ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008545
RECORD_TITLE: PARA-CRESYL PHENYLACETATE; 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$NAME: PARA-CRESYL PHENYLACETATE
CH$NAME: PHENYLACETIC ACID PARA-CRESYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: Cc(c2)ccc(c2)OC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY OJEQSSJFSNLMLB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7051509

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$SPLASH: splash10-014l-9700000000-76bc90418ec85695d94a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 2.59 26
  28 1.89 19
  39 7.6 76
  41 2.14 21
  50 2.21 22
  51 5.66 57
  52 3.05 31
  53 2.67 27
  63 4.77 48
  64 1.49 15
  65 14.74 147
  77 9.23 92
  78 3.54 35
  79 3.58 36
  89 5.08 51
  90 9.46 95
  91 84.76 848
  92 6.22 62
  107 6.88 69
  108 27.86 279
  109 2.17 22
  118 99.99 999
  119 8 80
  226 2.25 23
//