ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005555
RECORD_TITLE: 2-METHYL-3-METHYLBENZOPYRAN-4-ONE (2,2,2-D3); 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$NAME: 2-METHYL-3-METHYLBENZOPYRAN-4-ONE (2,2,2-D3)
CH$NAME: 2-METHYL-3-METHYLCHROMONE (2,2,2-D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O2
CH$EXACT_MASS: 174.06808
CH$SMILES: [2H]C([2H])([2H])C(O1)=C(C)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H10O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3/i2D3
CH$LINK: INCHIKEY KQLDYIIDXBUUCK-BMSJAHLVSA-N
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$SPLASH: splash10-00b9-4900000000-9752aafadb5550594a58
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  50 13 130
  51 8 80
  52 2 20
  53 5 50
  54 2 20
  55 6 60
  56 6 60
  57 1 10
  61 2 20
  62 4 40
  63 7 70
  64 15 150
  65 15 150
  74 3 30
  75 5 50
  76 10 100
  77 11 110
  78 4 40
  79 1 10
  83 2 20
  84 2 20
  89 1 10
  90 2 20
  91 2 20
  92 37 370
  93 11 110
  94 3 30
  95 2 20
  101 1 10
  102 2 20
  103 5 50
  104 6 60
  105 5 50
  106 2 20
  107 1 10
  117 2 20
  118 1 10
  119 1 10
  120 20 200
  121 65 650
  122 32 320
  123 1 10
  130 6 60
  131 13 130
  132 8 80
  133 3 30
  146 1 10
  147 2 20
  148 13 130
  149 13 130
  158 1 10
  159 12 120
  160 6 60
  161 1 10
  174 1 10
  175 8 80
  176 35 350
  177 99.99 999
  178 25 250
  179 3 30
  180 1 10
//
