ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007433
RECORD_TITLE: (E)-3-PHENYL-2-PROPANAL; CI-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$NAME: (E)-3-PHENYL-2-PROPANAL
CH$NAME: TRANS-CINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=CC([H])=C([H])c(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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-0900000000-c02b7869dea8f1113cb4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  75 0.52 5
  76 0.51 5
  77 1.2 12
  78 2.93 29
  91 2.55 26
  103 2.34 23
  104 1.53 15
  105 1.15 12
  115 0.77 8
  131 4.52 45
  132 9.65 97
  133 99.99 999
  134 10.28 103
  135 0.73 7
//