ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010500
RECORD_TITLE: N-2-BUTENYL-N-1-PHENYLPROPYLPROPANAMIDE; 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$NAME: N-2-BUTENYL-N-1-PHENYLPROPYLPROPANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₃NO
CH$EXACT_MASS: 245.17796
CH$SMILES: CC=CCN(C(=O)CC)C(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H23NO/c1-4-7-13-17(16(18)6-3)15(5-2)14-11-9-8-10-12-14/h4,7-12,15H,5-6,13H2,1-3H3/b7-4+
CH$LINK: INCHIKEY KIROBTRQJHPXKH-QPJJXVBHSA-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$SPLASH: splash10-054o-9700000000-7c8d7d17ab73e5a8baf3
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 28.5 285
  29 76 760
  39 22.9 229
  41 22.1 221
  51 11.9 119
  53 8.2 82
  55 59 590
  56 11.7 117
  57 52.5 525
  58 5.4 54
  65 8.1 81
  70 50.3 503
  71 5 50
  77 19.7 197
  78 7.8 78
  79 7.5 75
  91 99.99 999
  92 8.1 81
  103 6.2 62
  104 15.3 153
  105 5 50
  106 46.6 466
  115 8.3 83
  117 13.8 138
  118 17.5 175
  119 18.7 187
  126 24.4 244
  134 67.9 679
  135 7.3 73
  160 72.5 725
  161 9 90
  162 9.9 99
  190 92.1 921
  191 12.4 124
  216 5.6 56
  245 7.2 72
//