MassBank Record: JP001745



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

ACCESSION: JP001745
RECORD_TITLE: TRIDECANEDIOIC 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$NAME: TRIDECANEDIOIC ACID DIHEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H48O4 CH$EXACT_MASS: 412.35526 CH$SMILES: CCCCCCOC(=O)CCCCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C25H48O4/c1-3-5-7-18-22-28-24(26)20-16-14-12-10-9-11-13-15-17-21-25(27)29-23-19-8-6-4-2/h3-23H2,1-2H3
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: splash10-05fr-4931000000-fefef14efbb47feee0c0 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 42 2.01 20 43 17.6 176 56 11.93 119 57 12.8 128 61 5.44 54 68 2.46 25 69 8.03 80 70 7.04 70 71 8.29 83 73 3.63 36 82 5.01 50 83 13.16 132 84 19.41 194 85 12.17 122 87 2.58 26 96 2.74 27 97 9.59 96 98 16.92 169 99 2.22 22 101 4.73 47 110 2.76 28 111 16.3 163 112 6.48 65 113 0.82 8 114 0.8 8 115 4.28 43 116 2.13 21 117 0.96 10 124 4.86 49 125 11.96 120 126 3.12 31 127 1.11 11 128 0.63 6 129 32.95 330 130 2.46 25 135 0.92 9 138 0.95 10 139 3.04 30 140 4.31 43 141 1.31 13 142 1.46 15 143 7.01 70 144 4.26 43 145 2.44 24 151 1.07 11 152 34.22 342 153 9.16 92 154 1.54 15 155 1.18 12 157 4.37 44 169 0.34 3 170 2.14 21 171 99.99 999 172 10.54 105 173 1.13 11 180 0.34 3 185 3.22 32 199 11.43 114 200 2.65 27 208 0.32 3 212 0.47 5 213 11.79 118 214 1.37 14 226 1.58 16 227 5.8 58 228 3.05 31 241 3.43 34 254 2.29 23 255 57.05 571 256 10.86 109 257 1.19 12 269 9.11 91 270 1.72 17 273 3.48 35 282 1.18 12 283 11.45 115 284 3.68 37 301 0.36 4 310 1.38 14 311 31.33 313 312 6.86 69 313 0.81 8 329 0.98 10 //