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Buflomedil-M (O-demethyl-) MS3_1
SpectraBase Compound ID DHWUQQBc7ce
InChI InChI=1S/C12H14O4/c1-4-5-9(13)12-10(14)6-8(15-2)7-11(12)16-3/h6-7H,1,4-5H2,2-3H3/p+1
InChIKey XXRGMMDROGKYKI-UHFFFAOYSA-O
Mol Weight 223.25 g/mol
Molecular Formula C12H15O4
Exact Mass 223.097034 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8FMVUUZd7ZA
Name Buflomedil-M (O-demethyl-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C12H14O4/c1-4-5-9(13)12-10(14)6-8(15-2)7-11(12)16-3/h6-7H,1,4-5H2,2-3H3/p+1
InChIKey XXRGMMDROGKYKI-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C(C(CC[CH2+])=O)C(=CC(=C1)OC)OC
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS