ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006378
RECORD_TITLE: ALLYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₂
CH$EXACT_MASS: 176.08373
CH$SMILES: C=CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
CH$LINK: INCHIKEY ZCDYAMJXVAUTIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061977

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$SPLASH: splash10-0006-9000000000-10bb6fc9d1f1d1892d00
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  18 1.23 12
  27 2.88 29
  28 1.51 15
  29 1.47 15
  38 1.5 15
  39 15.45 155
  40 1.41 14
  41 26.22 262
  50 1.15 12
  51 3.2 32
  62 1.04 10
  63 4.44 44
  64 1.25 13
  65 13.69 137
  89 3.69 37
  90 2.8 28
  91 99.99 999
  92 10.76 108
  176 6.2 62
//