ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005648
RECORD_TITLE: PENTYL 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$NAME: PENTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CCCCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
CH$LINK: INCHIKEY RANVDUNFZBMTBK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9029227

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$SPLASH: splash10-00di-3900000000-94088473a822420e5d55
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 2.38 24
  41 2.4 24
  42 1 10
  43 21.94 219
  55 5.72 57
  65 3.66 37
  77 1.02 10
  79 1.02 10
  92 12.21 122
  93 1.83 18
  120 99.99 999
  121 19.4 194
  122 1.02 10
  138 27.48 275
  139 3.02 30
  208 11.41 114
  209 1.26 13
//