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DOM-M (O-demethyl-glucuronide) MS3_2
SpectraBase Compound ID F9goyrVwTXF
InChI InChI=1S/C11H14O2/c1-4-5-9-7-11(13-3)8(2)6-10(9)12/h4,6-7H,5H2,1-3H3/p+1
InChIKey RAJJPAGXFMMWKU-UHFFFAOYSA-O
Mol Weight 179.24 g/mol
Molecular Formula C11H15O2
Exact Mass 179.107205 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1F4RY5wJid7
Name DOM-M (O-demethyl-glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C11H14O2/c1-4-5-9-7-11(13-3)8(2)6-10(9)12/h4,6-7H,5H2,1-3H3/p+1
InChIKey RAJJPAGXFMMWKU-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C(C[CH+]C)C=C(C(=C1)C)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