ACCESSION: JP010498
RECORD_TITLE: N-(2-METHYL-1-PHENYLPROPYL)PROPANAMIDE; 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$NAME: N-(2-METHYL-1-PHENYLPROPYL)PROPANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₉NO
CH$EXACT_MASS: 205.14666
CH$SMILES: CCC(=O)NC(C(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H19NO/c1-4-12(15)14-13(10(2)3)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3,(H,14,15)
CH$LINK: INCHIKEY YKBKVAVBYPIHRS-UHFFFAOYSA-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$SPLASH: splash10-0a6r-7900000000-05479e756d54397b5374
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  18 2.2 22
  27 16.4 164
  28 13.2 132
  29 31.2 312
  39 7.7 77
  41 7.5 75
  42 2 20
  43 6.8 68
  50 3.2 32
  51 8.7 87
  52 2.6 26
  55 4.9 49
  57 24.6 246
  63 2.2 22
  65 2.5 25
  72 2 20
  77 13.5 135
  78 5.5 55
  79 9.9 99
  91 15.8 158
  104 14.2 142
  105 5.8 58
  106 99.99 999
  107 14.3 143
  115 3.8 38
  117 4.4 44
  132 4.6 46
  133 2.8 28
  134 7 70
  148 2.4 24
  162 50.3 503
  163 6.6 66
  205 2 20
//