ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005319
RECORD_TITLE: ALLYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-646b8c316cbe73398d54
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.54 15
  38 1.1 11
  39 10.67 107
  40 1 10
  41 23.33 233
  50 1.2 12
  51 2.47 25
  63 3.14 31
  64 1.15 12
  65 11.67 117
  89 2.97 30
  90 2.2 22
  91 99.99 999
  92 12.77 128
  118 1.64 16
  119 2.48 25
  176 17.17 172
  177 2.26 23
//