ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010035
RECORD_TITLE: 3,7,11,15-TETRAMETHYLHEXADECANE-1,2,3-TRIOL; 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$NAME: 3,7,11,15-TETRAMETHYLHEXADECANE-1,2,3-TRIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H42O3
CH$EXACT_MASS: 330.31340
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
CH$IUPAC: InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3
CH$LINK: INCHIKEY CGIHFIDULQUVJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10868315
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$SPLASH: splash10-0a4i-9300000000-c3080cdc7ae38007ce2b
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  27 3.68 37
  28 1.97 20
  29 12.24 122
  31 2.39 24
  39 3.18 32
  41 30.1 301
  42 5.58 56
  43 90.19 902
  44 13.77 138
  45 7.47 75
  53 2.01 20
  55 53.84 538
  56 14.32 143
  57 99.99 999
  58 26.07 261
  59 8.71 87
  61 12.4 124
  62 2.2 22
  67 6.96 70
  68 6.35 64
  69 80.41 804
  70 13.91 139
  71 87.96 880
  72 6.58 66
  73 1.8 18
  74 1.23 12
  75 3.3 33
  79 2.18 22
  80 2.08 21
  81 18.38 184
  82 7.66 77
  83 71.56 716
  84 13.45 135
  85 40.05 401
  86 2.71 27
  87 9.27 93
  88 14 140
  93 4.43 44
  94 2.33 23
  95 18.03 180
  96 5.01 50
  97 64.69 647
  98 8.28 83
  99 17.04 170
  101 3.93 39
  103 1.13 11
  104 1.13 11
  105 83.44 834
  106 3.71 37
  107 2.2 22
  109 15.83 158
  110 6.44 64
  111 55.44 554
  112 6.44 64
  113 12.97 130
  118 3.23 32
  119 2.01 20
  121 4.19 42
  123 10.89 109
  124 4.53 45
  125 35.34 353
  126 6.92 69
  127 9.58 96
  135 2.03 20
  137 6.53 65
  138 2.1 21
  139 15.95 160
  140 3.45 35
  141 4.65 47
  149 2.25 23
  151 2.44 24
  153 7.8 78
  155 3.33 33
  161 2.15 22
  165 2.13 21
  167 3.23 32
  169 4.76 48
  179 1.46 15
  181 2.25 23
  195 2.23 22
  250 3.9 39
  263 2.23 22
  269 21.07 211
  270 3.8 38
  281 6.54 65
  282 1.56 16
  312 0.84 8
  315 1.24 12
//
