ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007035
RECORD_TITLE: 6-METHYL-5-HEPTEN-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$NAME: 6-METHYL-5-HEPTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O
CH$EXACT_MASS: 126.10447
CH$SMILES: CC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
CH$LINK: INCHIKEY UHEPJGULSIKKTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021629

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$SPLASH: splash10-0006-9000000000-52448d8f5e75dfce2601
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 6.41 64
  26 1.07 11
  27 15.96 160
  29 6.85 69
  38 1.39 14
  39 22.47 225
  40 2.93 29
  41 54.76 548
  42 5.48 55
  43 99.99 999
  44 1.72 17
  45 1.03 10
  50 1.29 13
  51 2.59 26
  52 1.19 12
  53 9.08 91
  54 1.22 12
  55 31.79 318
  56 7.54 75
  57 1.28 13
  58 15.4 154
  65 1.52 15
  67 11.87 119
  68 12.52 125
  69 30.62 306
  70 1.52 15
  71 11.74 117
  77 1.41 14
  79 1.02 10
  81 1.39 14
  82 1.31 13
  83 6.62 66
  93 7.76 78
  108 20.74 207
  109 1.64 16
  111 11.68 117
  126 6.05 61
//