MassBank Record: JP008760

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N-1'(S)-PHENYLETHYL-2(R),3(S)-DIMETHYL-4-PENTENAMIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP008760
RECORD_TITLE: N-1'(S)-PHENYLETHYL-2(R),3(S)-DIMETHYL-4-PENTENAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TSUNODA T, FACULTY OF PHARMACEUTICAL SCIENCES, TOKUSHIMA BUNRI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-1'(S)-PHENYLETHYL-2(R),3(S)-DIMETHYL-4-PENTENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21NO
CH$EXACT_MASS: 231.16230999999999085048330016434192657470703125
CH$SMILES: C=CC([H])(C)C([H])(C)C(=O)NC([H])(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO/c1-5-11(2)12(3)15(17)16-13(4)14-9-7-6-8-10-14/h5-13H,1H2,2-4H3,(H,16,17)/t11-,12-,13+/m0/s1
CH$LINK: INCHIKEY WBTKZEUGXDCOIT-RWMBFGLXSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-5910000000-64afed50b7de1076fc75
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
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  231 13.7 137
//