ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005554
RECORD_TITLE: 2,3-DIMETHYLBENZOPYRAN-4-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$NAME: 2,3-DIMETHYLBENZOPYRAN-4-ONE
CH$NAME: 2,3-DIMETHYLCHROMONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O2
CH$EXACT_MASS: 174.06808
CH$SMILES: CC(O1)=C(C)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H10O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3
CH$LINK: INCHIKEY KQLDYIIDXBUUCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50327491
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-00di-9800000000-ce02fa82faf5ba848c30
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  49 2 20
  50 25 250
  51 23 230
  52 4 40
  53 26 260
  54 2 20
  55 8 80
  61 5 50
  62 11 110
  63 37 370
  64 35 350
  65 27 270
  66 3 30
  67 3 30
  68 1 10
  72 1 10
  73 4 40
  74 10 100
  75 15 150
  76 17 170
  77 2 20
  78 1 10
  81 3 30
  82 1 10
  83 2 20
  87 5 50
  88 1 10
  89 4 40
  90 1 10
  91 8 80
  92 40 400
  93 13 130
  94 8 80
  101 1 10
  102 3 30
  103 8 80
  104 7 70
  105 7 70
  115 6 60
  116 1 10
  117 2 20
  118 1 10
  119 1 10
  120 19 190
  121 73 730
  122 9 90
  123 2 20
  130 1 10
  131 19 190
  132 6 60
  133 1 10
  145 22 220
  146 7 70
  147 5 50
  148 2 20
  159 18 180
  160 3 30
  163 5 50
  173 5 50
  174 99.99 999
  175 10 100
  176 2 20
//
