ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001303
RECORD_TITLE: ACETIC ACID ISOBUTYL ESTER; 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$NAME: ACETIC ACID ISOBUTYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-47909851abe2172156c6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.04 30
  27 3.35 34
  28 1.44 14
  29 3.9 39
  31 1 10
  39 3.16 32
  41 10.59 106
  42 2.23 22
  43 99.99 999
  44 2.35 24
  55 2.42 24
  56 29.93 299
  57 3.22 32
  61 2.79 28
  71 3.16 32
  73 17.35 174
  74 1.8 18
  86 2.04 20
//