MassBank Record: JP003339



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

ACCESSION: JP003339
RECORD_TITLE: DIBUTOXYETHYL SEBACATE; 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$NAME: DIBUTOXYETHYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O6 CH$EXACT_MASS: 402.29814 CH$SMILES: CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC CH$IUPAC: InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3
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$SPLASH: splash10-0pb9-9300000000-02754c1b87bcbaf64b46 PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 45 61.1 611 54 38.2 382 55 93.8 938 56 99.99 999 57 6.4 64 58 2.5 25 59 2.2 22 63 0.21 2 67 5.9 59 68 3.1 31 69 17.9 179 70 0.65 7 71 7.2 72 73 4.4 44 79 2.6 26 81 0.54 5 82 3 30 83 8.6 86 84 10.7 107 85 8.91 89 86 11 110 87 7.3 73 88 3.6 36 93 0.28 3 95 4.9 49 97 8.5 85 98 18 180 99 1.91 19 100 78.9 789 101 37.8 378 105 2.8 28 111 0.47 5 112 3.9 39 113 2.8 28 117 9.2 92 119 0.28 3 121 5.2 52 125 2.5 25 138 3.5 35 139 0.54 5 140 5.1 51 141 4.4 44 155 3.6 36 160 1.09 11 166 4.6 46 169 5.6 56 173 4.3 43 184 0.36 4 185 10.2 102 211 8.1 81 213 12.4 124 229 3.5 35 230 5.6 56 243 8.9 89 258 4.7 47 285 2.32 23 329 12.7 127 330 4.5 45 403 2.3 23 //