ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004926
RECORD_TITLE: BUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS 136-60-7
CH$LINK: INCHIKEY KYZHGEFMXZOSJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047074

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0ab9-5900000000-f47e935b7d9fd061c4df
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  40 3.09 31
  50 3.64 36
  51 13.91 139
  52 1.11 11
  55 4.35 44
  56 30.56 306
  57 2.16 22
  73 1.02 10
  76 2.53 25
  77 42.29 423
  78 3.57 36
  79 5.49 55
  105 99.99 999
  106 8.83 88
  122 17.19 172
  123 64.14 641
  124 5.16 52
  135 1.31 13
  178 1.52 15
//