ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007077
RECORD_TITLE: BENZYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: CAS 103-38-8
CH$LINK: INCHIKEY HVJKZICIMIWFCP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047603

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-f2c708c08313abae60ff
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 5.79 58
  29 12.65 127
  39 7.6 76
  41 12.25 123
  50 1.23 12
  51 4.63 46
  52 1.15 12
  55 1.54 15
  56 1.1 11
  57 36 360
  58 1.34 13
  63 2.4 24
  65 10.35 104
  77 6.09 61
  78 1.29 13
  79 4.2 42
  85 11.4 114
  89 3.48 35
  90 5.39 54
  91 99.99 999
  92 9.13 91
  105 1.32 13
  107 3.3 33
  108 16.41 164
  109 1.09 11
  192 12.53 125
  193 1.38 14
//