ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008990
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
CH$LINK: CAS 87-20-7
CH$LINK: INCHIKEY PMGCQNGBLMMXEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041655

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$SPLASH: splash10-00di-9700000000-e62a29f19910b38602dc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 8.63 86
  29 5.31 53
  38 1.57 16
  39 17.1 171
  41 15.91 159
  42 4.3 43
  43 43.4 434
  53 3.62 36
  55 14.34 143
  63 5.38 54
  64 5.93 59
  65 18.84 188
  66 1.36 14
  69 1.72 17
  70 21.13 211
  71 11.21 112
  81 1.37 14
  92 18.89 189
  93 8.22 82
  120 99.99 999
  121 37.39 374
  122 2.49 25
  138 36.47 365
  139 7.62 76
  208 19.14 191
  209 2.11 21
//