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Diphenhydramine-M (N-oxide) MS2
SpectraBase Compound ID 2TEqw6cEHeF
InChI InChI=1S/C17H22NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/q+1
InChIKey NDYVAPDXGGTUPC-UHFFFAOYSA-N
Mol Weight 272.37 g/mol
Molecular Formula C17H22NO2
Exact Mass 272.165054 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DafGOY6evYJ
Name Diphenhydramine-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 [email protected]
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Formula C17H21NO2
InChI InChI=1S/C17H22NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/q+1
InChIKey NDYVAPDXGGTUPC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES O[N+](CCOC(C1=CC=CC=C1)C1=CC=CC=C1)(C)C
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 ms2
Technique ITMS