ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005635
RECORD_TITLE: ALLYL 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$NAME: ALLYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₃
CH$EXACT_MASS: 178.06299
CH$SMILES: C=CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H10O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6,11H,1,7H2
CH$LINK: INCHIKEY YYKBLDCLPBWOOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3065089

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$SPLASH: splash10-00dl-6900000000-a2d6b77dc8ae3072385d
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 8.32 83
  41 82.44 824
  64 1.96 20
  65 13.69 137
  92 36.56 366
  93 9.08 91
  105 3.82 38
  120 99.99 999
  121 69.22 692
  122 5.84 58
  131 1.1 11
  132 3.08 31
  133 1 10
  160 2.2 22
  178 27.68 277
  179 1.89 19
//