ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006598
RECORD_TITLE: 2-HEPTYLCYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-HEPTYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: CCCCCCCC(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3
CH$LINK: COMPTOX DTXSID8044547
CH$LINK: INCHIKEY PJXHBTZLHITWFX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8710
AC$INSTRUMENT: HITACHI M-80B
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: splash10-001i-9000000000-05fa1062ee02edb4ff51
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 11.22 112
  28 2.16 22
  29 13.79 138
  39 8.79 88
  41 28.11 281
  42 4.67 47
  43 12.01 120
  53 2.72 27
  54 3.62 36
  55 17.95 180
  56 5.79 58
  57 2.4 24
  67 3.43 34
  68 1.36 14
  69 4.73 47
  70 2.17 22
  79 1.07 11
  81 1 10
  82 1.04 10
  83 12.39 124
  84 99.99 999
  85 4.43 44
  97 14.78 148
  98 1.66 17
  182 3.24 32
//
