ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010069
RECORD_TITLE: 2,3-DIHYDROXY-3,7,11,15-TETRAMETHYLHEXADECAN-1-OL NITRATE; 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$NAME: 2,3-DIHYDROXY-3,7,11,15-TETRAMETHYLHEXADECAN-1-OL NITRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H41NO5
CH$EXACT_MASS: 375.29847
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C20H41NO5/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-26-21(24)25/h16-19,22-23H,6-15H2,1-5H3
CH$LINK: INCHIKEY JTBGMTKEKZFXJG-UHFFFAOYSA-N
AC$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: splash10-0abc-9200000000-ca8618da98fedf8f3e2f
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  27 2.2 22
  28 9.2 92
  29 9.5 95
  31 0.11 1
  32 2 20
  39 2.6 26
  41 29.7 297
  42 0.54 5
  43 99.99 999
  44 4.4 44
  45 4.6 46
  48 0.19 2
  53 2 20
  54 0.9 9
  55 53 530
  56 1.72 17
  57 95.4 954
  58 35.6 356
  59 12.7 127
  64 0.6 6
  67 7 70
  68 8.4 84
  69 79.6 796
  70 1.57 16
  71 92.5 925
  72 8.3 83
  73 1.9 19
  79 0.14 1
  80 3.7 37
  81 26.1 261
  82 11.4 114
  83 6.87 69
  84 11.8 118
  85 38.1 381
  86 3 30
  87 1.22 12
  88 5.7 57
  92 1.1 11
  93 5.5 55
  94 0.33 3
  95 24.3 243
  96 7.7 77
  97 61.8 618
  98 0.73 7
  99 15.2 152
  100 1 10
  101 1.4 14
  107 0.38 4
  108 1.4 14
  109 21.4 214
  110 7.3 73
  111 5.1 51
  112 6.8 68
  113 11 110
  115 5.8 58
  121 0.52 5
  122 1.6 16
  123 7.2 72
  124 5.1 51
  125 3.24 32
  126 8.1 81
  127 8.7 87
  129 1.7 17
  135 0.26 3
  136 1 10
  137 6.6 66
  138 2.9 29
  139 1.39 14
  140 3.3 33
  141 3.7 37
  149 4 40
  150 0.14 1
  151 67.1 671
  152 3.5 35
  153 7.7 77
  154 0.11 1
  155 2.2 22
  162 1.3 13
  163 2.3 23
  165 0.21 2
  167 2.6 26
  169 3.6 36
  171 2.1 21
  179 0.21 2
  191 1.6 16
  195 2 20
  269 11 110
  270 0.17 2
  276 2 20
  281 1.2 12
//
