ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001201
RECORD_TITLE: ISOBUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(C)COC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026837

AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9000000000-25cc25b3ba0651c0ba45
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  18 24 240
  27 7 70
  28 1.5 15
  31 0.1 1
  39 1 10
  40 1 10
  41 6.5 65
  42 0.1 1
  43 99.99 999
  44 2 20
  45 1 10
  55 0.2 2
  56 57 570
  57 4.5 45
  61 14 140
  70 0.7 7
  72 32 320
  73 3 30
  79 1 10
  87 3 30
//