ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002684
RECORD_TITLE: 1-HEXADECYL-2,3-DI-O-ACETHYL 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$NAME: 1-HEXADECYL-2,3-DI-O-ACETHYL GLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₄O₅
CH$EXACT_MASS: 400.31887
CH$SMILES: CCCCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-23(28-22(3)25)20-27-21(2)24/h23H,4-20H2,1-3H3
CH$LINK: INCHIKEY RNBQLCHIPDBXCF-UHFFFAOYSA-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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06ds-8930000000-30ec6d48ef519d717a4d
PK$NUM_PEAK: 168
PK$PEAK: m/z int. rel.int.
  41 1.4 14
  43 17.3 173
  44 1.6 16
  54 2.9 29
  55 26.1 261
  56 11.6 116
  57 60.7 607
  58 0.73 7
  59 1.6 16
  60 3.4 34
  61 7.2 72
  66 0.13 1
  67 11.6 116
  68 10.4 104
  69 45.4 454
  70 1.41 14
  71 75.9 759
  72 5.8 58
  73 40 400
  74 0.56 6
  75 4.2 42
  77 3.9 39
  79 3.3 33
  80 0.31 3
  81 21 210
  82 30.6 306
  83 57.9 579
  84 1.53 15
  85 82.5 825
  86 20.1 201
  87 3.9 39
  91 0.17 2
  93 2.7 27
  94 5 50
  95 27 270
  96 3.41 34
  97 64.9 649
  98 18.8 188
  99 45.4 454
  100 7.22 72
  101 25.9 259
  102 3.3 33
  103 52.4 524
  104 0.32 3
  105 2.9 29
  107 3.2 32
  108 4.5 45
  109 1.83 18
  110 19.6 196
  111 41.3 413
  112 25.7 257
  113 2.83 28
  114 3.7 37
  115 11.3 113
  116 32.3 323
  117 99.99 999
  118 5.6 56
  119 6.9 69
  120 1.5 15
  121 0.58 6
  122 4.4 44
  123 16.4 164
  124 17 170
  125 3.32 33
  126 10.5 105
  127 23.1 231
  128 2.9 29
  129 0.45 5
  130 1.5 15
  133 4.1 41
  135 9.8 98
  136 0.38 4
  137 12.4 124
  138 13.2 132
  139 13.6 136
  140 0.54 5
  141 20.3 203
  142 2.8 28
  143 1.2 12
  144 0.11 1
  145 20.3 203
  146 1.9 19
  147 4.6 46
  149 1.28 13
  150 2.4 24
  151 7.4 74
  152 8.5 85
  153 0.95 10
  154 3.8 38
  155 15.3 153
  156 2.1 21
  157 0.14 1
  158 2 20
  159 71.9 719
  160 5.9 59
  161 0.15 2
  163 3.3 33
  165 6.7 67
  166 6.4 64
  167 0.91 9
  168 3.3 33
  169 10.3 103
  170 2 20
  171 0.18 2
  177 5.6 56
  178 1.4 14
  179 6 60
  180 0.38 4
  181 4.2 42
  182 2.3 23
  183 5.8 58
  184 0.19 2
  185 3 30
  186 1.3 13
  189 2.8 28
  191 0.53 5
  192 1.3 13
  193 5.7 57
  194 5.2 52
  195 0.42 4
  196 3.6 36
  199 1.5 15
  205 1.9 19
  206 0.19 2
  207 37.6 376
  208 9.5 95
  209 8.3 83
  210 0.24 2
  213 1.7 17
  219 2.2 22
  220 1.9 19
  221 0.23 2
  222 9.4 94
  223 8.2 82
  224 5 50
  225 2.27 23
  226 3.9 39
  227 2.3 23
  233 2.1 21
  237 0.47 5
  238 2.3 23
  239 1.6 16
  241 1.3 13
  251 1 10
  252 5.4 54
  253 16.9 169
  254 3.4 34
  255 6.06 61
  256 12 120
  257 1.1 11
  267 3.1 31
  269 0.16 2
  280 14.4 144
  281 10.7 107
  282 2.7 27
  283 0.25 3
  285 6.9 69
  286 1.7 17
  297 75.8 758
  298 1.92 19
  299 2.7 27
  327 2.5 25
  338 1.6 16
  339 0.21 2
  341 3.4 34
  342 1.1 11
  355 1.4 14
  357 0.7 7
//