ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007078
RECORD_TITLE: P-CRESYL 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$NAME: P-CRESYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)CC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
CH$LINK: INCHIKEY MVDPTWHTUYDLTL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047159

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$SPLASH: splash10-0a4i-9800000000-ae3fe62535d29d3a9e9e
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 7.3 73
  29 7.59 76
  39 8.96 90
  41 15.14 151
  42 2.22 22
  43 5.37 54
  50 1.38 14
  51 3.39 34
  52 2.32 23
  53 2.78 28
  55 1.63 16
  57 33.36 334
  58 1.25 13
  63 1.39 14
  65 2.53 25
  69 1.91 19
  77 11.6 116
  78 3.1 31
  79 4.45 45
  80 1.78 18
  85 9.51 95
  90 1.15 12
  91 4.46 45
  107 14.7 147
  108 99.99 999
  109 9.93 99
  135 1.16 12
  192 6.08 61
//