ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005179
RECORD_TITLE: BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: COMPTOX DTXSID3021982
CH$LINK: INCHIKEY DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31272

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-9d38bab5a3e882cc47f3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  28 1.46 15
  29 3.34 33
  31 1 10
  41 12.59 126
  43 99.99 999
  44 2.51 25
  55 9.14 91
  56 74.55 746
  57 5.59 56
  58 2.82 28
  61 23.19 232
  71 2.71 27
  73 23.14 231
  74 1 10
  86 1.51 15
  87 2.24 22
  116 0.42 4
//