ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005640
RECORD_TITLE: 3-ACETONYL-2-PENTYLCYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 3-ACETONYL-2-PENTYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O2
CH$EXACT_MASS: 210.16198
CH$SMILES: CCCCCC(C(=O)1)C(CC(C)=O)CC1
CH$IUPAC: InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3
CH$LINK: INCHIKEY PMVDYAQAPLAXSY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00866027
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-001i-9200000000-8c472bb24fd62cb9ab4c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  41 2.36 24
  43 46.98 470
  54 2.16 22
  55 11.82 118
  56 1.04 10
  57 2.11 21
  58 7.68 77
  59 4.91 49
  67 3.12 31
  68 3.01 30
  69 10.08 101
  70 1.06 11
  71 1.93 19
  79 1.73 17
  80 1.06 11
  81 4.22 42
  82 99.99 999
  83 46.66 467
  84 3.9 39
  95 7.36 74
  96 6.4 64
  97 10.32 103
  98 1.12 11
  109 3.4 34
  110 1.02 10
  111 4.26 43
  112 1.06 11
  123 1.76 18
  125 9.59 96
  139 1.01 10
  140 13.89 139
  152 8.52 85
  153 39.72 397
  154 5.13 51
  210 1.99 20
//
