MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009757

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009757
RECORD_TITLE: 5-METHYL-2-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 5-METHYL-2-HEXANONE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4l-9000000000-b38c5127376d7279ee3b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  29 3.2 32
  41 6 60
  42 1 10
  43 99.99 999
  44 2.6 26
  55 3.2 32
  56 6 60
  57 2.8 28
  58 91.3 913
  59 24.3 243
  60 1.4 14
  70 0.12 1
  71 16.7 167
  72 2.4 24
  81 8.3 83
  85 0.36 4
  86 3 30
  99 5.4 54
  114 13.9 139
  115 1.6 16
//