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Ethaverine
SpectraBase Compound ID IGWudT0VTBV
InChI InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3
InChIKey ZOWYFYXTIWQBEP-UHFFFAOYSA-N
Mol Weight 395.5 g/mol
Molecular Formula C24H29NO4
Exact Mass 395.209658 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9Z2zXUjs4qi
Name Ethaverine
CAS Registry Number 486-47-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-420.00]
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Formula C24H29NO4
InChI InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3
InChIKey ZOWYFYXTIWQBEP-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C1=C2C=CN=C(C2=CC(=C1OCC)OCC)CC=1C=C(OCC)C(OCC)=CC1
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