ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003230
RECORD_TITLE: 3-BROMO-4,6-DIMETHYL-2-PYRONE; 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$NAME: 3-BROMO-4,6-DIMETHYL-2-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7BrO2
CH$EXACT_MASS: 201.96294
CH$SMILES: CC(=C1)OC(=O)C(Br)=C(C)1
CH$IUPAC: InChI=1S/C7H7BrO2/c1-4-3-5(2)10-7(9)6(4)8/h3H,1-2H3
CH$LINK: INCHIKEY PCJLUGUBXDBHFL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60344831
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0v6u-9730000000-fe7515d9d72d23fdc712
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 21 210
  41 18 180
  43 89 890
  50 23 230
  51 51 510
  52 20 200
  65 17 170
  67 95 950
  95 43 430
  123 38 380
  131 44 440
  133 38 380
  174 99.99 999
  176 95 950
  202 65 650
  204 61 610
//
