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3-Methoxy rolicyclidene
SpectraBase Compound ID D9UL8orycWC
InChI InChI=1S/C17H25NO/c1-19-16-9-7-8-15(14-16)17(10-3-2-4-11-17)18-12-5-6-13-18/h7-9,14H,2-6,10-13H2,1H3
InChIKey NLTZYGQREVLCBK-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID E5HTH3cxSQU
Name 3-Methoxy-rolicyclidine ##
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-285.00]
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Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-19-16-9-7-8-15(14-16)17(10-3-2-4-11-17)18-12-5-6-13-18/h7-9,14H,2-6,10-13H2,1H3
InChIKey NLTZYGQREVLCBK-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C1N(CCC1)C1(C=2C=CC=C(C2)OC)CCCCC1
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