ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004760
RECORD_TITLE: 1-PHENYL-1,4-PENTANEDIONE; 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$NAME: 1-PHENYL-1,4-PENTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: CC(=O)CCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: CAS 583-05-1
CH$LINK: COMPTOX DTXSID90207021
CH$LINK: INCHIKEY RBLXWIPBPPVLPU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:136371
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-3900000000-833d98f53f0115f00be5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43 17.96 180
  50 3.32 33
  51 12.46 125
  55 2.79 28
  63 1.39 14
  76 1.78 18
  77 37.95 380
  78 3.36 34
  79 1.99 20
  105 99.99 999
  106 7.75 78
  115 8.61 86
  116 1.32 13
  128 1.98 20
  129 2.6 26
  131 1.68 17
  133 8.78 88
  134 4 40
  157 9.09 91
  158 20.29 203
  159 3.78 38
  161 14.2 142
  162 1.51 15
  174 1.48 15
  176 5.13 51
//
