ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005260
RECORD_TITLE: 1-PHENYL-2-SEC-BUTYL-1,3-BUTANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYL-2-SEC-BUTYL-1,3-BUTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: CCC(C)C(C(C)=O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-4-10(2)13(11(3)15)14(16)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3
CH$LINK: INCHIKEY KYIVSKWOJCLODL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70341194
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0bt9-2900000000-8565f76920ac76029e00
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 4.8 48
  43 13.1 131
  51 5.8 58
  57 0.27 3
  69 6.5 65
  77 27.1 271
  78 3.1 31
  91 0.31 3
  105 99.99 999
  106 8.5 85
  120 2.7 27
  129 0.22 2
  143 1.7 17
  145 1.4 14
  147 34 340
  148 0.51 5
  161 10.7 107
  162 42.2 422
  175 2.2 22
  176 0.31 3
  189 1.7 17
  191 1.4 14
  218 1.5 15
//
