ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005960
RECORD_TITLE: PHENYL ACETATE; CI-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$NAME: PHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY IPBVNPXQWQGGJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3051626

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0006-9200000000-4b4d6e5468823eb64bb2
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  77 3.17 32
  93 3.35 34
  94 99.99 999
  95 20.21 202
  96 1 10
  136 27.02 270
  137 5.44 54
//