ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002553
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9400000000-4eefa0ad170d4001c1c0
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.04 10
  27 10.9 109
  28 1.2 12
  29 1.3 13
  38 1.3 13
  39 11.88 119
  40 1.17 12
  41 11.47 115
  42 1.33 13
  43 38.45 385
  44 1.25 13
  50 2.65 27
  51 8.12 81
  52 2.43 24
  55 1.78 18
  63 4.06 41
  64 1.36 14
  65 15.03 150
  71 36.3 363
  72 1.76 18
  77 9.61 96
  78 2.6 26
  79 11.86 119
  89 5.85 59
  90 19.85 199
  91 99.99 999
  92 8.68 87
  105 3.01 30
  107 9.43 94
  108 98.15 982
  109 8.43 84
  118 1.1 11
  178 30.37 304
  179 3.83 38
//