ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006762
RECORD_TITLE: P-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$NAME: P-ETHYLBENZALDEHYDE
CH$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$LINK: INCHIKEY QNGNSVIICDLXHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047080

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$SPLASH: splash10-001i-7900000000-6a3ae9843f99712bf916
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 9.6 96
  28 3.04 30
  29 2.65 27
  37 1.49 15
  38 2.82 28
  39 14.9 149
  40 1.49 15
  41 2.65 27
  50 10.6 106
  51 21.69 217
  52 4.31 43
  53 3.64 36
  61 1.32 13
  62 3.97 40
  63 10.6 106
  64 2.65 27
  65 11.59 116
  66 1.99 20
  73 1 10
  74 4.64 46
  75 3.97 40
  76 3.97 40
  77 28.81 288
  78 7.62 76
  79 19.87 199
  80 1.49 15
  86 1.16 12
  87 1.32 13
  89 7.12 71
  90 5.96 60
  91 50.51 505
  92 3.97 40
  101 1 10
  102 2.98 30
  103 12.92 129
  104 3.48 35
  105 55.31 553
  106 6.79 68
  107 1.16 12
  118 1.16 12
  119 17.55 176
  120 1.49 15
  131 1 10
  133 99.99 999
  134 95.05 951
  135 9.44 94
  136 1 10
//