ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000070
RECORD_TITLE: PROPYL 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$NAME: PROPYL SALICYLATE
CH$NAME: PROPYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
CH$LINK: INCHIKEY LZFIOSVZIQOVFW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3046790

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$SPLASH: splash10-00di-3900000000-4d485882d11bb426bbdf
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 4.09 41
  39 8.17 82
  41 2.75 28
  43 1.42 14
  63 2.66 27
  64 3.55 36
  65 9.68 97
  92 19.89 199
  93 7.02 70
  120 99.99 999
  121 26.73 267
  122 2.04 20
  138 18.56 186
  139 1.24 12
  180 15.45 155
  181 1.6 16
//