ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006957
RECORD_TITLE: 2-PENTYLCYCLOPENTANONE; 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$NAME: 2-PENTYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CCCCCC(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3
CH$LINK: INCHIKEY VNWOJVJCRAHBJJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044566
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$SPLASH: splash10-001i-9000000000-7f42ad28534ef6a15ae4
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 1.11 11
  27 16.66 167
  28 1.76 18
  29 17.13 171
  39 15.12 151
  40 1.34 13
  41 35.06 351
  42 7.83 78
  43 7.03 70
  53 3.57 36
  54 4.59 46
  55 22.86 229
  56 11.61 116
  57 2.92 29
  67 2.88 29
  68 1.56 16
  69 6.32 63
  70 3.68 37
  79 1.18 12
  81 1.37 14
  82 1.12 11
  83 16.41 164
  84 99.99 999
  85 4.72 47
  97 14.24 142
  98 1.46 15
  111 1.03 10
  112 1.12 11
  154 3.95 40
//
