ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007045
RECORD_TITLE: 6-METHYL-3-HEPTANONE; 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$NAME: 6-METHYL-3-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O
CH$EXACT_MASS: 128.12012
CH$SMILES: CCC(=O)CCC(C)C
CH$IUPAC: InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: COMPTOX DTXSID20211454
CH$LINK: INCHIKEY CCCIYAQYQZQDIZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12210

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$SPLASH: splash10-05bf-9000000000-1c93e80f0d0966d81013
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 2.42 24
  26 2.8 28
  27 38.97 390
  28 3.17 32
  29 71.27 713
  30 1.29 13
  39 16.14 161
  41 29.83 298
  42 5 50
  43 85.15 852
  44 2.36 24
  51 1.12 11
  53 2.91 29
  54 1.06 11
  55 9.97 100
  56 4.55 46
  57 99.99 999
  58 2.15 22
  71 20.01 200
  72 52.42 524
  73 5.87 59
  81 28.25 283
  82 1.54 15
  85 3.08 31
  99 16.19 162
  100 1.05 11
  128 7.61 76
//