MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011545

2-METHYLCYCLOPENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011545
RECORD_TITLE: 2-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$NAME: 2-METHYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CC(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
CH$LINK: INCHIKEY ZIXLDMFVRPABBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50862554

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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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-7d9ffa3bb01568e400c5
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  28 11.4 114
  29 4.1 41
  41 22.1 221
  42 99.99 999
  43 15.7 157
  54 5.8 58
  55 35.8 358
  56 17.5 175
  69 38.1 381
  70 23.5 235
  80 5.8 58
  83 13.5 135
  97 3.6 36
  98 60.9 609
  99 4.4 44
//