ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007174
RECORD_TITLE: ALPHA-PHENYLETHYL ISOBUTYRATE; 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$NAME: ALPHA-PHENYLETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)C(=O)OC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
CH$LINK: INCHIKEY JZCCYSDOUYQZMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50864119

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$SPLASH: splash10-0a4i-5900000000-5b2900d4351c60efb106
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 11.25 113
  28 1.37 14
  39 6.45 65
  41 8.05 81
  42 1.29 13
  43 31.47 315
  50 1.81 18
  51 8.51 85
  52 1.69 17
  63 1.38 14
  65 1.22 12
  71 14.73 147
  77 19.27 193
  78 7.9 79
  79 10.84 108
  103 8.72 87
  104 30.68 307
  105 99.99 999
  106 8.31 83
  107 2.05 21
  121 2.57 26
  122 28.23 282
  123 1.85 19
  192 8.9 89
//