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Naproxen-M (O-demethyl-) MS3_1
SpectraBase Compound ID DGPGc1S6CzW
InChI InChI=1S/C12H10O/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h2-8H,1H3/p+1
InChIKey NIAHYIBNUVLMOL-UHFFFAOYSA-O
Mol Weight 171.22 g/mol
Molecular Formula C12H11O
Exact Mass 171.08099 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HlyAQaQYa7R
Name Naproxen-M (O-demethyl-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C12H10O/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h2-8H,1H3/p+1
InChIKey NIAHYIBNUVLMOL-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=2C=CC([CH+]C)=CC2C=C1
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