ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010038
RECORD_TITLE: 2-(2-ACETOXYETHYL)-6-HEXYL-7-HYDROXY-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$NAME: 2-(2-ACETOXYETHYL)-6-HEXYL-7-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H30O4
CH$EXACT_MASS: 334.21441
CH$SMILES: CCCCCCc(c1)c(O)cc(O2)c(CCC(C)(CCOC(C)=O)2)1
CH$IUPAC: InChI=1S/C20H30O4/c1-4-5-6-7-8-16-13-17-9-10-20(3,11-12-23-15(2)21)24-19(17)14-18(16)22/h13-14,22H,4-12H2,1-3H3
CH$LINK: INCHIKEY CZDAYPXTPJELBJ-UHFFFAOYSA-N
AC$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: splash10-0pb9-2391000000-1a0e6822cffe491964a6
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  27 1.99 20
  29 3.93 39
  39 1.61 16
  41 7.75 78
  43 26.78 268
  53 1.88 19
  55 7.09 71
  57 2.05 21
  65 1.38 14
  67 2.74 27
  69 11.34 113
  77 2.88 29
  79 3.82 38
  81 5.01 50
  83 2.2 22
  85 1.43 14
  91 3.65 37
  93 2.55 26
  95 1.38 14
  97 1.75 18
  98 1.75 18
  105 1.64 16
  107 3.29 33
  108 1.97 20
  119 1.28 13
  121 1.63 16
  123 5.48 55
  133 2 20
  135 9.13 91
  136 5.67 57
  137 5.39 54
  145 1.72 17
  147 4.64 46
  148 2.19 22
  149 6.03 60
  159 1.47 15
  160 1.46 15
  161 5.48 55
  162 1.32 13
  163 9.73 97
  164 1.47 15
  173 1.44 14
  174 2.43 24
  175 7.96 80
  176 1.49 15
  177 3.99 40
  185 2.07 21
  187 1.46 15
  188 1.74 17
  189 12.04 120
  190 1.25 13
  191 1.8 18
  194 2.32 23
  195 1.5 15
  202 1.58 16
  203 67.31 673
  204 9.82 98
  205 4.37 44
  206 2.65 27
  207 99.99 999
  208 14.99 150
  209 1.71 17
  219 4.96 50
  221 7.97 80
  222 1.19 12
  231 3.04 30
  233 1.8 18
  243 1.33 13
  245 14.08 141
  246 4.62 46
  247 11.98 120
  248 2.33 23
  257 3.23 32
  259 17.12 171
  260 3.85 39
  263 15.57 156
  264 2.62 26
  273 3.05 31
  274 9.82 98
  275 6.23 62
  277 3.26 33
  289 2.22 22
  290 1.52 15
  292 9.51 95
  293 1.8 18
  334 36.63 366
  335 7.96 80
  336 1.43 14
//
