MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010110

6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010110
RECORD_TITLE: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉ClO₂
CH$EXACT_MASS: 230.10736
CH$SMILES: CC(=O)OCC=C(C)CCC(Cl)C(C)=C
CH$IUPAC: InChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7+
CH$LINK: INCHIKEY WPMFOBQJRQAIKY-JXMROGBWSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00kf-9200000000-7edb017d2ca3db2c1915
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 26.5 265
  43 99.99 999
  53 13.3 133
  55 1.52 15
  67 31.8 318
  68 53.6 536
  69 15.7 157
  79 1.7 17
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  81 32.2 322
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  93 29.4 294
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  119 21.8 218
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//