MassBank Record: JP001743



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

ACCESSION: JP001743
RECORD_TITLE: UNDECANEDIOIC ACID DIHEXYL 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$NAME: UNDECANEDIOIC ACID DIHEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H44O4 CH$EXACT_MASS: 384.32396 CH$SMILES: CCCCCCOC(=O)CCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C23H44O4/c1-3-5-7-16-20-26-22(24)18-14-12-10-9-11-13-15-19-23(25)27-21-17-8-6-4-2/h3-21H2,1-2H3
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: splash10-05aj-5940000000-05a65d720a0c9740790a PK$NUM_PEAK: 122 PK$PEAK: m/z int. rel.int. 41 1.84 18 42 6.05 61 43 29.81 298 44 1.36 14 55 9.66 97 56 23.64 236 57 20.22 202 58 0.86 9 60 2.36 24 61 11.7 117 67 1.41 14 68 2.77 28 69 14.95 150 70 8.51 85 71 11.16 112 73 6.48 65 81 2.1 21 82 6.52 65 83 18.18 182 84 38.87 389 85 14.82 148 86 0.9 9 87 4.82 48 95 1.26 13 96 3.6 36 97 12.24 122 98 29.59 296 99 2.75 28 100 0.63 6 101 7.11 71 102 1.71 17 103 3.53 35 107 1.46 15 108 0.52 5 109 1.38 14 110 4 40 111 19.62 196 112 12.77 128 113 2.35 24 114 4.35 44 115 6.26 63 116 2.41 24 117 1.54 15 121 1.15 12 123 2.62 26 124 7.59 76 125 15.74 157 126 3.97 40 127 1.5 15 128 1.43 14 129 42.73 427 130 3.45 35 133 0.26 3 134 0.91 9 135 4.07 41 136 0.91 9 137 1.3 13 138 2.4 24 139 15.45 155 140 3.73 37 141 1.17 12 142 1.91 19 143 5.14 51 144 6.23 62 145 4.16 42 146 0.26 3 151 1.78 18 152 46.83 468 153 14.88 149 154 3.19 32 155 1.82 18 156 0.45 5 157 16.46 165 158 2.12 21 162 0.45 5 163 0.32 3 169 0.56 6 170 2.34 23 171 99.99 999 172 15.29 153 173 2.37 24 179 0.42 4 180 2.97 30 181 1.5 15 182 0.19 2 183 0.39 4 185 1.83 18 197 0.53 5 198 0.65 7 199 45.39 454 200 6.52 65 201 0.56 6 212 0.77 8 213 13.57 136 214 2.07 21 226 1.99 20 227 0.92 9 228 3.93 39 229 0.7 7 238 0.77 8 239 0.36 4 240 1.76 18 241 22.71 227 242 3.79 38 254 4.03 40 255 60.25 603 256 14.47 145 257 1.97 20 266 0.91 9 273 2.73 27 274 0.25 3 281 0.12 1 282 2.93 29 283 66.14 661 284 13.18 132 285 1.72 17 301 2.49 25 302 0.24 2 341 0.29 3 384 0.23 2 385 1.74 17 386 0.24 2 //