ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009853
RECORD_TITLE: 6,10-DIMETHYL-2-UNDECANOL; 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$NAME: 6,10-DIMETHYL-2-UNDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O
CH$EXACT_MASS: 200.21402
CH$SMILES: CC(C)CCCC(C)CCCC(C)O
CH$IUPAC: InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3
CH$LINK: INCHIKEY GNJORAZPXCKMSY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90959533

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$SPLASH: splash10-0592-9000000000-65e4a885e6f6bf9f1769
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 7 70
  29 12.8 128
  39 4.7 47
  41 2.72 27
  42 10.4 104
  43 47.4 474
  44 6.1 61
  45 99.99 999
  46 2.3 23
  55 53.3 533
  56 45.1 451
  57 6.19 62
  58 5 50
  59 2.6 26
  67 2.5 25
  68 0.33 3
  69 43.2 432
  70 38.9 389
  71 38.9 389
  72 0.2 2
  81 3.3 33
  83 18.7 187
  84 13.4 134
  85 0.95 10
  87 2.2 22
  95 1.4 14
  96 6.2 62
  97 3.58 36
  98 8.2 82
  99 1.6 16
  111 14.3 143
  112 1.85 19
  113 6.7 67
  125 2.8 28
  126 14 140
  127 0.3 3
  140 2.5 25
  182 1.9 19
  185 1 10
//