ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006145
RECORD_TITLE: METHYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL PHENYLACETATE
CH$NAME: PHENYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
CH$LINK: INCHIKEY CRZQGDNQQAALAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044352

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-18e224838518b1ddae9f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  15 4.03 40
  39 1.34 13
  41 1.29 13
  59 9.18 92
  65 12.46 125
  89 1.01 10
  90 1.66 17
  91 99.99 999
  92 7.9 79
  105 1.24 12
  119 1.35 14
  150 14.69 147
  151 1.43 14
//