ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008938
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
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
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-066v-9000000000-170a6c9bb0b63548bb22
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 1.5 15
  28 21.4 214
  29 4.8 48
  39 0.21 2
  40 1.8 18
  41 28.5 285
  42 61.2 612
  43 0.41 4
  55 60.6 606
  56 34.5 345
  57 2.1 21
  69 99.99 999
  70 10.5 105
  83 9.5 95
  98 68.7 687
  99 5 50
//
