MassBank Record: JP003387



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

ACCESSION: JP003387
RECORD_TITLE: DIISOBUTYL 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$NAME: DIISOBUTYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O4 CH$EXACT_MASS: 258.18311 CH$SMILES: CC(C)COC(=O)CCCCC(=O)OCC(C)C CH$IUPAC: InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
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$SPLASH: splash10-0a6r-7910000000-aa974e196ed237172f4b PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 43 18.9 189 44 8.7 87 45 6.3 63 53 4.8 48 54 35.4 354 55 43.6 436 56 54.8 548 57 0.38 4 58 7.2 72 59 8.7 87 60 4.8 48 67 0.38 4 68 3.3 33 69 6.7 67 70 8.2 82 71 0.58 6 73 7.7 77 74 3.8 38 81 5.3 53 82 0.43 4 83 16 160 84 6.7 67 85 4.8 48 87 2.23 22 88 4.3 43 95 3.8 38 97 5.3 53 98 0.24 2 99 2.9 29 100 14.5 145 101 18.9 189 102 0.53 5 103 2.9 29 105 2.9 29 109 3.3 33 110 0.29 3 111 44.1 441 112 6.7 67 113 3.3 33 114 0.38 4 115 4.8 48 128 6.3 63 129 99.99 999 130 0.77 8 131 2.4 24 142 5.3 53 143 22.8 228 144 0.38 4 147 4.3 43 149 6.7 67 156 17.4 174 157 0.58 6 158 5.3 53 171 8.2 82 184 4.8 48 185 9.9 99 186 12.1 121 187 4.3 43 203 11.6 116 217 0.24 2 218 3.8 38 219 6.7 67 239 4.3 43 241 0.33 3 258 5.8 58 259 4.3 43 265 2.9 29 316 2.9 29 //