ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000040
RECORD_TITLE: BUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL BENZOATE
CH$NAME: BENZOIC ACID BUTYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-7900000000-e982b688673f1201fce5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39 3.74 37
  41 12.02 120
  43 5.71 57
  50 2.73 27
  51 11.21 112
  55 7.07 71
  56 21.36 214
  57 7.88 79
  76 2.52 25
  77 47.47 475
  78 4.04 40
  79 10.3 103
  105 99.99 999
  106 8.08 81
  121 3.03 30
  122 12.12 121
  123 45.96 460
  124 3.54 35
//