MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007563

MYRCENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007563
RECORD_TITLE: MYRCENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: MYRCENE
CH$NAME: 7-METHYL-3-METHYLENE-1,6-OCTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: C=CC(=C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
CH$LINK: CAS 123-35-3
CH$LINK: INCHIKEY UAHWPYUMFXYFJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025692

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00kf-9000000000-94249d5850d02862868d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  55 2.34 23
  67 5.66 57
  69 52 520
  77 7.8 78
  79 10.23 102
  93 58.1 581
  94 10.63 106
  107 2.92 29
  121 4.88 49
  136 3.95 40
//