ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005901
RECORD_TITLE: BUTYL BENZOATE; 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$NAME: BUTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY KYZHGEFMXZOSJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047074

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$SPLASH: splash10-0ab9-2900000000-888c6ee7964bda83f8e1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 1.93 19
  31 1.93 19
  41 5.54 55
  42 1.2 12
  43 2.17 22
  55 3.37 34
  56 37.11 371
  57 2.41 24
  73 1.2 12
  77 13.98 140
  78 1.45 15
  79 5.3 53
  105 86.99 870
  106 7.71 77
  107 1.2 12
  122 24.1 241
  123 99.99 999
  124 7.95 80
  135 1.69 17
  178 5.78 58
  179 0.96 10
//