ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001203
RECORD_TITLE: SEC-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$NAME: SEC-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY DCKVNWZUADLDEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047612

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$SPLASH: splash10-0006-9000000000-d07142c84c139fa949c9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  18 6.5 65
  25 3.5 35
  26 2 20
  29 0.2 2
  40 9 90
  41 1.5 15
  43 99.99 999
  44 0.35 4
  45 2 20
  53 2 20
  55 36 360
  56 1.05 11
  58 1 10
  59 1.5 15
  60 2 20
  61 0.85 9
  72 1.5 15
  73 9 90
  74 1.5 15
  88 2.85 29
  89 2 20
  101 6 60
  102 1.5 15
  115 1.5 15
//