ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009870
RECORD_TITLE: 2-(3,4-DIHYDRO-6-HYDROXY-2-METHYL)-2H-1-BENZOPYRANETHANOL; 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$NAME: 2-(3,4-DIHYDRO-6-HYDROXY-2-METHYL)-2H-1-BENZOPYRANETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O3
CH$EXACT_MASS: 208.10994
CH$SMILES: OCCC(C)(C1)Oc(c2)c(cc(O)c2)C1
CH$IUPAC: InChI=1S/C12H16O3/c1-12(6-7-13)5-4-9-8-10(14)2-3-11(9)15-12/h2-3,8,13-14H,4-7H2,1H3
CH$LINK: INCHIKEY IZVREMVRDLKBEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60544894
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$SPLASH: splash10-00di-3910000000-0cb2b8d2a7ef07ec16d9
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  26 6.2 62
  27 19 190
  28 6.8 68
  39 11.5 115
  40 2.8 28
  41 12 120
  43 13.3 133
  51 4 40
  52 1.3 13
  53 7.5 75
  54 2.2 22
  55 17.3 173
  56 1.5 15
  57 3 30
  63 1.5 15
  65 7.8 78
  66 3.3 33
  67 9 90
  68 1.3 13
  69 5.5 55
  71 2 20
  77 8 80
  78 2 20
  79 4.2 42
  80 1 10
  81 3 30
  82 3.6 36
  83 1.3 13
  84 1 10
  85 17.2 172
  86 1.2 12
  91 6 60
  93 2 20
  94 17.7 177
  95 5.3 53
  103 1.2 12
  105 3 30
  106 1 10
  107 11.2 112
  108 1.2 12
  109 2 20
  110 3.8 38
  115 2.5 25
  117 1.3 13
  119 2.2 22
  121 5 50
  122 44.6 446
  123 99.99 999
  124 14 140
  125 1.6 16
  131 2.2 22
  132 1 10
  133 3.2 32
  134 4.3 43
  135 22.5 225
  136 10 100
  137 1 10
  144 1 10
  145 3 30
  146 1 10
  147 18.5 185
  148 6 60
  149 7.2 72
  150 1.8 18
  157 1.5 15
  158 1.7 17
  159 1.2 12
  160 3.2 32
  161 40.8 408
  162 11 110
  163 23.3 233
  164 5 50
  173 20.2 202
  174 5 50
  175 62.7 627
  176 11.6 116
  178 14.5 145
  179 3.2 32
  189 4.8 48
  190 24.5 245
  191 6.3 63
  206 2.5 25
  208 70.2 702
  209 19 190
//
