ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008372
RECORD_TITLE: PHENYLETHYL PROPIONATE; 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$NAME: PHENYLETHYL PROPIONATE
CH$NAME: 2-PHENYLETHYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
CH$LINK: INCHIKEY HVGZQCSMLUDISR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6035156

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$SPLASH: splash10-0zfr-9800000000-234d53df7898caf22a51
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  26 1.02 10
  27 7.88 79
  28 2.07 21
  29 23.89 239
  39 3.36 34
  50 1.25 13
  51 4.65 47
  52 1.11 11
  57 48.76 488
  58 1.62 16
  63 2.01 20
  65 5.88 59
  77 7 70
  78 4.55 46
  79 2.91 29
  89 1.51 15
  91 11.77 118
  92 1.42 14
  103 5.29 53
  104 99.99 999
  105 15.72 157
//