ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006415
RECORD_TITLE: BENZYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9300000000-360016726e255d4d2859
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 12.28 123
  28 1.35 14
  29 2.18 22
  38 1.08 11
  39 12.64 126
  40 1.2 12
  41 13.06 131
  42 2.2 22
  43 32.23 322
  44 1.01 10
  50 2.27 23
  51 8.8 88
  52 2.02 20
  55 1.33 13
  63 3.6 36
  64 1.29 13
  65 15.03 150
  71 26.67 267
  72 1.03 10
  77 11.09 111
  78 2.53 25
  79 10.63 106
  89 6.32 63
  90 18.23 182
  91 99.99 999
  92 8.61 86
  105 2.68 27
  107 7.81 78
  108 79.4 794
  109 6.07 61
  178 21.02 210
  179 2.26 23
//