ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000041
RECORD_TITLE: ISOBUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL BENZOATE
CH$NAME: BENZOIC ACID ISOBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY KYZHGEFMXZOSJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047074

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-8900000000-64acee983703b623e7c3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 3.42 34
  29 5.78 58
  39 2.77 28
  41 7.96 80
  43 1.18 12
  50 3.42 34
  51 13.98 140
  55 1.89 19
  56 32.15 322
  57 2.6 26
  76 1.77 18
  77 45.43 454
  78 3.42 34
  79 4.9 49
  105 99.99 999
  106 7.61 76
  122 1.77 18
  123 34.51 345
  124 2.48 25
//