ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007068
RECORD_TITLE: BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 123-86-4
CH$LINK: INCHIKEY DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021982

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-39d2240c612740224374
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 4.98 50
  27 8.34 83
  28 2.94 29
  29 8.14 81
  31 1.37 14
  39 5.31 53
  41 16.31 163
  42 4.26 43
  43 99.99 999
  44 3.09 31
  55 6.98 70
  56 39.8 398
  57 3.92 39
  58 1.62 16
  61 13.76 138
  71 1.25 13
  73 16.49 165
  87 1.28 13
//