ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010125
RECORD_TITLE: 3-ISOPROPYL-6,10-DIMETHYLUNDECANE-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ISOPROPYL-6,10-DIMETHYLUNDECANE-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H32O
CH$EXACT_MASS: 240.24532
CH$SMILES: CC(C)CCCC(C)CCC(C(C)C)C(C)=O
CH$IUPAC: InChI=1S/C16H32O/c1-12(2)8-7-9-14(5)10-11-16(13(3)4)15(6)17/h12-14,16H,7-11H2,1-6H3
CH$LINK: INCHIKEY XCMBADWJWNQIAY-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0udi-9500000000-24d8fe2f6d4fe4cef97d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 2 20
  29 4 40
  39 2 20
  41 1.4 14
  42 2 20
  43 44 440
  55 14 140
  56 0.6 6
  57 35 350
  58 6 60
  67 2 20
  68 0.2 2
  69 13 130
  70 4 40
  71 31 310
  72 0.2 2
  81 3 30
  82 3 30
  83 6 60
  84 0.2 2
  85 6 60
  86 4 40
  95 4 40
  97 0.2 2
  99 9 90
  100 99.99 999
  101 7 70
  109 0.3 3
  111 2 20
  113 6 60
  123 2 20
  126 0.2 2
  127 2 20
  180 2 20
  195 0.3 3
  196 0.15 2
  197 0.8 8
  198 1 10
  225 0.7 7
  240 1 10
//
