MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008598

5-METHYL-2-HEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008598
RECORD_TITLE: 5-METHYL-2-HEXANONE; 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

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CH$NAME: 5-METHYL-2-HEXANONE
CH$NAME: ISOPENTYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C)CCC(C)=O
CH$IUPAC: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY FFWSICBKRCICMR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021914

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-40a76a6003700e807547
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 6.24 62
  26 1.05 11
  27 12.04 120
  29 6.51 65
  39 9.31 93
  41 14.37 144
  42 3.36 34
  43 99.99 999
  44 1.89 19
  53 1.32 13
  55 4.07 41
  56 3.03 30
  57 11.98 120
  58 38.6 386
  59 9.59 96
  71 7.95 80
  81 3.32 33
  114 1.82 18
//