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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 K38mjzXfwjU
Name Diphenhydramine-M (N-oxide)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-295.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES O[N+](CCOC(C1=CC=CC=C1)C1=CC=CC=C1)(C)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD