ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010200
RECORD_TITLE: 7-HYDROXY-2-METHYL-3-DODECEN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 7-HYDROXY-2-METHYL-3-DODECEN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O2
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCC(O)CC(=O)C=CC(C)C
CH$IUPAC: InChI=1S/C13H24O2/c1-4-5-6-7-12(14)10-13(15)9-8-11(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+
CH$LINK: INCHIKEY TVXUVXZFXYEFMI-CMDGGOBGSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-9200000000-e43171732a4226378cd6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 15.59 156
  41 80.11 801
  42 10.67 107
  43 43.65 437
  54 11.05 111
  55 6.58 66
  56 23.77 238
  67 8.33 83
  69 20.82 208
  71 6.2 62
  96 11.88 119
  97 99.99 999
  98 8.08 81
  99 8.94 89
  112 13.1 131
  115 7.51 75
  141 30.89 309
  142 3.03 30
  151 4.41 44
  167 1.85 19
  169 7.86 79
  170 1.77 18
  194 9.1 91
  195 1.93 19
  212 2.97 30
//
