MassBank Record: JP001711



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

ACCESSION: JP001711
RECORD_TITLE: DECANEDIOIC ACID DIBUTYL ESTER; CI-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$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014l-0269000000-ea80f1079920fdbba712 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 61 0.7 7 67 0.15 2 68 0.24 2 69 0.45 5 70 0.24 2 73 0.67 7 80 0.4 4 81 0.5 5 83 0.64 6 84 0.62 6 87 0.16 2 93 0.21 2 95 0.37 4 97 1.27 13 98 1.4 14 99 0.19 2 101 0.47 5 109 0.13 1 111 0.41 4 121 0.7 7 125 1.1 11 129 0.18 2 137 0.33 3 138 0.74 7 139 1.76 18 140 0.15 2 142 4.51 45 149 0.16 2 157 0.83 8 159 0.23 2 165 1.07 11 166 0.8 8 167 0.76 8 169 0.31 3 183 1.9 19 185 19.73 197 186 1.65 17 187 0.18 2 199 1.39 14 200 0.14 1 211 0.1 1 212 0.16 2 213 0.6 6 214 0.28 3 215 0.49 5 223 0.19 2 225 2.49 25 226 0.25 3 227 0.13 1 238 0.21 2 239 1.82 18 241 80.67 807 242 14.61 146 243 2 20 244 0.13 1 257 0.23 2 259 1.36 14 260 0.15 2 299 0.79 8 313 1.56 16 315 99.99 999 316 31.26 313 317 4.27 43 318 0.53 5 352 0.1 1 354 0.35 4 //