ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009968
RECORD_TITLE: 2-(2-ISOPROPOXYCARBONYLETHYL)-6-HYDROXY-2,5,7,8-TETRAMETHYL-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$NAME: 2-(2-ISOPROPOXYCARBONYLETHYL)-6-HYDROXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O4
CH$EXACT_MASS: 320.19876
CH$SMILES: CC(C)OC(=O)CCC(C)(C2)Oc(c(C)1)c(C2)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C19H28O4/c1-11(2)22-16(20)8-10-19(6)9-7-15-14(5)17(21)12(3)13(4)18(15)23-19/h11,21H,7-10H2,1-6H3
CH$LINK: INCHIKEY PWRAYOPGCFLHSF-UHFFFAOYSA-N
AC$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: splash10-02t9-2922000000-36e66a33d3640db199c8
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  27 1.6 16
  28 3.1 31
  29 0.8 8
  31 0.05 1
  32 0.8 8
  39 1.6 16
  41 5 50
  42 0.03 0
  43 8.1 81
  51 0.8 8
  52 0.6 6
  53 0.22 2
  54 0.5 5
  55 3.1 31
  57 0.3 3
  59 0.03 0
  65 0.6 6
  66 0.3 3
  67 1.9 19
  69 0.19 2
  70 0.3 3
  71 0.6 6
  73 0.9 9
  77 0.17 2
  78 0.6 6
  79 1.9 19
  80 0.5 5
  81 0.16 2
  82 0.5 5
  83 1.3 13
  85 0.3 3
  91 0.3 3
  92 0.3 3
  93 1.3 13
  95 1.6 16
  96 0.05 1
  97 3.8 38
  102 0.5 5
  103 0.5 5
  104 0.03 0
  105 1.1 11
  107 1.4 14
  109 0.5 5
  110 0.08 1
  111 0.3 3
  113 0.3 3
  115 1.6 16
  117 0.05 1
  119 0.3 3
  121 4.7 47
  122 1.4 14
  130 0.28 3
  131 0.8 8
  132 0.6 6
  135 2.8 28
  136 0.45 5
  137 2.2 22
  139 0.5 5
  146 0.3 3
  147 0.03 0
  148 0.3 3
  149 1.4 14
  151 3.1 31
  152 0.53 5
  153 0.6 6
  159 0.6 6
  161 1.1 11
  162 0.13 1
  163 1.4 14
  164 44.7 447
  165 99.99 999
  166 1.14 11
  167 0.3 3
  175 1.9 19
  176 0.5 5
  177 0.31 3
  178 0.3 3
  179 0.3 3
  189 2.2 22
  190 0.13 1
  202 0.5 5
  203 4.5 45
  204 1.6 16
  205 0.63 6
  206 0.5 5
  217 1.4 14
  218 1.4 14
  231 0.17 2
  232 5.2 52
  233 0.3 3
  243 2 20
  245 0.06 1
  259 1.6 16
  260 6.4 64
  261 15.3 153
  262 0.2 2
  263 0.3 3
  277 0.9 9
  278 17.2 172
  279 0.31 3
  320 41.9 419
  321 9.1 91
  322 1.1 11
//
