ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003225
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: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
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$LINK: COMPTOX DTXSID60344831
CH$LINK: INCHIKEY PCJLUGUBXDBHFL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:599820
AC$INSTRUMENT: HITACHI RMU-6D
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: splash10-0v6r-9820000000-f4eb31c315c5dde50d98
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  36 5 50
  37 11 110
  38 10 100
  39 19 190
  40 5 50
  41 17 170
  42 7 70
  43 89 890
  47 5 50
  49 7 70
  50 21 210
  51 50 500
  52 19 190
  53 9 90
  64 6 60
  65 15 150
  66 9 90
  67 95 950
  68 6 60
  76 6 60
  86 5 50
  95 43 430
  104 5 50
  116 11 110
  117 5 50
  118 11 110
  119 5 50
  123 36 360
  124 5 50
  131 43 430
  132 6 60
  133 38 380
  159 9 90
  160 6 60
  161 8 80
  162 6 60
  173 6 60
  174 99.99 999
  175 15 150
  176 97 970
  177 9 90
  187 5 50
  189 4 40
  201 5 50
  202 67 670
  203 7 70
  204 63 630
  205 6 60
//
