MassBank Record: JP001710



 DECANEDIOIC ACID DIBUTYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001710
RECORD_TITLE: DECANEDIOIC ACID DIBUTYL 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$NAME: DECANEDIOIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H34O4 CH$EXACT_MASS: 314.24571 CH$SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
AC$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$SPLASH: splash10-052p-7910000000-ddef7e520d4682270616 PK$NUM_PEAK: 152 PK$PEAK: m/z int. rel.int. 4 4.01 40 27 1.67 17 29 18.68 187 30 0.47 5 39 0.77 8 40 0.25 3 41 23.5 235 42 2.18 22 43 16.51 165 45 0.69 7 47 0.49 5 53 0.31 3 54 1.11 11 55 24.02 240 56 99.99 999 57 70.09 701 58 3.77 38 59 2.19 22 60 22.02 220 61 11.07 111 62 0.34 3 65 1.43 14 66 0.16 2 67 4.92 49 68 4.21 42 69 18.13 181 70 3.24 32 71 3.4 34 72 0.95 10 73 17.76 178 74 2.45 25 75 2.62 26 79 5.06 51 80 2.68 27 81 8.59 86 82 4.9 49 83 22.03 220 84 27.69 277 85 3.73 37 86 1.14 11 87 10.49 105 88 2.89 29 89 1.56 16 91 2.38 24 92 1.16 12 93 3.64 36 94 3.01 30 95 9.04 90 96 10.15 102 97 47.52 475 98 64.58 646 99 7.22 72 100 1.8 18 101 22.32 223 103 14.72 147 105 10.19 102 106 2.06 21 107 5.2 52 108 1.19 12 109 12.07 121 110 7.61 76 111 12.57 126 112 7.03 70 113 2.98 30 114 2.78 28 115 11.31 113 116 7.83 78 117 3.89 39 119 5.82 58 120 4.24 42 121 19.71 197 122 3.9 39 123 8.07 81 124 9.34 93 125 53.23 532 126 5.79 58 127 1.91 19 128 1.38 14 129 9.95 100 130 5.18 52 131 2.6 26 133 4.14 41 136 11.15 112 138 36.32 363 139 42.22 422 140 6.29 63 143 84.31 843 144 6.18 62 145 1.56 16 147 2.56 26 148 6.67 67 149 4.41 44 150 1.25 13 151 2.88 29 154 4.87 49 156 2.94 29 157 14.99 150 158 6.35 64 159 2.2 22 160 1.14 11 163 2.9 29 165 3.45 35 166 34.76 348 167 10.55 106 168 2.42 24 169 2.19 22 170 0.86 9 171 1.41 14 172 1.06 11 173 0.37 4 175 0.42 4 176 0.32 3 177 0.33 3 181 6.07 61 184 2.8 28 185 79.07 791 186 20.18 202 187 2.48 25 188 1.05 11 189 0.1 1 194 0.24 2 196 0.62 6 197 1.12 11 198 2.97 30 199 40.77 408 200 6.83 68 201 0.63 6 206 0.54 5 207 0.25 3 211 0.36 4 212 5.47 55 213 1.74 17 214 8.61 86 215 1.47 15 216 0.15 2 222 0.44 4 223 0.11 1 224 1.79 18 229 0.11 1 240 5.37 54 241 89.63 896 242 25.78 258 243 3.3 33 244 0.35 4 258 0.14 1 259 1.79 18 260 0.23 2 285 0.41 4 314 0.33 3 315 8.2 82 316 1.56 16 317 0.19 2 //