ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005809
RECORD_TITLE: HEXYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00di-4910000000-39fe7de5348abbc4d8d0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 1.65 17
  41 3.97 40
  42 1.98 20
  43 27.84 278
  55 4.46 45
  56 1.88 19
  57 2.01 20
  65 1.88 19
  84 1.14 11
  92 7.74 77
  93 1 10
  104 1.13 11
  120 99.99 999
  121 16.3 163
  222 11.64 116
  223 1.62 16
//