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Papaverine
SpectraBase Compound ID ImvFf83jjtM
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1iUQAbRVbbc
Name Papaverine
CAS Registry Number 58-74-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-365.00]
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Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C12=CC(OC)=C(C=C2C(=NC=C1)CC1=CC=C(OC)C(=C1)OC)OC
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD