ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002121
RECORD_TITLE: PHENYLACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9200000000-389b3d6431858f4110c9
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 2.53 25
  28 1 10
  31 1.05 11
  39 5.83 58
  41 1 10
  50 1.05 11
  51 2.39 24
  59 5.73 57
  63 3.34 33
  65 12.05 121
  77 1 10
  89 3.82 38
  90 2.63 26
  91 99.99 999
  92 7.64 76
  105 1.48 15
  118 2.15 22
  119 1.58 16
  150 30.05 301
  151 2.87 29
//