MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001960

2-METHYLHEPT-6-EN-3-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001960
RECORD_TITLE: 2-METHYLHEPT-6-EN-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$NAME: 2-METHYLHEPT-6-EN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O
CH$EXACT_MASS: 126.10447
CH$SMILES: C=CCCC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h4,7H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY NJAYZISKWWQCJX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80495859

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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$SPLASH: splash10-0ab9-9000000000-44520ecf09e90d393b14
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  42 3.3 33
  43 49.22 492
  53 3.68 37
  54 1.96 20
  55 99.99 999
  56 5.16 52
  57 1.55 16
  67 1.04 10
  69 1.47 15
  70 1.33 13
  71 54.64 546
  72 3.49 35
  82 1.39 14
  83 38.36 384
  84 2.31 23
  126 5.41 54
//