MassBank Record: JP003338



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

ACCESSION: JP003338
RECORD_TITLE: DIBENZYL 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$NAME: DIBENZYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H30O4 CH$EXACT_MASS: 382.21441 CH$SMILES: C(CCCCC(=O)OCc(c2)cccc2)CCCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
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$SPLASH: splash10-0a4l-9420000000-d73c7dd5d6ac83e1f079 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 43 20.8 208 45 4.2 42 53 3.9 39 54 51.5 515 55 90 900 56 78.4 784 59 15.8 158 60 0.61 6 67 7.3 73 68 4.9 49 69 23.7 237 70 0.89 9 71 3.9 39 73 12.6 126 79 2.9 29 81 0.83 8 82 2.4 24 83 13.8 138 84 17.1 171 87 0.52 5 93 3 30 94 2.3 23 95 7.1 71 96 0.45 5 97 21.7 217 98 27.7 277 99 3 30 101 0.93 9 107 2.4 24 110 2.3 23 111 6.3 63 112 0.42 4 115 2.6 26 116 2.4 24 119 2 20 121 0.9 9 124 3.8 38 125 22 220 129 4.2 42 130 0.24 2 138 13.9 139 139 21.5 215 143 25.5 255 144 0.22 2 157 8 80 158 2.2 22 166 15.7 157 167 0.57 6 185 57.8 578 186 8.6 86 199 25.2 252 200 0.41 4 212 4.8 48 213 4.1 41 214 5.8 58 243 0.23 2 241 99.99 999 242 16.7 167 255 3.5 35 259 0.26 3 269 3.3 33 315 3.9 39 //