ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005807
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: CC(C)COC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
CH$LINK: INCHIKEY PTXDBYSCVQQBNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047186

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$SPLASH: splash10-00di-3900000000-4795995c976db79c7332
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 12.15 122
  39 1 10
  41 12.53 125
  56 1.74 17
  57 15.68 157
  65 5.5 55
  92 16.74 167
  93 3.84 38
  120 99.99 999
  121 27.46 275
  122 1.96 20
  138 29.08 291
  194 11.2 112
  195 1.04 10
//