ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008987
RECORD_TITLE: BUTYL 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$NAME: BUTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
CH$LINK: CAS 2052-14-4
CH$LINK: INCHIKEY YFDUWSBGVPBWKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8062153

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$SPLASH: splash10-00di-4900000000-ecc73d6f1204d08019f2
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 1.19 12
  39 12.06 121
  41 9.43 94
  53 2.14 21
  55 1.44 14
  56 1.35 14
  57 2.37 24
  63 3.46 35
  64 3.97 40
  65 13.42 134
  66 1.15 12
  81 1.04 10
  92 19.2 192
  93 6.2 62
  120 99.99 999
  121 26.08 261
  122 1.91 19
  138 20.07 201
  139 1.96 20
  194 15.45 155
  195 1.65 17
//