ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009942
RECORD_TITLE: 1-(N,N-DIMETHYLAMINO)-3,7,11-TRIMETHYL-2,3-DODECANEDIOL; 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$NAME: 1-(N,N-DIMETHYLAMINO)-3,7,11-TRIMETHYL-2,3-DODECANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H37NO2
CH$EXACT_MASS: 287.28243
CH$SMILES: CC(C)CCCC(C)CCCC(C)(O)C(O)CN(C)C
CH$IUPAC: InChI=1S/C17H37NO2/c1-14(2)9-7-10-15(3)11-8-12-17(4,20)16(19)13-18(5)6/h14-16,19-20H,7-13H2,1-6H3
CH$LINK: INCHIKEY AYIZETHHCXDLGF-UHFFFAOYSA-N
AC$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: splash10-0a4i-9000000000-655e8d10cff7c86bbb98
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  28 18 180
  32 4.7 47
  41 3.6 36
  43 0.67 7
  44 2.8 28
  45 6.6 66
  46 0.8 8
  55 0.47 5
  57 5.3 53
  58 99.99 999
  59 4.4 44
  67 0.05 1
  69 4.1 41
  71 3.1 31
  81 1.6 16
  83 0.3 3
  85 1.6 16
  88 15.9 159
  89 1.6 16
  91 0.05 1
  95 1.6 16
  97 2 20
  100 1.6 16
  109 0.16 2
  111 1.6 16
  121 0.5 5
  122 0.5 5
  123 0.11 1
  124 0.5 5
  125 0.8 8
  126 0.5 5
  127 0.05 1
  131 0.6 6
  132 2.3 23
  133 0.5 5
  134 0.05 1
  139 0.5 5
  144 0.5 5
  145 0.5 5
  146 0.05 1
  147 0.5 5
  149 0.5 5
  150 0.5 5
  151 0.05 1
  152 0.5 5
  153 0.5 5
  155 0.5 5
  159 0.05 1
  160 0.5 5
  270 0.3 3
  272 0.7 7
  286 0.02 0
  287 0.3 3
//
