ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001522
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$LINK: INCHIKEY DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021982

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-89d861b5ededa36a4456
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 6.39 64
  26 1.34 13
  27 8.5 85
  28 4 40
  29 8.6 86
  31 2.21 22
  39 4.64 46
  40 1.18 12
  41 16.22 162
  42 2.88 29
  43 99.99 999
  44 3.09 31
  55 8.24 82
  56 45.94 459
  57 4.64 46
  58 2.06 21
  61 15.81 158
  71 2.01 20
  73 15.04 150
  86 1.29 13
  87 1.75 18
  116 0.52 5
//