ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001844
RECORD_TITLE: HEXYL 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$NAME: HEXYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0ab9-8900000000-f68dec8f8af75af595c8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5.19 52
  28 4.63 46
  29 5.52 55
  39 3.35 34
  41 10.93 109
  42 10.26 103
  43 11.32 113
  50 2.29 23
  51 13.94 139
  54 1 10
  55 13.22 132
  56 28.83 288
  57 1.78 18
  69 10.71 107
  76 1.9 19
  77 44.67 447
  78 3.29 33
  79 6.75 68
  83 1.23 12
  84 16.34 163
  85 1.12 11
  105 99.99 999
  106 7.86 79
  122 15.17 152
  123 88.23 882
  124 6.47 65
//