidixic acid, 389-08-2[1]
- Nalidixic acid, 389-08-2[5]
- Nalidixic acid, 389-08-2[6]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
- Nalidixic acid, 389-08-2[3]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:50 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, 389-08-2.cosy
- Nalidixic acid, 389-08-2[2]
-
1-fluoro-2-phenylbenzene Molecule
InChIKey KLECYOQFQXJYBC-UHFFFAOYSA-N Molecular Formula C12H9F
Related Dataset(s)
-
1-hydroxyanthracene-9,10-dione Molecule
InChIKey BTLXPCBPYBNQNR-UHFFFAOYSA-N Molecular Formula C14H8O3
Related Dataset(s)
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1-Hydroxyanthraquinone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- heteronuclear single quantum coherence (HSQC)
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1-Hydroxyanthraquinone; APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
- heteronuclear multiple bond coherence (HMBC)
- 1-Hydroxyanthraquinone; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1-iodo-4-methylbenzene Molecule
InChIKey UDHAWRUAECEBHC-UHFFFAOYSA-N Molecular Formula C7H7I
Related Dataset(s)
-
1-methoxy-4-[(E)-prop-1-enyl]benzene Molecule
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N Molecular Formula C10H12O
Related Dataset(s)
-
1-methoxy-4-prop-2-enylbenzene Molecule
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- 140-67-0[hmbc.dx]
- 140-67-0[hsqc.ser.dx]
- 140-67-0.dept135
- 140-67-0[dept135.dx]
- 140-67-0[13c.dx]
- 140-67-0[1h.dx]
- Classics_Estragole[2]
- 4-ALLYLANISOLE; EI-B; MS
- Classics_Estragole[6]
- Classics_Estragole.noesy
- 140-67-0[13c.fid.dx]
- 140-67-0[hmbc.ser.dx]
- 140-67-0.hsqc
- Classics_Estragole[3]
- 140-67-0[cosy.dx]
- Classics_Estragole[5]
- P-ALLYL ANISOLE; EI-B; MS
- 4-ALLYLANISOLE; EI-B; MS
- 140-67-0[1h.fid.dx]
- Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+
- 140-67-0[cosy.ser.dx]
- Classics_Estragole[1]
- Estragole; ESI-QTOF; MS2; CE: 10; [M+H]+
