ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005806
RECORD_TITLE: BUTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3900000000-efe18a9589df0537f04f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 13.86 139
  39 1.2 12
  41 12.72 127
  55 1.08 11
  56 3.74 37
  57 7.22 72
  65 6.28 63
  91 1.02 10
  92 24.35 244
  93 5.73 57
  120 99.99 999
  121 35.56 356
  122 2.15 22
  138 34.06 341
  139 3.64 36
  194 20.36 204
  195 2.18 22
//
