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Ethaverine-M (bis-O-deethyl-) MS2
SpectraBase Compound ID LPOSvjh3ccF
InChI InChI=1S/C20H21NO4/c1-3-24-19-11-14-7-8-21-16(15(14)12-20(19)25-4-2)9-13-5-6-17(22)18(23)10-13/h5-8,10-12,22-23H,3-4,9H2,1-2H3
InChIKey LXMJQLQVFNAZIW-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 BPjQGcJDQIG
Name Ethaverine-M (bis-O-deethyl-)
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/c1-3-24-19-11-14-7-8-21-16(15(14)12-20(19)25-4-2)9-13-5-6-17(22)18(23)10-13/h5-8,10-12,22-23H,3-4,9H2,1-2H3
InChIKey LXMJQLQVFNAZIW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC=1C(=CC(=CC1)CC=1C2=CC(=C(OCC)C=C2C=CN1)OCC)O
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