ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010056
RECORD_TITLE: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-2-BUTENOIC ACID ETHYL ESTER; 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$NAME: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-2-BUTENOIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₈O₅
CH$EXACT_MASS: 360.19367
CH$SMILES: CCOC(=O)C=CCC(C)(C2)Oc(c(C)1)c(C2)c(C)c(OC(C)=O)c(C)1
CH$IUPAC: InChI=1S/C21H28O5/c1-7-24-18(23)9-8-11-21(6)12-10-17-15(4)19(25-16(5)22)13(2)14(3)20(17)26-21/h8-9H,7,10-12H2,1-6H3/b9-8+
CH$LINK: INCHIKEY BZVNJQIUTBPNGK-CMDGGOBGSA-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$SPLASH: splash10-0aor-1592000000-55f49bee74a63463a6e0
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  41 2.2 22
  43 8 80
  53 2.7 27
  55 0.19 2
  67 1.6 16
  77 1.8 18
  79 2.2 22
  81 0.19 2
  91 3.8 38
  93 1.3 13
  105 1.8 18
  107 0.29 3
  109 2.1 21
  121 4.5 45
  135 3.6 36
  136 0.25 3
  152 3.3 33
  161 2.4 24
  163 1.9 19
  164 2.91 29
  165 60.4 604
  166 6.7 67
  175 1.9 19
  176 0.47 5
  177 2.5 25
  189 5.1 51
  190 2.8 28
  203 0.58 6
  204 3.6 36
  205 99.99 999
  206 14 140
  207 0.43 4
  245 1.7 17
  247 33.9 339
  248 4.7 47
  318 5.46 55
  319 11.5 115
  360 16.6 166
  361 3.7 37
//