ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003141
RECORD_TITLE: N-HEXYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-HEXYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0ab9-9800000000-75cd7a93b063fca7a7df
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  51 8 80
  55 31 310
  56 50 500
  57 11 110
  69 17 170
  77 45 450
  83 6 60
  84 31 310
  85 32 320
  105 99.99 999
  106 8 80
  122 16 160
  123 95 950
  124 7 70
  186 3 30
  206 2 20
//