ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008499
RECORD_TITLE: PROPYL 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$NAME: PROPYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
CH$LINK: INCHIKEY GXXFZZLGPFNITM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9063534

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$SPLASH: splash10-0006-9000000000-fac61fa526e9faf2280c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 10.84 108
  29 2.67 27
  38 1.04 10
  39 9.53 95
  41 12.8 128
  42 1.28 13
  43 45.23 452
  50 1.21 12
  51 2.92 29
  52 1.02 10
  63 3.66 37
  64 1.32 13
  65 15.54 155
  89 3.69 37
  90 2.9 29
  91 99.99 999
  92 20.63 206
  93 1.01 10
  105 1.05 11
  119 4.01 40
  136 9.21 92
  137 1.03 10
  178 9.16 92
//