ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007666
RECORD_TITLE: CYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O
CH$EXACT_MASS: 84.05751
CH$SMILES: O=C(C1)CCC1
CH$IUPAC: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
CH$LINK: CAS 120-92-3
CH$LINK: INCHIKEY BGTOWKSIORTVQH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3029154

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6u-9000000000-3c7c14d819f4199b4735
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.76 18
  26 10.2 102
  27 26.38 264
  28 67.06 671
  29 8.68 87
  37 1.64 16
  38 3.52 35
  39 23.45 235
  40 4.81 48
  41 52.29 523
  42 15.94 159
  43 3.63 36
  50 3.52 35
  51 2.81 28
  53 3.52 35
  55 99.99 999
  56 30.72 307
  57 1.76 18
  83 1.17 12
  84 38.69 387
  85 2.46 25
//