ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010122
RECORD_TITLE: 2-CARBOXYMETHYL-6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-CARBOXYMETHYL-6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13ClO3
CH$EXACT_MASS: 240.05532
CH$SMILES: OC(=O)CC(C)(C2)Oc(c1)c(C2)cc(Cl)c1
CH$IUPAC: InChI=1S/C12H13ClO3/c1-12(7-11(14)15)5-4-8-6-9(13)2-3-10(8)16-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
CH$LINK: INCHIKEY QFDFXSNSTAWKAN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0006-2940000000-10435afad01b4956b0fd
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  27 5 50
  28 2 20
  29 4 40
  39 0.9 9
  41 8 80
  43 11 110
  45 4 40
  50 0.3 3
  51 11 110
  52 2 20
  53 4 40
  55 0.6 6
  63 6 60
  65 4 40
  71 2 20
  72 0.2 2
  73 3 30
  75 6 60
  76 2 20
  77 2.8 28
  78 5 50
  79 2 20
  82 11 110
  89 0.5 5
  91 6 60
  99 6 60
  100 2 20
  101 0.3 3
  102 3 30
  103 2 20
  105 2 20
  111 0.2 2
  112 11 110
  113 4 40
  114 4 40
  115 0.8 8
  116 2 20
  117 2 20
  125 8 80
  127 0.5 5
  128 6 60
  129 2 20
  130 2 20
  131 0.5 5
  140 8 80
  141 99.99 999
  142 11 110
  143 3.2 32
  144 8 80
  145 11 110
  146 0.9 9
  152 4 40
  153 6 60
  154 4 40
  155 0.3 3
  158 2 20
  159 32 320
  160 5 50
  165 2.3 23
  166 3 30
  167 8 80
  168 2 20
  177 0.6 6
  178 2 20
  179 19 190
  180 13 130
  181 2.8 28
  182 6 60
  183 8 80
  187 9 90
  193 0.6 6
  194 12 120
  195 4 40
  196 4 40
  204 0.3 3
  205 2 20
  207 17 170
  208 2 20
  209 0.7 7
  222 43 430
  223 6 60
  224 15 150
  225 0.2 2
  240 65 650
  241 9 90
  242 22 220
  243 2 20
//
