ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008007
RECORD_TITLE: METHYL 5-KETO-5-PHENYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 5-KETO-5-PHENYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₃
CH$EXACT_MASS: 206.09429
CH$SMILES: COC(=O)CCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
CH$LINK: INCHIKEY GRIWFUFDJOESIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90164468

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4i-4900000000-d96b4fe0b42bfbe13d77
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  31 2.5 25
  32 9.01 90
  39 1.69 17
  41 1.47 15
  42 1.94 19
  43 1.06 11
  45 1.17 12
  50 0.21 2
  51 8.83 88
  55 4.38 44
  59 3.64 36
  74 1.24 12
  75 1.46 15
  76 2.19 22
  77 37.89 379
  78 3.78 38
  91 1.54 15
  105 99.99 999
  106 7.9 79
  120 14.66 147
  121 1.47 15
  132 1.16 12
  133 3.41 34
  146 8.28 83
  147 10.27 103
  148 1.41 14
  174 3.99 40
  175 12.05 121
  176 1.63 16
  206 10.44 104
  207 1.73 17
//