MassBank Record: JP001777



 DOCOSANOIC ACID BUTYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP001777
RECORD_TITLE: DOCOSANOIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DOCOSANOIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H52O2 CH$EXACT_MASS: 396.39673 CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9402000000-6881143b6711b7834c20 PK$NUM_PEAK: 135 PK$PEAK: m/z int. rel.int. 27 0.89 9 29 0.48 5 41 1.16 12 43 1.63 16 55 1.17 12 56 99.99 999 57 16.72 167 58 0.82 8 60 10.95 110 61 14.34 143 62 0.35 4 67 0.37 4 68 0.4 4 69 1.81 18 70 0.93 9 71 7 70 72 0.47 5 73 14.95 150 74 1.48 15 75 0.17 2 81 0.73 7 82 0.93 9 83 3.27 33 84 3.26 33 85 5.79 58 86 0.56 6 87 3.1 31 88 0.4 4 89 0.12 1 95 1.21 12 96 0.93 9 97 4.19 42 98 4.4 44 99 2.23 22 100 0.28 3 101 6.03 60 102 0.96 10 103 0.15 2 109 0.8 8 110 0.47 5 111 2.53 25 112 1.07 11 113 1.43 14 114 0.13 1 115 2.86 29 116 14.21 142 117 12.49 125 118 0.82 8 121 0.29 3 123 0.55 6 124 0.26 3 125 1.75 18 126 0.43 4 127 0.89 9 128 0.13 1 129 21.14 211 130 1.97 20 131 0.13 1 135 0.34 3 137 0.36 4 138 0.19 2 139 1.18 12 140 0.3 3 141 0.5 5 143 1.77 18 144 0.21 2 149 0.35 4 151 0.16 2 152 0.1 1 153 0.76 8 154 0.35 4 155 0.43 4 157 0.86 9 158 0.52 5 163 0.21 2 167 0.49 5 168 0.14 1 169 0.25 3 171 2.12 21 172 1.02 10 181 0.35 4 182 0.14 1 183 0.2 2 185 5.61 56 186 0.86 9 195 0.3 3 196 0.13 1 197 0.19 2 199 0.88 9 200 0.2 2 209 0.21 2 210 0.15 2 211 0.1 1 213 0.56 6 214 0.18 2 222 0.14 1 223 0.27 3 227 1 10 228 0.36 4 236 0.14 1 237 0.2 2 241 2.2 22 242 0.48 5 251 0.12 1 255 0.96 10 256 0.2 2 269 0.31 3 278 0.21 2 279 0.1 1 283 0.54 5 284 0.18 2 292 1.49 15 297 3.21 32 298 0.72 7 303 0.1 1 304 0.1 1 311 0.77 8 312 0.21 2 320 0.49 5 321 0.79 8 322 0.47 5 323 7.32 73 324 1.85 19 325 0.26 3 339 0.82 8 340 9.24 92 341 18.77 188 342 4.2 42 343 0.6 6 353 0.68 7 354 0.32 3 367 0.11 1 396 14.48 145 397 4.37 44 398 0.72 7 //