ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005315
RECORD_TITLE: METHYL 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$NAME: METHYL PHENYLACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9200000000-eeeabb5445489ab0953b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 4.77 48
  38 1.34 13
  39 7.57 76
  41 2.07 21
  45 1.55 16
  50 1.86 19
  51 3.39 34
  52 1.04 10
  59 6.94 69
  62 1.55 16
  63 4.87 49
  64 1.45 15
  65 12.44 124
  77 1.14 11
  89 4.04 40
  90 2.8 28
  91 99.99 999
  92 7.67 77
  105 1.24 12
  118 1.24 12
  119 2.49 25
  150 31.42 314
  151 3.11 31
//