ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008985
RECORD_TITLE: PROPYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL SALICYLATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-6900000000-43c71bc96fc885196550
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 9.26 93
  29 1.87 19
  38 2.08 21
  39 15.21 152
  41 7.42 74
  42 1.03 10
  43 6.13 61
  53 2.88 29
  62 1.17 12
  63 4.53 45
  64 6.5 65
  65 15.4 154
  66 1.19 12
  81 1.14 11
  92 26.97 270
  93 6.93 69
  120 99.99 999
  121 26.17 262
  122 1.95 20
  138 14.75 148
  180 19.07 191
  181 1.94 19
//