MassBank Record: JP002682



 1-TETRADECYL-2,3-DI-O-ACETHYL GLYCEROL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //