ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009833
RECORD_TITLE: METHYL 3-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$NAME: METHYL 3-OXO-4-PHENYLBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₃
CH$EXACT_MASS: 192.07864
CH$SMILES: COC(=O)CC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY DTMSEOVTDVSPDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40375082

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$SPLASH: splash10-0006-8900000000-149901ee6791bf9813f3
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 4.7 47
  42 1 10
  45 4.5 45
  50 0.23 2
  51 8.7 87
  52 1.8 18
  62 1.2 12
  63 0.42 4
  64 1.5 15
  65 9.2 92
  66 1.3 13
  73 0.18 2
  74 1.3 13
  75 1.2 12
  76 1.4 14
  77 1.84 18
  78 1.6 16
  79 1.2 12
  89 4.7 47
  90 0.55 6
  91 93.3 933
  92 7.3 73
  102 13.1 131
  103 2.06 21
  104 4.7 47
  105 12.8 128
  118 2.8 28
  119 3.72 37
  120 3.6 36
  131 1.4 14
  132 1 10
  133 0.75 8
  134 7.5 75
  161 1 10
  192 99.99 999
  193 1.23 12
  194 1.5 15
//