ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002683
RECORD_TITLE: 1-O-1'-TETRADECENYL-2,3-DI-O-ACETYL GLYCEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-O-1'-TETRADECENYL-2,3-DI-O-ACETYL GLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₈O₅
CH$EXACT_MASS: 370.27192
CH$SMILES: CCCCCCCCCCCCC=COCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C21H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-21(26-20(3)23)18-25-19(2)22/h15-16,21H,4-14,17-18H2,1-3H3/b16-15+
CH$LINK: INCHIKEY QPNZXUZHPNKUSG-FOCLMDBBSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 40 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6t-8930000000-345a983de838794f38f5
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  43 7.1 71
  54 7.3 73
  55 14.3 143
  56 9.1 91
  57 51.2 512
  58 5.7 57
  60 5.9 59
  61 0.61 6
  67 6.9 69
  68 11 110
  69 33.6 336
  70 1.74 17
  71 84.2 842
  72 5.1 51
  73 32.5 325
  74 0.61 6
  79 4.6 46
  80 3.5 35
  81 14.9 149
  82 2.89 29
  83 80.4 804
  84 14.7 147
  85 84.1 841
  86 2.37 24
  87 12.8 128
  91 1.1 11
  93 1.6 16
  94 0.28 3
  95 29.7 297
  96 33.2 332
  97 72.3 723
  98 2.49 25
  99 54.4 544
  100 78.4 784
  101 29.5 295
  102 0.49 5
  103 51.6 516
  104 7.1 71
  105 2.7 27
  106 0.53 5
  107 3.3 33
  109 15.3 153
  110 23.1 231
  111 5.02 50
  112 29.6 296
  113 35.2 352
  114 5.9 59
  115 1.37 14
  116 41.5 415
  117 99.99 999
  118 11.1 111
  119 0.32 3
  121 5.9 59
  122 6.1 61
  123 17.3 173
  124 1.62 16
  125 32.7 327
  126 5.2 52
  127 32.3 323
  135 0.75 8
  136 2.4 24
  137 12.2 122
  138 16.1 161
  139 1.69 17
  140 8.5 85
  141 20.2 202
  144 1 10
  145 2.43 24
  146 1.2 12
  147 3 30
  149 12.8 128
  151 0.8 8
  152 4.9 49
  153 5.6 56
  155 18.7 187
  159 8.78 88
  160 9.5 95
  161 4.6 46
  163 3 30
  165 0.55 6
  166 10.1 101
  167 6.3 63
  168 6.4 64
  169 1.1 11
  177 3.2 32
  178 4.4 44
  179 5.2 52
  180 0.53 5
  181 3.1 31
  182 1.6 16
  183 10.5 105
  185 0.24 2
  189 6.5 65
  192 5.1 51
  193 4 40
  194 0.55 6
  195 7.6 76
  196 6.6 66
  197 4.4 44
  209 0.43 4
  210 5.5 55
  213 4.6 46
  221 5.5 55
  222 0.93 9
  223 10.4 104
  224 5.1 51
  225 24.2 242
  226 0.51 5
  237 5.4 54
  251 10.9 109
  252 4.8 48
  253 2.23 22
  254 4.9 49
  255 49.7 497
  256 11.1 111
  269 0.49 5
  280 11.8 118
  281 3.8 38
  283 20.1 201
  284 0.42 4
  285 8.6 86
  297 78.3 783
  298 17.4 174
  325 20.9 209
  326 4.9 49
//