ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005409
RECORD_TITLE: MESITYL OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: MESITYL OXIDE
CH$NAME: 4-METHYL-3-PENTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CC(C)=CC(C)=O
CH$IUPAC: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
CH$LINK: INCHIKEY SHOJXDKTYKFBRD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1029170

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a7i-9000000000-3661666f8de0c561e186
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 6.41 64
  26 1.45 15
  27 16.91 169
  28 2.01 20
  29 34.19 342
  38 2.51 25
  39 23.88 239
  40 2.45 25
  41 8.17 82
  42 3.02 30
  43 46.64 466
  44 1.38 14
  50 2.64 26
  51 3.52 35
  52 1.32 13
  53 10.62 106
  54 1.76 18
  55 99.99 999
  56 5.03 50
  79 1.76 18
  83 94.59 946
  84 5.34 53
  98 40.98 410
  99 4.34 43
//