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PCPR-M (HO-) isomer 1 MS2
SpectraBase Compound ID LlEG9sAtPNL
InChI InChI=1S/C15H23NO/c1-2-12-16-15(10-8-14(17)9-11-15)13-6-4-3-5-7-13/h3-7,14,16-17H,2,8-12H2,1H3
InChIKey BKQLYJZOWIEDEI-UHFFFAOYSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FtETfWpzdpO
Name PCPR-M (HO-) isomer-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-255.00]
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Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-2-12-16-15(10-8-14(17)9-11-15)13-6-4-3-5-7-13/h3-7,14,16-17H,2,8-12H2,1H3
InChIKey BKQLYJZOWIEDEI-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC1CCC(CC1)(C1=CC=CC=C1)NCCC
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