ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010074
RECORD_TITLE: 6-ACETOXY-2,5,7,8-TETRAMETHYL-2-(2-PHENYLTHIOETHYL)-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$NAME: 6-ACETOXY-2,5,7,8-TETRAMETHYL-2-(2-PHENYLTHIOETHYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₈O₃S
CH$EXACT_MASS: 384.17592
CH$SMILES: CC(=O)Oc(c(C)1)c(C)c(C2)c(OC(C)(CCSc(c3)cccc3)C2)c(C)1
CH$IUPAC: InChI=1S/C23H28O3S/c1-15-16(2)22-20(17(3)21(15)25-18(4)24)11-12-23(5,26-22)13-14-27-19-9-7-6-8-10-19/h6-10H,11-14H2,1-5H3
CH$LINK: INCHIKEY XZRSZKHNRBOICQ-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$SPLASH: splash10-00l6-1819000000-a56bb094cfd05b571c6d
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  41 2.6 26
  43 10.3 103
  45 8 80
  53 0.28 3
  55 3 30
  65 1 10
  67 2 20
  77 0.37 4
  79 3.4 34
  81 1.1 11
  91 5.6 56
  93 0.28 3
  105 1.9 19
  107 2.6 26
  109 2.6 26
  119 0.17 2
  121 5.1 51
  123 29.6 296
  124 2.3 23
  135 0.37 4
  136 3.2 32
  137 2.2 22
  147 1 10
  149 0.22 2
  151 0.9 9
  152 0.9 9
  159 1 10
  161 0.18 2
  163 1.8 18
  164 47.6 476
  165 68.3 683
  166 0.74 7
  171 3 30
  175 2.4 24
  176 1.5 15
  177 1.01 10
  178 2.4 24
  189 5 50
  190 2.4 24
  191 0.15 2
  203 7.5 75
  204 2.3 23
  205 9.2 92
  207 0.95 10
  216 1 10
  217 2.3 23
  231 5.9 59
  232 4.71 47
  233 9 90
  247 3.4 34
  342 99.99 999
  343 0.23 2
  344 7.4 74
  384 79.3 793
  385 20.2 202
  386 6.2 62
//