MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011338

2-METHYLCYCLOPENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011338
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 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-6fe195a9eefd663b40ac
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  26 5.4 54
  27 24.8 248
  28 19.3 193
  29 9.9 99
  38 3.9 39
  39 21.7 217
  40 6.7 67
  41 40.2 402
  42 99.99 999
  43 13 130
  53 4.2 42
  54 4.7 47
  55 33 330
  56 14 140
  69 28.5 285
  70 18.7 187
  80 4.3 43
  83 9.9 99
  97 2.8 28
  98 35.2 352
  99 3.3 33
//