MassBank Record: JP003391



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

ACCESSION: JP003391
RECORD_TITLE: OCTYL DECYL 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$NAME: OCTYL DECYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H46O4 CH$EXACT_MASS: 398.33961 CH$SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C24H46O4/c1-3-5-7-9-11-12-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-13-10-8-6-4-2/h3-22H2,1-2H3
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$SPLASH: splash10-004l-9740000000-64e15d5b605a6683ad48 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 43 33.7 337 44 2 20 54 26.5 265 55 16.9 169 56 29.3 293 58 2.1 21 60 2 20 67 0.28 3 68 3.2 32 69 12.7 127 70 12.2 122 71 1.51 15 73 2.8 28 82 3.1 31 83 10.9 109 84 0.77 8 85 4.9 49 87 15.1 151 97 3.2 32 100 0.77 8 101 13.3 133 102 2.7 27 111 17.7 177 112 0.58 6 128 2.3 23 129 99.99 999 130 5.6 56 147 0.32 3 185 2 20 199 6.8 68 212 4.3 43 213 0.42 4 227 3 30 240 2.5 25 241 37.8 378 242 0.61 6 243 1 10 259 9.1 91 269 19.3 193 270 0.39 4 287 5.1 51 //