ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000076
RECORD_TITLE: ISOBUTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL SALICYLATE
CH$NAME: ISOBUTYL ORTHO HYDROXY BENZOATE
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00di-5900000000-858c13ec812ab5cbdca8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 3.25 33
  29 14.15 142
  38 1.07 11
  39 12.79 128
  41 16.6 166
  43 1.02 10
  53 2.03 20
  55 1.02 10
  56 2.28 23
  57 10.36 104
  63 3.3 33
  64 4.16 42
  65 14.16 142
  92 17.21 172
  93 8.58 86
  120 99.99 999
  121 33.25 333
  122 2.94 29
  138 28.88 289
  139 2.54 25
  194 6.35 64
  195 0.91 9
//