ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002682
RECORD_TITLE: 1-TETRADECYL-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$NAME: 1-TETRADECYL-2,3-DI-O-ACETHYL GLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H40O5
CH$EXACT_MASS: 372.28757
CH$SMILES: CCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C21H40O5/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/h21H,4-18H2,1-3H3
CH$LINK: INCHIKEY UYEQSZIEGZNHSU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85250734
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$SPLASH: splash10-014i-6930000000-624d22582a5e1199334e
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  41 2.5 25
  43 21 210
  44 1.5 15
  45 1.5 15
  54 2.1 21
  55 25.2 252
  56 11.8 118
  57 6.86 69
  58 7.3 73
  59 1.2 12
  60 3.3 33
  61 0.83 8
  66 1 10
  67 10 100
  68 10.2 102
  69 4.54 45
  70 17.7 177
  71 87.3 873
  72 5.9 59
  73 4.7 47
  74 6.1 61
  75 4.4 44
  77 2.9 29
  79 0.32 3
  80 2.5 25
  81 17.4 174
  82 28.2 282
  83 5.2 52
  84 16.1 161
  85 90.7 907
  86 21.4 214
  87 0.41 4
  91 1.5 15
  93 2.4 24
  94 4.4 44
  95 2.3 23
  96 26.9 269
  97 58.7 587
  98 17.4 174
  99 4.79 48
  100 72.4 724
  101 22.3 223
  102 3.1 31
  103 6.54 65
  104 3.8 38
  105 2.3 23
  107 2.8 28
  108 0.39 4
  109 16.6 166
  110 19.1 191
  111 41.2 412
  112 2.59 26
  113 31.7 317
  114 3.1 31
  115 11.8 118
  116 3.36 34
  117 99.99 999
  118 6.3 63
  119 6.1 61
  120 0.1 1
  121 5.2 52
  122 3.5 35
  123 13.1 131
  124 1.23 12
  125 31.2 312
  126 10.3 103
  127 25 250
  128 0.32 3
  129 4.1 41
  130 1.5 15
  133 3.2 32
  135 1.02 10
  136 3.3 33
  137 10 100
  138 8.2 82
  139 1.29 13
  140 5.4 54
  141 18.3 183
  142 2.7 27
  143 0.15 2
  144 1.1 11
  145 19.2 192
  146 1.5 15
  147 0.47 5
  149 8.4 84
  150 2.3 23
  151 7.6 76
  152 0.57 6
  153 6.3 63
  154 2.8 28
  155 8.8 88
  156 0.43 4
  157 1.5 15
  159 58.2 582
  160 5 50
  161 0.14 1
  163 2.8 28
  165 5.4 54
  166 5.9 59
  167 0.51 5
  168 3.9 39
  169 1.3 13
  171 1.4 14
  177 0.39 4
  178 1 10
  179 2.5 25
  180 1.3 13
  181 0.4 4
  185 2.3 23
  189 2.1 21
  191 3.8 38
  192 0.16 2
  193 2.4 24
  194 8.3 83
  195 7.8 78
  196 0.44 4
  197 22.1 221
  198 3.4 34
  199 1.2 12
  205 0.27 3
  206 1.4 14
  207 25.2 252
  208 6.1 61
  209 6.5 65
  210 1.5 15
  211 1.9 19
  213 1.5 15
  219 0.1 1
  221 1 10
  223 11.4 114
  224 3.8 38
  225 1.63 16
  226 2.8 28
  227 64.7 647
  228 10.7 107
  229 0.12 1
  239 2.2 22
  241 1 10
  252 10.5 105
  253 0.56 6
  255 1.5 15
  257 8.1 81
  258 1.4 14
  267 0.11 1
  269 85.5 855
  270 18.4 184
  271 2.4 24
  281 0.47 5
  282 1.4 14
  283 1.7 17
  299 3.3 33
  311 0.15 2
  312 1.2 12
  313 1.6 16
  341 1.2 12
//
