ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009835
RECORD_TITLE: METHYL 2-OXO-4-PHENYLBUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-OXO-4-PHENYLBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)C(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY DMZGURNRYOUAGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40473092

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-052f-8900000000-8569c4608b8f498998f0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 3.1 31
  50 1.7 17
  51 7 70
  59 0.17 2
  63 2.5 25
  65 7 70
  77 13.1 131
  78 0.44 4
  79 7.8 78
  91 99.99 999
  92 7.6 76
  103 1.59 16
  104 15 150
  105 84.4 844
  106 7.8 78
  131 0.39 4
  133 40 400
  134 3.3 33
  174 12.1 121
  192 1.96 20
  193 2.3 23
//