ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005392
RECORD_TITLE: CINNAMIC ALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CINNAMIC ALDEHYDE
CH$NAME: 3-PHENYL-2-PROPENAL
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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-001i-3900000000-9d274f5e3981ab662650
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  40 2.6 26
  41 7.4 74
  51 11.2 112
  52 2.71 27
  53 6.3 63
  54 1.5 15
  55 1.3 13
  61 0.1 1
  63 2.4 24
  64 5.3 53
  65 1.1 11
  74 0.38 4
  75 3.4 34
  76 4.2 42
  77 25.6 256
  78 2.01 20
  79 1.3 13
  91 1.3 13
  102 7.4 74
  103 3.86 39
  104 19.5 195
  105 2.7 27
  115 1 10
  131 99.99 999
  132 63.5 635
  133 7.4 74
//