MassBank Record: JP003337



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

ACCESSION: JP003337
RECORD_TITLE: DIOCTYL SEBACATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H50O4 CH$EXACT_MASS: 426.37091 CH$SMILES: CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-059i-9600000000-5f78e6ceaeacadd2ce3e PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 53 2.1 21 54 31.8 318 55 15.5 155 56 69.5 695 57 2.7 27 67 3.8 38 68 3.1 31 69 1.66 17 70 50.7 507 71 39.5 395 72 2.1 21 81 0.26 3 82 4.6 46 83 17.5 175 84 10.1 101 97 0.61 6 98 12.3 123 111 2.6 26 112 38.6 386 113 1.93 19 121 2.2 22 125 3.8 38 129 2.1 21 138 0.19 2 139 6.1 61 143 7.3 73 157 2.5 25 158 0.34 3 166 4.7 47 184 3 30 185 99.99 999 186 1 10 199 2.7 27 203 5.4 54 213 2.1 21 255 0.25 3 268 2.2 22 297 10.6 106 298 2.5 25 315 0.77 8 316 1.4 14 426 1 10 427 1.5 15 //