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PCEPA-M (O-deethyl-HO-) MS2
SpectraBase Compound ID ILxFxIbdqk8
InChI InChI=1S/C15H23NO2/c17-12-4-11-16-15(9-7-14(18)8-10-15)13-5-2-1-3-6-13/h1-3,5-6,14,16-18H,4,7-12H2
InChIKey VOXMJHPMVAMCBA-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EMlUM0s0UxU
Name PCMPA-M (O-demethyl-HO-ring)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-275.00]
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Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c17-12-4-11-16-15(9-7-14(18)8-10-15)13-5-2-1-3-6-13/h1-3,5-6,14,16-18H,4,7-12H2
InChIKey VOXMJHPMVAMCBA-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C1(CCC(CC1)O)C=1C=CC=CC1)CCCO
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