MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002322

2,2,4,5-TETRAMETHYL-5-HEXEN-3-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002322
RECORD_TITLE: 2,2,4,5-TETRAMETHYL-5-HEXEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 2,2,4,5-TETRAMETHYL-5-HEXEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C(C)C(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)8(3)9(11)10(4,5)6/h8H,1H2,2-6H3
CH$LINK: INCHIKEY BBWANVSATBDGOP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11815964

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-9000000000-318e91acb68cc03c76c5
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.04 10
  27 5.93 59
  29 15.11 151
  39 9.69 97
  41 36.69 367
  42 4.14 41
  43 2.82 28
  53 2.86 29
  55 5.96 60
  56 2.32 23
  57 99.99 999
  58 6.76 68
  67 1.43 14
  69 12.56 126
  70 9.17 92
  85 25.69 257
  86 1.47 15
  97 1.1 11
  154 3.58 36
//