ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007347
RECORD_TITLE: (E)-3-PHENYL-2-PROPENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-3-PHENYL-2-PROPENAL
CH$NAME: TRANS-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: CAS 14371-10-9
CH$LINK: INCHIKEY KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID6024834

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0f89-6900000000-ecaba4b9d657020c3f4c
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 1.56 16
  27 5.18 52
  28 2.98 30
  29 2.76 28
  37 1.34 13
  38 2.84 28
  39 8.02 80
  49 1.27 13
  50 14.96 150
  51 36.82 368
  51.5 2.27 23
  52 10.06 101
  53 1.7 17
  54 1.7 17
  55 1.7 17
  61 1.56 16
  62 3.55 36
  63 8.16 82
  64 1.13 11
  65 1.54 15
  65.5 1.27 13
  66 2.48 25
  73 1.13 11
  74 6.95 70
  75 6.31 63
  76 7.88 79
  77 45.11 451
  78 31.99 320
  79 1.91 19
  87 1 10
  89 1.41 14
  91 2.69 27
  98 1.06 11
  101 1.84 18
  102 9.93 99
  103 56.03 560
  104 31.21 312
  105 3.47 35
  115 1.06 11
  130 1.35 14
  131 99.99 999
  132 93.19 932
  133 9.22 92
//