ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002122
RECORD_TITLE: CINNAMALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=CC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
CH$LINK: INCHIKEY KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID6024834

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0f89-5900000000-540c43f6893b35e8a105
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 3.55 36
  28 3.68 37
  29 2.26 23
  31 6.45 65
  39 3.87 39
  44 3.22 32
  45 3.61 36
  50 7.74 77
  51 26.43 264
  52 5.8 58
  55 1.29 13
  62 1.35 14
  63 3.87 39
  74 3.09 31
  75 2.97 30
  76 3.87 39
  77 34.75 348
  78 21.28 213
  91 1.68 17
  102 6.32 63
  103 46.42 464
  104 15.34 153
  105 2.58 26
  131 99.99 999
  132 50.68 507
  133 4.45 45
//