MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005992

3-METHYLCYCLOPENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005992
RECORD_TITLE: 3-METHYLCYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CC(C1)CC(=O)C1
CH$IUPAC: InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY AOKRXIIIYJGNNU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40985281

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-05mo-9000000000-dde13156f41833bd22a8
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3.2 32
  26 5.9 59
  27 32.6 326
  28 4.41 44
  29 16.2 162
  37 1.7 17
  38 4.2 42
  39 3.37 34
  40 8.2 82
  41 62.2 622
  42 84.6 846
  43 0.6 6
  50 2.9 29
  51 3.4 34
  53 6.1 61
  54 0.29 3
  55 66.3 663
  56 37.7 377
  57 2.5 25
  69 99.99 999
  70 10.1 101
  83 9.5 95
  98 58.8 588
  99 4.3 43
//