ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008487
RECORD_TITLE: BUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0adi-8900000000-0199d0140db301102a71
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  26 1.08 11
  27 10.87 109
  29 9.54 95
  39 7.01 70
  41 12.13 121
  43 1.29 13
  50 7.45 75
  51 22.71 227
  52 1.36 14
  55 3.18 32
  56 23.47 235
  57 1.64 16
  74 1.47 15
  75 1.36 14
  76 2.82 28
  77 54.74 547
  78 3.83 38
  79 7.29 73
  105 99.99 999
  106 8.51 85
  122 15.97 160
  123 57.37 574
  124 3.62 36
  135 1.01 10
  178 1.2 12
//