ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005922
RECORD_TITLE: BENZYL BUTYRATE; 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$NAME: BENZYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
CH$LINK: INCHIKEY VONGZNXBKCOUHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047510

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$SPLASH: splash10-0a4l-8900000000-0f526f57eacec955c243
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 1.32 13
  43 18.46 185
  65 1.98 20
  71 30.77 308
  72 1.54 15
  77 1.1 11
  79 6.59 66
  89 1.32 13
  90 11.65 117
  91 62.42 624
  92 5.71 57
  105 1.32 13
  107 7.69 77
  108 99.99 999
  109 8.57 86
  128 1.1 11
  178 36.48 365
  179 4.62 46
//