ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004761
RECORD_TITLE: 2-OXOPROPYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-OXOPROPYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O3
CH$EXACT_MASS: 192.07864
CH$SMILES: CC(=O)COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: COMPTOX DTXSID60288726
CH$LINK: INCHIKEY MXZBBLQECZKOBV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:245441
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-00kf-9300000000-4e4725b9e9d3dc6e6521
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  40 1.91 19
  41 1.26 13
  42 34.19 342
  48 1.05 11
  49 2.55 26
  56 4.15 42
  63 3.13 31
  65 11.79 118
  71 2.13 21
  85 1.01 10
  89 3.81 38
  90 3.83 38
  91 99.99 999
  92 9.44 94
  118 48.28 483
  119 15.82 158
  120 1.35 14
  192 1.63 16
//
