ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011830
RECORD_TITLE: (E)-TERT-BUTYL 3-BENZYLAMINO-5-PHENYL-4-PENTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-TERT-BUTYL 3-BENZYLAMINO-5-PHENYL-4-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₇NO₂
CH$EXACT_MASS: 337.20418
CH$SMILES: CC(C)(C)OC(=O)CC(NCc(c2)cccc2)C([H])=C([H])c(c1)cccc1
CH$IUPAC: InChI=1S/C22H27NO2/c1-22(2,3)25-21(24)16-20(15-14-18-10-6-4-7-11-18)23-17-19-12-8-5-9-13-19/h4-15,20,23H,16-17H2,1-3H3/b15-14+
CH$LINK: INCHIKEY SMJOVCLVCALQQS-CCEZHUSRSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0290000000-3687b3f41ec16795f431
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  144 1 10
  190 34.9 349
  191 4.2 42
  222 99.99 999
  223 17.5 175
  224 1 10
  246 21.3 213
  247 3.2 32
  264 7 70
  265 1 10
  280 9.1 91
  281 3.4 34
  337 3.9 39
//