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Ethaverine MS3_2
SpectraBase Compound ID 5dxn8UQP9Kx
InChI InChI=1S/C21H21NO4/c1-4-25-19-7-6-14(11-21(19)26-5-2)10-17-16-13-18(23)20(24-3)12-15(16)8-9-22-17/h6-9,11-13H,3-5,10H2,1-2H3/p+1
InChIKey YXTCMJMLTKNAJD-UHFFFAOYSA-O
Mol Weight 352.41 g/mol
Molecular Formula C21H22NO4
Exact Mass 352.154883 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2YVkYQOKuUi
Name Ethaverine MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00]
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InChI InChI=1S/C21H21NO4/c1-4-25-19-7-6-14(11-21(19)26-5-2)10-17-16-13-18(23)20(24-3)12-15(16)8-9-22-17/h6-9,11-13H,3-5,10H2,1-2H3/p+1
InChIKey YXTCMJMLTKNAJD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C(C=C2C(=C1)C(=NC=C2)CC=1C=C(OCC)C(=CC1)OCC)O[CH2+]
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS