ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007172
RECORD_TITLE: BENZYL 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$NAME: BENZYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY UIKJRDSCEYGECG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047602

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$SPLASH: splash10-0006-9100000000-b537162bf87c98d73dae
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 8.3 83
  39 10.2 102
  41 10.26 103
  42 1.22 12
  43 32.62 326
  50 1.54 15
  51 6.23 62
  52 1.39 14
  63 2.64 26
  65 11.91 119
  71 13.56 136
  77 7.48 75
  78 1.49 15
  79 4.99 50
  89 3.75 38
  90 7.16 72
  91 99.99 999
  92 7.72 77
  105 1.61 16
  107 2.87 29
  108 21.65 217
  109 1.28 13
  178 14.94 149
  179 1.52 15
//