ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001938
RECORD_TITLE: 2-METHYL-2-BROMOHEPT-6-EN-3-ONE; 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$NAME: 2-METHYL-2-BROMOHEPT-6-EN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13BrO
CH$EXACT_MASS: 204.01498
CH$SMILES: C=CCCC(=O)C(C)(C)Br
CH$IUPAC: InChI=1S/C8H13BrO/c1-4-5-6-7(10)8(2,3)9/h4H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY AOWPRVPXYURVBN-UHFFFAOYSA-N
AC$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: splash10-053r-9000000000-1eab196b7c54b935db7b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42 5.63 56
  43 4.07 41
  53 2.81 28
  54 1.91 19
  55 92.69 927
  56 4.2 42
  67 1.14 11
  69 3.26 33
  70 12.97 130
  71 1.06 11
  81 1.01 10
  82 5.09 51
  83 99.99 999
  84 5.75 58
  97 1.22 12
  121 3.5 35
  123 3.22 32
  125 2.08 21
  149 1.22 12
  151 1.38 14
  204 1.46 15
  206 1.42 14
//
