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(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]+
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1-(4-phenylphenyl)ethanone Molecule
InChIKey QCZZSANNLWPGEA-UHFFFAOYSA-N Molecular Formula C14H12O
Related Dataset(s)
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1-oxidopyridin-1-ium Molecule
InChIKey ILVXOBCQQYKLDS-UHFFFAOYSA-N Molecular Formula C5H5NO
Related Dataset(s)
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1H-quinolin-2-one Molecule
InChIKey LISFMEBWQUVKPJ-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- infrared absorption spectroscopy (IR)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: Ramp 16.1-24.1 eV; R=35000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- mass spectrometry (MS)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
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2-(4-methoxyphenyl)ethanamine Molecule
InChIKey LTPVSOCPYWDIFU-UHFFFAOYSA-N Molecular Formula C9H13NO
Related Dataset(s)
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
- infrared absorption spectroscopy (IR)
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
- 2-(4-Methoxyphenyl)ethylamine; ESI-QQ; MS; POSITIVE
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
- 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
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2-acetamidoacetic acid Molecule
InChIKey OKJIRPAQVSHGFK-UHFFFAOYSA-N Molecular Formula C4H7NO3
Related Dataset(s)
- N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2
- N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2
- N-ACETYLGLYCINE; EI-B; MS
- infrared absorption spectroscopy (IR)
- N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2
- N-Acetylglycine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, 2-acetamidoacetic acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QTOF; MS2
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2-amino-5-hydroxybenzoic acid Molecule
InChIKey HYNQTSZBTIOFKH-UHFFFAOYSA-N Molecular Formula C7H7NO3
Related Dataset(s)
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2-iodo-N-phenylbenzamide Molecule
InChIKey LJOZMWRYMKECFF-UHFFFAOYSA-N Molecular Formula C13H10INO
Related Dataset(s)
- Benodanil; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- Benodanil; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
- electron ionisation mass spectrometry (EI-MS)
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- Benodanil; LC-ESI-QTOF; MS2; 150 V
- Benodanil; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 80 V
- infrared absorption spectroscopy (IR)
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 80 V
- Benodanil; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- Benodanil; LC-ESI-QTOF; MS2; 150 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- Benodanil; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- Benodanil; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- Benodanil; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
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3,6-dinitro-9H-carbazole Molecule
InChIKey IARXLBTXILYASE-UHFFFAOYSA-N Molecular Formula C12H7N3O4
Related Dataset(s)
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4-chloro-1-oxidopyridin-1-ium Molecule
InChIKey DPJVRASYWYOFSJ-UHFFFAOYSA-N Molecular Formula C5H4ClNO
Related Dataset(s)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 20; [M-H]-
- 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 20; [M+H]+
- 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 10; [M+H]+
- infrared absorption spectroscopy (IR)
- 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 10; [M-H]-
- mass spectrometry (MS)
- 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 40; [M+H]+
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5,7-dimethoxychromen-2-one Molecule
InChIKey NXJCRELRQHZBQA-UHFFFAOYSA-N Molecular Formula C11H10O4
Related Dataset(s)
- 5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 40; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 20; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- infrared absorption spectroscopy (IR)
- 5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 10; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- 5,7-Dimethoxy-2H-chromen-2-one; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
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N,N'-dimethylcarbamimidothioic acid Molecule
InChIKey VLCDUOXHFNUCKK-UHFFFAOYSA-N Molecular Formula C3H8N2S
Related Dataset(s)
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N-(2-methylphenyl)acetamide Molecule
InChIKey BPEXTIMJLDWDTL-UHFFFAOYSA-N Molecular Formula C9H11NO
Related Dataset(s)
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N-(4-bromophenyl)acetamide Molecule
InChIKey MSLICLMCQYQNPK-UHFFFAOYSA-N Molecular Formula C8H8BrNO
Related Dataset(s)
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
- 4`-Bromacetanilide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- infrared absorption spectroscopy (IR)
- 4`-Bromacetanilide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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N-benzyl-1-phenylmethanamine Molecule
InChIKey BWLUMTFWVZZZND-UHFFFAOYSA-N Molecular Formula C14H15N
Related Dataset(s)
- Dibenzylamine; LC-ESI-QTOF; MS2; 130 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 20 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 30 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 140 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 150 V
- DIBENZYLAMINE; EI-B; MS
- Dibenzylamine; LC-ESI-QTOF; MS2; 120 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 100 V
- electron ionisation mass spectrometry (EI-MS)
- Dibenzylamine; LC-ESI-QTOF; MS2; 80 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 40 V
- infrared absorption spectroscopy (IR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 90 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 40 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 10 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 50 V
- Dibenzylamine; LC-ESI-QTOF; MS2; 110 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 70 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Dibenzylamine; LC-ESI-QTOF; MS2; 60 V
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N-benzylprop-2-yn-1-amine Molecule
InChIKey LDYBFSGEBHSTOQ-UHFFFAOYSA-N Molecular Formula C10H11N
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- thin-layer chromatography (TLC)
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Raman spectroscopy (Raman spectrometry)
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N-butylacetamide Molecule
InChIKey GYLDXXLJMRTVSS-UHFFFAOYSA-N Molecular Formula C6H13NO
Related Dataset(s)
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[4-(sulfanylmethyl)phenyl]methanethiol Molecule
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N Molecular Formula C8H10S2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1,4-BIS(MERCAPTOMETHYL)BENZENE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- thin-layer chromatography (TLC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- electron ionisation mass spectrometry (EI-MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- electron ionisation mass spectrometry (EI-MS)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
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diethyl benzene-1,4-dicarboxylate Molecule
InChIKey ONIHPYYWNBVMID-UHFFFAOYSA-N Molecular Formula C12H14O4
Related Dataset(s)
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ethyl 4-acetamidobenzoate Molecule
InChIKey NHLOBHNRBWKNIO-UHFFFAOYSA-N Molecular Formula C11H13NO3
Related Dataset(s)
