MassBank Record: JP003388



 DI(2-ETHYL HEXYL) ADIPATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003388
RECORD_TITLE: DI(2-ETHYL HEXYL) 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$NAME: DI(2-ETHYL HEXYL) ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O4 CH$EXACT_MASS: 370.30831 CH$SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC CH$IUPAC: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
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$SPLASH: splash10-0adi-8920000000-303185c662d6b7d184b4 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 53 2.2 22 54 28.1 281 55 16 160 56 61.8 618 57 3.2 32 58 3 30 67 2.1 21 69 0.95 10 70 33 330 71 26.4 264 82 3.6 36 83 1.63 16 84 9.4 94 87 6.3 63 100 5.4 54 101 0.91 9 102 2.6 26 111 11.9 119 112 41.6 416 113 1.64 16 128 4.2 42 129 99.99 999 130 6.4 64 142 0.4 4 143 2.1 21 146 2.8 28 147 30 300 185 0.63 6 199 2.8 28 212 2.2 22 241 17.8 178 242 0.32 3 258 2.3 23 259 29 290 260 5.6 56 370 0.56 6 371 6.3 63 //