ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009949
RECORD_TITLE: 3,4-DIHYDRO-7-HYDROXY-2-(2-HYDROXYETHYL)-6-HEXYL-2-METHYL-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$NAME: 3,4-DIHYDRO-7-HYDROXY-2-(2-HYDROXYETHYL)-6-HEXYL-2-METHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H28O3
CH$EXACT_MASS: 292.20384
CH$SMILES: CCCCCCc(c1)c(O)cc(O2)c(CCC(C)(CCO)2)1
CH$IUPAC: InChI=1S/C18H28O3/c1-3-4-5-6-7-14-12-15-8-9-18(2,10-11-19)21-17(15)13-16(14)20/h12-13,19-20H,3-11H2,1-2H3
CH$LINK: INCHIKEY GSSPKHFHVBRYGV-UHFFFAOYSA-N
AC$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: splash10-0pb9-2390000000-a71c3f2b1d0f9d2203cb
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  27 1.9 19
  29 3.1 31
  31 0.5 5
  39 0.16 2
  41 9.7 97
  43 17.3 173
  51 0.5 5
  53 0.16 2
  55 7.8 78
  57 1.6 16
  65 1.3 13
  66 0.08 1
  67 2.8 28
  68 1.6 16
  69 12.2 122
  71 0.08 1
  77 4.5 45
  78 1.6 16
  79 4.5 45
  80 0.08 1
  81 4.4 44
  83 0.8 8
  85 5 50
  91 0.31 3
  93 1.6 16
  94 0.8 8
  95 1.6 16
  97 0.08 1
  103 1.6 16
  105 1.6 16
  107 3.1 31
  108 0.23 2
  109 1.3 13
  111 0.6 6
  115 0.6 6
  117 0.08 1
  119 0.8 8
  121 1.3 13
  122 1.3 13
  123 0.7 7
  124 0.2 2
  128 0.3 3
  129 0.6 6
  131 0.08 1
  132 0.3 3
  133 0.8 8
  135 20 200
  136 1.02 10
  137 9.1 91
  138 0.6 6
  143 0.6 6
  144 0.06 1
  145 0.8 8
  146 0.6 6
  147 3.4 34
  149 0.63 6
  150 1.6 16
  151 9.2 92
  152 7 70
  157 0.05 1
  159 2.3 23
  160 1.6 16
  161 5 50
  162 0.16 2
  163 8.1 81
  164 1.6 16
  165 0.8 8
  173 0.16 2
  174 2.3 23
  175 4.7 47
  177 1.9 19
  178 0.08 1
  185 1.9 19
  187 1.6 16
  188 1.6 16
  189 0.63 6
  191 6.3 63
  192 1.3 13
  193 0.8 8
  194 0.16 2
  201 2.3 23
  202 3.1 31
  203 57.8 578
  204 0.78 8
  205 3.9 39
  206 3.1 31
  207 99.99 999
  208 1.41 14
  209 1.6 16
  218 0.8 8
  219 4.7 47
  220 0.06 1
  221 19.5 195
  222 4.7 47
  223 0.8 8
  227 0.05 1
  231 0.8 8
  232 0.8 8
  241 0.5 5
  245 1.33 13
  246 3.1 31
  247 8.6 86
  248 1.3 13
  249 0.06 1
  255 0.8 8
  257 1.6 16
  258 0.8 8
  259 0.66 7
  260 1.6 16
  263 5.9 59
  264 0.6 6
  270 0.13 1
  271 0.6 6
  273 1.6 16
  274 4.7 47
  275 2.3 23
  286 0.05 1
  288 2.8 28
  289 1.6 16
  290 6.3 63
  291 0.23 2
  292 0.3 3
  293 9.1 91
  304 0.5 5
  334 0.59 6
  335 1.3 13
//
