ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008405
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$SPLASH: splash10-0006-9000000000-af7e9d8d4057c9068905
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 6.02 60
  27 15.83 158
  29 11.2 112
  39 17.93 179
  40 3.1 31
  41 31.88 319
  42 4.17 42
  43 99.99 999
  44 1.71 17
  45 1.34 13
  51 2.92 29
  52 1.25 13
  53 8.59 86
  54 3.57 36
  55 59.2 592
  56 3.59 36
  57 1.69 17
  58 6.43 64
  65 1.82 18
  67 31.48 315
  68 2.63 26
  69 4.65 47
  70 7.08 71
  71 8.75 88
  77 1.45 15
  79 2.49 25
  81 6.9 69
  82 38.81 388
  83 8.82 88
  93 2 20
  97 2.36 24
  107 2.95 30
  111 8.88 89
  122 11.36 114
  123 1 10
  125 1.51 15
  140 1.91 19
//