-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- 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-QQ; MS2; CE:50 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- L-Serine; LC-ESI-ITFT; MS; POS
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-QQ; MS2; CE:40 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-QQ; MS2; CE:10 V; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
-
(4-methoxyphenyl)methanamine Molecule
InChIKey IDPURXSQCKYKIJ-UHFFFAOYSA-N Molecular Formula C8H11NO
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 4-METHOXYBENZYLAMINE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 4-METHOXYBENZYLAMINE; EI-B; MS
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
(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)
- Quinine[3]
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine.noesy
- Quinine[5]
- Quinine[4]
- Quinine[6]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine.cosy
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Quinine.proton
- Quinine[2]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinine.aptjmod
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine.hmbc
- Quinine[1]
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine.hsqc
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine; LC-ESI-QFT; MS2; CE: 30; 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--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
-
(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--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinidine; LC-ESI-Q; MS; POS; 75 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinidine; LC-ESI-Q; MS; POS; 45 V
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinidine; LC-ESI-Q; MS; POS; 60 V
- Quinidine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H 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)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Cinchonine; LC-ESI-Q; MS; POS; 45 V
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Cinchonine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 60 V
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 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: 10eV
- Cinchonine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Cinchonine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Cinchonine; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 75 V, 90 V
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(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; 15 V
- Hydroquinidine; LC-APCI-QTOF; MS; POSITIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 75 V
- Hydroquinidine; LC-ESI-QTOF; MS; POSITIVE
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroquinidine; LC-APCI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 30 V
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Hydroquinidine; LC-ESI-Q; MS; POS; 60 V
- Hydroquinidine; LC-ESI-QTOF; MS; NEGATIVE
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 90 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 45 V
- 1H--1H correlation spectroscopy (1H-1H COSY)
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
-
1,2-dihydronaphthalene Molecule
InChIKey KEIFWROAQVVDBN-UHFFFAOYSA-N Molecular Formula C10H10
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1,2-DIHYDRONAPHTHALENE; CI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
1-(2-hydroxyphenyl)ethanone Molecule
InChIKey JECYUBVRTQDVAT-UHFFFAOYSA-N Molecular Formula C8H8O2
Related Dataset(s)
- 1-(2-HYDROXYPHENYL)ETHANONE; EI-B; MS
- O-HYDROXYACETOPHENONE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ORTHO-HYDROXYACETHOPHENONE; EI-B; MS
- 2-HYDROXYACETOPHENONE; EI-B; MS
- ORTHO-HYDROXYACETOPHENONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1-(4-methylphenyl)ethanone Molecule
InChIKey GNKZMNRKLCTJAY-UHFFFAOYSA-N Molecular Formula C9H10O
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- METHYL 4-METHYLPHENYL KETONE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- P-METHYLACETOPHENONE; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- PARA METHYL ACETOPHENONE; EI-B; MS
-
1-bromo-2-methoxybenzene Molecule
InChIKey HTDQSWDEWGSAMN-UHFFFAOYSA-N Molecular Formula C7H7BrO
Related Dataset(s)
-
1-iodo-4-methylbenzene Molecule
InChIKey UDHAWRUAECEBHC-UHFFFAOYSA-N Molecular Formula C7H7I
Related Dataset(s)
-
1-methylindole Molecule
InChIKey BLRHMMGNCXNXJL-UHFFFAOYSA-N Molecular Formula C9H9N
Related Dataset(s)
-
1H-indole-2,3-dione Molecule
InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N Molecular Formula C8H5NO2
Related Dataset(s)
- Isatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Isatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Isatin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Isatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Isatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Isatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Isatin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Isatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Isatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Isatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
-
2-iodobenzoic acid Molecule
InChIKey CJNZAXGUTKBIHP-UHFFFAOYSA-N Molecular Formula C7H5IO2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2-IODOBENZOIC ACID; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- ORTHO-IODOBENZOIC ACID; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
3,4-dihydro-2H-naphthalen-1-one Molecule
InChIKey XHLHPRDBBAGVEG-UHFFFAOYSA-N Molecular Formula C10H10O
Related Dataset(s)
-
3,4-dihydroxybenzaldehyde Molecule
InChIKey IBGBGRVKPALMCQ-UHFFFAOYSA-N Molecular Formula C7H6O3
Related Dataset(s)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
-
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy... Molecule
InChIKey DGQLVPJVXFOQEV-JNVSTXMASA-N Molecular Formula C22H20O13
Related Dataset(s)
- Carminic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- NMR_Bruker-FID[4]
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- circular dichroism spectroscopy (CD spectrometry)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[5]
- NMR_Bruker-FID[1]
- NMR_Bruker-FID[6]
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Carminic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- NMR_Bruker-FID[2]
- Carminic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
- Carminic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- NMR_Bruker-FID[3]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Carminic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Carminic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
-
3-bromobenzaldehyde Molecule
InChIKey SUISZCALMBHJQX-UHFFFAOYSA-N Molecular Formula C7H5BrO
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- M-BROMOBENZALDEHYDE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
