ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008997
RECORD_TITLE: PHENYLETHYL 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$NAME: PHENYLETHYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃
CH$EXACT_MASS: 242.09429
CH$SMILES: Oc(c2)c(ccc2)C(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
CH$LINK: INCHIKEY YNMSDIQQNIRGDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052592

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$SPLASH: splash10-0pb9-4900000000-eadf56160c35c6a08145
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 2.69 27
  38 1.63 16
  39 13.79 138
  50 1.89 19
  51 6.45 65
  52 1.45 15
  53 2.46 25
  62 1.2 12
  63 6.18 62
  64 4.91 49
  65 21.58 216
  66 1.42 14
  77 14.5 145
  78 6.25 63
  79 12.29 123
  89 1.24 12
  91 12.78 128
  92 13.36 134
  93 8.66 87
  103 8.83 88
  104 84.35 844
  105 99.99 999
  106 8.47 85
  120 16.82 168
  121 32.29 323
  122 2.26 23
  138 8.47 85
  242 6.08 61
//