ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007175
RECORD_TITLE: 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$NAME: PHENYLETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)C(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY JDQVBGQWADMTAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044764

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$SPLASH: splash10-0udi-8900000000-03330b63424030d17f57
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 8.02 80
  39 6.27 63
  42 1.29 13
  43 43.07 431
  44 1.32 13
  50 1.02 10
  51 4.39 44
  63 1.23 12
  65 4.75 48
  71 14.9 149
  77 6.92 69
  78 3.65 37
  79 2.91 29
  91 9.86 99
  92 1.3 13
  103 4.67 47
  104 99.99 999
  105 17.5 175
//