ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009936
RECORD_TITLE: 2-(2-ACETOXYETHYL)-3,4-DIHYDRO-6-HYDROXY-2,5,7-TRIMETHYL-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$NAME: 2-(2-ACETOXYETHYL)-3,4-DIHYDRO-6-HYDROXY-2,5,7-TRIMETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O4
CH$EXACT_MASS: 278.15181
CH$SMILES: CC(=O)OCCC(C)(C2)Oc(c1)c(C2)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C16H22O4/c1-10-9-14-13(11(2)15(10)18)5-6-16(4,20-14)7-8-19-12(3)17/h9,18H,5-8H2,1-4H3
CH$LINK: INCHIKEY FMRLOVBRAMDRIK-UHFFFAOYSA-N
AC$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: splash10-0ufr-2940000000-638026b1ca89a979aca7
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 1.6 16
  29 1.4 14
  39 3 30
  41 0.61 6
  43 29.5 295
  53 3.4 34
  55 4.7 47
  65 0.16 2
  67 3.3 33
  68 0.8 8
  69 5 50
  77 0.5 5
  78 0.8 8
  79 3.9 39
  81 2.7 27
  85 0.3 3
  91 6.1 61
  93 2 20
  94 1.3 13
  95 0.11 1
  103 1.1 11
  105 1.7 17
  107 6.9 69
  108 0.13 1
  109 0.6 6
  115 1.3 13
  119 1.3 13
  121 0.45 5
  122 10.9 109
  123 2.7 27
  131 0.8 8
  133 0.09 1
  135 3.8 38
  137 1.1 11
  138 2 20
  145 0.13 1
  146 0.8 8
  147 1.4 14
  148 1.3 13
  149 0.17 2
  150 77.3 773
  151 99.99 999
  152 9.8 98
  161 0.36 4
  162 5 50
  163 16.9 169
  164 2.3 23
  173 0.14 1
  174 1.6 16
  175 14.7 147
  176 4.4 44
  177 0.17 2
  188 1.7 17
  189 28.1 281
  190 10.3 103
  191 1.02 10
  192 0.6 6
  201 5.5 55
  202 1.6 16
  203 1.92 19
  204 2.8 28
  205 0.5 5
  206 1.1 11
  217 0.3 3
  218 42 420
  219 6.3 63
  220 0.5 5
  236 0.34 3
  278 64.1 641
  279 10.9 109
  280 1.6 16
//
