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MPBP-M (HO-alkyl) MS2
SpectraBase Compound ID Brm4f394TqQ
InChI InChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)15(18)14(8-11-17)16-9-2-3-10-16/h4-7,14,17H,2-3,8-11H2,1H3
InChIKey ZXFSEGMCOOIOJC-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ILKAbOGnjjm
Name MPBP-M (HO-alkyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-270.00]
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Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)15(18)14(8-11-17)16-9-2-3-10-16/h4-7,14,17H,2-3,8-11H2,1H3
InChIKey ZXFSEGMCOOIOJC-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OCCC(C(C=1C=CC(=CC1)C)=O)N1CCCC1
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