MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007766

6-PENTYL-ALPHA-PYRONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007766
RECORD_TITLE: 6-PENTYL-ALPHA-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 6-PENTYL-ALPHA-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CCCCCC(=C1)OC(=O)C=C1
CH$IUPAC: InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
CH$LINK: INCHIKEY MAUFTTLGOUBZNA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047589

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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$SPLASH: splash10-00ls-9200000000-5014144ac4670f88c240
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 2.1 21
  39 22.45 225
  41 3.18 32
  43 4.16 42
  53 2.12 21
  55 4.25 43
  67 2.13 21
  68 33.83 338
  69 2.05 21
  81 51.15 512
  82 51.55 516
  94 4.24 42
  95 99.99 999
  96 6.88 69
  109 1 10
  110 39.52 395
  111 1.98 20
  129 4.23 42
  138 11.57 116
  166 20.15 202
  167 1.22 12
//