ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000307
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-7900000000-be55c34d6b9d10825640
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 6.8 68
  28 2.1 21
  29 8.3 83
  31 0.13 1
  39 4.1 41
  41 9.9 99
  43 1.7 17
  50 0.49 5
  51 17.4 174
  52 1.2 12
  55 3.8 38
  56 2.74 27
  57 2.3 23
  74 1.2 12
  75 1.1 11
  76 0.27 3
  77 46.1 461
  78 4.2 42
  79 7.7 77
  105 99.99 999
  106 8.9 89
  107 1 10
  122 19.9 199
  123 7.49 75
  124 6 60
  135 1.6 16
  178 5.3 53
  179 1.4 14
//