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Papaverine-M (bis-O-demethyl-) MS2
SpectraBase Compound ID BLiUqrm8mZp
InChI InChI=1S/C18H17NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-6,8-10,20-21H,7H2,1-2H3
InChIKey RGKXIMNWLXONBW-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2RIPZDMiDah
Name Papaverine-M (bis-O-demethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-335.00]
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-6,8-10,20-21H,7H2,1-2H3
InChIKey RGKXIMNWLXONBW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC1=CC=C(CC2=NC=CC=3C2=CC(=C(C3)OC)O)C=C1OC
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