MassBank Record: JP003390



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

ACCESSION: JP003390
RECORD_TITLE: DIISODECYL ADIPATE; 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$NAME: DIISODECYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H50O4 CH$EXACT_MASS: 426.37091 CH$SMILES: CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C CH$IUPAC: InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
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$SPLASH: splash10-05p9-9450000000-daa46d87d066c73ecadb PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 44 7 70 54 50.5 505 55 26.7 267 56 74.8 748 67 5.2 52 68 3.9 39 69 38.4 384 70 3.32 33 71 48.4 484 82 7.5 75 83 26.4 264 84 2.14 21 85 37.9 379 86 2.6 26 87 4.7 47 97 1.41 14 98 8.3 83 99 9.6 96 101 10.7 107 111 1.59 16 112 13.8 138 129 94.2 942 130 7.5 75 140 2.35 24 141 21.7 217 147 19.6 196 185 13.8 138 227 0.62 6 269 86.9 869 270 16.2 162 287 99.99 999 288 1.85 19 426 10.7 107 427 6.5 65 //