ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008989
RECORD_TITLE: AMYL 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$NAME: AMYL SALICYLATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-5900000000-88d42e919ce3ddaf593c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 1.14 11
  39 13.09 131
  41 12.2 122
  42 2.96 30
  43 17.19 172
  53 2.28 23
  55 6.44 64
  63 2.96 30
  64 3.97 40
  65 13.83 138
  66 1.08 11
  70 1.77 18
  92 16.63 166
  93 6.3 63
  120 99.99 999
  121 26.52 265
  122 1.76 18
  138 29.65 297
  139 3.01 30
  208 12.46 125
  209 1.4 14
//