ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008932
RECORD_TITLE: PARA-ETHYLBENZALDEHYDE; 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$NAME: PARA-ETHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O
CH$EXACT_MASS: 134.07316
CH$SMILES: CCc(c1)ccc(C=O)c1
CH$IUPAC: InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
CH$LINK: COMPTOX DTXSID0047080
CH$LINK: INCHIKEY QNGNSVIICDLXHT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:20861

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-3900000000-d03f4f4d16760a07a4e0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  28 1 10
  43 1.2 12
  51 0.1 1
  65 5.4 54
  71 1.7 17
  77 11.7 117
  78 0.34 3
  79 17.2 172
  80 1 10
  89 1.5 15
  90 0.36 4
  91 55.4 554
  92 4.2 42
  103 7.1 71
  104 0.26 3
  105 52.2 522
  106 6.6 66
  118 1.2 12
  119 1.65 17
  120 1.7 17
  133 91.5 915
  134 99.99 999
  135 9.9 99
//