ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008492
RECORD_TITLE: HEXYL 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$NAME: HEXYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
CH$LINK: INCHIKEY UUGLJVMIFJNVFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025403

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$SPLASH: splash10-0ab9-9800000000-dfb349b635d78bc84bca
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 10.19 102
  29 9.12 91
  39 6.8 68
  41 17.23 172
  42 9.74 97
  43 13.12 131
  50 3.93 39
  51 18.41 184
  52 1.06 11
  53 1.27 13
  54 1.25 13
  55 13.63 136
  56 24.26 243
  57 1.56 16
  69 8.51 85
  76 2.78 28
  77 53.6 536
  78 3.61 36
  79 7.45 75
  83 1.24 12
  84 15.63 156
  105 99.99 999
  106 7.92 79
  122 15.57 156
  123 84.36 844
  124 6.65 67
  206 1.12 11
//