ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000074
RECORD_TITLE: BUTYL 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$NAME: BUTYL SALICYLATE
CH$NAME: BUTYL ORTHO HYDROXY BENZOATE
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: INCHIKEY YFDUWSBGVPBWKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8062153

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$SPLASH: splash10-00di-5900000000-6067ba05f2403e53bd30
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.85 39
  29 12.59 126
  39 9.9 99
  41 12.09 121
  43 2.86 29
  53 1.76 18
  55 3.52 35
  56 2.91 29
  57 5.99 60
  63 3.3 33
  64 4.29 43
  65 11.98 120
  69 1.1 11
  71 1.65 17
  92 18.8 188
  93 7.97 80
  120 99.99 999
  121 26.72 267
  122 2.2 22
  138 22.1 221
  139 2.31 23
  194 11.71 117
  195 1.54 15
//