ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008988
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL SALICYLATE
CH$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$LINK: CAS 87-19-4
CH$LINK: INCHIKEY PTXDBYSCVQQBNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047186

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$SPLASH: splash10-00di-5900000000-246d919341a3efd623a4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 5.68 57
  29 6.1 61
  38 1.62 16
  39 15.63 156
  41 13.66 137
  43 2.61 26
  53 2.35 24
  55 1.47 15
  56 1.7 17
  57 9.94 99
  63 3.93 39
  64 5 50
  65 15.8 158
  66 1.22 12
  92 17.23 172
  93 7.43 74
  120 99.99 999
  121 33.67 337
  122 2.55 26
  138 29.65 297
  139 2.52 25
  194 12.61 126
  195 1.5 15
//