ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004746
RECORD_TITLE: METHYL 5-METHYL-3-KETO-4-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 5-METHYL-3-KETO-4-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₃
CH$EXACT_MASS: 156.07864
CH$SMILES: COC(=O)CC(=O)C=C(C)C
CH$IUPAC: InChI=1S/C8H12O3/c1-6(2)4-7(9)5-8(10)11-3/h4H,5H2,1-3H3
CH$LINK: INCHIKEY BRUOTCVCYPVYPM-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-001i-9000000000-4c39713ab49ee8855d01
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 5.37 54
  42 2 20
  43 17.29 173
  44 6.04 60
  50 1.84 18
  51 2.71 27
  52 1.06 11
  53 7.48 75
  54 3.18 32
  55 56.77 568
  56 3.24 32
  59 1.84 18
  67 2.4 24
  69 7.51 75
  77 1.17 12
  79 1.5 15
  81 1.86 19
  82 18.15 182
  83 99.99 999
  84 5.94 59
  95 3.62 36
  96 13.1 131
  98 26.85 269
  99 2.12 21
  101 2.04 20
  123 2.28 23
  124 10.93 109
  125 2.25 23
  141 3.1 31
  156 8.28 83
//