ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010036
RECORD_TITLE: 3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAENIC ACID ETHYL ESTER; 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$NAME: 3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAENIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H36O2
CH$EXACT_MASS: 332.27153
CH$SMILES: CCOC(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C22H36O2/c1-7-24-22(23)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15,17H,7-10,12,14,16H2,1-6H3/b19-13+,20-15+,21-17+
CH$LINK: INCHIKEY BFYVSGCRUDETNO-JYQWTDEISA-N
CH$LINK: COMPTOX DTXSID00418621
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$SPLASH: splash10-01c0-9800000000-eee02baea52fcb4b3021
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  27 1.91 19
  28 7.77 78
  29 5.13 51
  32 1.15 12
  39 3.3 33
  41 24.86 249
  43 6.61 66
  53 7.6 76
  54 2.02 20
  55 10.08 101
  57 1.88 19
  65 1.44 14
  67 12.04 120
  68 15.18 152
  69 99.99 999
  70 5.9 59
  71 2.45 25
  77 4.82 48
  79 8.15 82
  80 3.22 32
  81 50.16 502
  82 15.07 151
  83 5.12 51
  91 7.5 75
  92 1.85 19
  93 21.13 211
  94 4.3 43
  95 18.02 180
  96 1.71 17
  97 1.21 12
  99 2.54 25
  100 7 70
  105 6.7 67
  107 16.67 167
  108 4.71 47
  109 12.01 120
  113 1.68 17
  119 5.01 50
  121 35.58 356
  122 11.14 111
  123 18.19 182
  124 2.34 23
  125 1.66 17
  128 47.2 472
  129 4.1 41
  133 5.79 58
  134 3.97 40
  135 22.24 222
  136 25.33 253
  137 17.88 179
  139 1.81 18
  141 2.15 22
  147 8.66 87
  148 2.56 26
  149 9.26 93
  150 2.68 27
  153 5.24 52
  161 5.31 53
  162 1.76 18
  163 1.6 16
  175 4.88 49
  177 2.64 26
  179 1.32 13
  181 1.41 14
  189 10.97 110
  190 1.88 19
  191 2.35 24
  203 1.54 15
  204 2.86 29
  205 4.07 41
  217 1.84 18
  287 5.07 51
  289 2.04 20
  332 6.06 61
//
