ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008917
RECORD_TITLE: BUTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: INCHIKEY YFDUWSBGVPBWKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8062153

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-5900000000-8c363d7b843ec30dd80a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 7.5 75
  28 1.8 18
  29 14.7 147
  38 0.24 2
  39 17.6 176
  40 1.1 11
  41 11.4 114
  50 0.11 1
  51 1.1 11
  53 2.8 28
  55 1.9 19
  56 0.21 2
  57 3.9 39
  62 1.3 13
  63 5.2 52
  64 0.63 6
  65 16.4 164
  66 1.1 11
  81 1.6 16
  92 2.23 22
  93 7.8 78
  120 99.99 999
  121 27.4 274
  123 0.25 3
  138 24.1 241
  139 2.4 24
  194 18.3 183
  195 2.4 24
//