ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001198
RECORD_TITLE: BUTYL 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$NAME: BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCOC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
CH$LINK: INCHIKEY DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021982

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$SPLASH: splash10-0006-9000000000-130fe9ba3fdc11b38c68
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 6 60
  16 2 20
  17 11 110
  25 0.1 1
  26 7 70
  27 22 220
  28 8 80
  30 0.15 2
  38 0.5 5
  39 7 70
  40 1 10
  41 1.8 18
  42 4 40
  43 99.99 999
  44 3 30
  55 0.65 7
  56 32 320
  57 4 40
  58 2 20
  61 12 120
  72 0.05 1
  73 0.5 5
  74 12 120
  75 0.5 5
  85 0.1 1
  115 1 10
//