ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005902
RECORD_TITLE: HEXYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-4900000000-6277c2ee9ea970dca1b3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 1.43 14
  42 7.14 71
  43 5.18 52
  55 7.5 75
  56 24.29 243
  57 1.43 14
  69 8.21 82
  77 6.79 68
  79 3.75 38
  83 1.61 16
  84 23.57 236
  85 1.79 18
  105 50.18 502
  106 4.46 45
  122 13.93 139
  123 99.99 999
  124 7.86 79
  135 0.89 9
  206 4.11 41
//