ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008404
RECORD_TITLE: 6-METHYL-5-OCTEN-2-ONE; 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$NAME: 6-METHYL-5-OCTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O
CH$EXACT_MASS: 140.12012
CH$SMILES: CCC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C9H16O/c1-4-8(2)6-5-7-9(3)10/h6H,4-5,7H2,1-3H3/b8-6+
CH$LINK: INCHIKEY SAXWRVSDVXCTEL-SOFGYWHQSA-N

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$SPLASH: splash10-0006-9000000000-9420f6cf7aec67fc00cb
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 5.9 59
  26 1 10
  27 15.95 160
  29 11.1 111
  39 18.72 187
  40 1.92 19
  41 33.22 332
  42 4.19 42
  43 99.99 999
  44 1.99 20
  45 1.15 12
  51 2.25 23
  52 1.27 13
  53 8.26 83
  54 2.69 27
  55 59.91 599
  56 3.38 34
  57 1.71 17
  58 5.3 53
  65 1.84 18
  67 34.02 340
  68 2.27 23
  69 4.64 46
  70 6.9 69
  71 8.23 82
  77 1.57 16
  79 2.14 21
  81 6.79 68
  82 38.47 385
  83 8.85 89
  93 2.14 21
  97 2.07 21
  107 2.44 24
  111 8.82 88
  122 10.68 107
  125 1.44 14
  140 1.72 17
//