ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001200
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-f217b5e6b92235a1dd71
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 5 50
  17 4 40
  18 19.5 195
  26 0.4 4
  27 7.5 75
  28 4 40
  30 2 20
  31 0.05 1
  39 4 40
  40 2 20
  41 12 120
  43 99.99 999
  44 3 30
  45 2 20
  46 1 10
  55 0.25 3
  56 32.5 325
  57 4.5 45
  61 3 30
  70 0.3 3
  72 19 190
  73 2 20
  87 2 20
//