ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008597
RECORD_TITLE: 2,3-NONANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-NONANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCCC(=O)C(C)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-9(11)8(2)10/h3-7H2,1-2H3
CH$LINK: INCHIKEY WNVKJGIJHKADAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90601661
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-2cbbffc2c3b98a8f3a86
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 4.93 49
  27 12.46 125
  29 11.37 114
  39 7.02 70
  41 19.91 199
  42 4.98 50
  43 99.99 999
  44 2.45 25
  53 1.05 11
  55 6.19 62
  56 1.11 11
  57 10.61 106
  69 1.29 13
  85 11.78 118
  95 1.36 14
  113 20.46 205
  114 1.2 12
//
