ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000263
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

CH$NAME: 5-METHYL-2-HEXANONE
CH$NAME: METHYL ISOAMYL 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

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-154c06a6e349e4078172
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 6.2 62
  26 1 10
  27 11.8 118
  28 0.28 3
  29 8.1 81
  39 9.4 94
  40 1.3 13
  41 1.61 16
  42 2.1 21
  43 99.99 999
  44 2.4 24
  53 0.17 2
  55 4.8 48
  56 4.6 46
  57 17.8 178
  58 5.76 58
  59 12.3 123
  71 10.4 104
  72 1.4 14
  81 0.62 6
  85 1.7 17
  86 2.2 22
  99 2.7 27
  114 1.02 10
  115 1.4 14
//