ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008992
RECORD_TITLE: HEXYL SALICYLATE; 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$NAME: HEXYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₃
CH$EXACT_MASS: 222.12559
CH$SMILES: CCCCCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
CH$LINK: INCHIKEY DUKPKQFHJQGTGU-UHFFFAOYSA-N

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$SPLASH: splash10-00di-6900000000-f18343c179237dba8858
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 7.84 78
  29 5.12 51
  39 10.77 108
  41 14.09 141
  42 2.82 28
  43 23.71 237
  53 2.13 21
  55 7.23 72
  56 2.74 27
  57 1.71 17
  63 2.56 26
  64 3.03 30
  65 12.5 125
  69 2.35 24
  84 1.31 13
  92 14.1 141
  93 6.46 65
  120 99.99 999
  121 28.2 282
  122 1.94 19
  138 42.02 420
  139 5.79 58
  222 13 130
  223 1.54 15
//