MassBank Record: JP003389



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

ACCESSION: JP003389
RECORD_TITLE: DIN-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$NAME: DIN-DECYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H50O4 CH$EXACT_MASS: 426.37091 CH$SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC CH$IUPAC: InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/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$SPLASH: splash10-05r0-9750000000-339219d7b157ac340219 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 45 2.1 21 54 31.5 315 55 19.3 193 56 31.3 313 58 2.2 22 60 2.1 21 67 2.8 28 68 0.53 5 69 17 170 70 16.1 161 71 14.4 144 73 0.26 3 82 5.3 53 83 14 140 84 8.8 88 85 1.1 11 87 12.6 126 96 2.2 22 97 7.4 74 98 0.43 4 99 2.5 25 100 6.4 64 101 13.3 133 102 0.22 2 111 15.6 156 112 4.7 47 128 2.3 23 129 99.99 999 130 5.8 58 140 6.3 63 141 3.2 32 147 0.32 3 185 3.3 33 226 3.5 35 227 9.1 91 240 0.6 6 268 2.6 26 269 80.5 805 270 14.5 145 287 2.84 28 288 5.1 51 426 3.6 36 427 3.3 33 //