MassBank Record: JP003336



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

ACCESSION: JP003336
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O4 CH$EXACT_MASS: 258.18311 CH$SMILES: CCOC(=O)CCCCCCCCC(=O)OCC CH$IUPAC: InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
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$SPLASH: splash10-0g0b-9400000000-461f319ea5dff51a00d5 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 43 29.3 293 44 2.4 24 45 20.6 206 53 7 70 54 99.99 999 55 15.8 158 56 7.6 76 58 0.78 8 59 27.2 272 60 19.5 195 67 15.6 156 68 0.81 8 69 39.4 394 70 22.7 227 71 5.5 55 73 1.85 19 74 9.9 99 79 6.9 69 80 4 40 81 1.34 13 82 4.9 49 83 26.9 269 84 32.9 329 85 0.39 4 87 8.2 82 88 48.1 481 89 4.9 49 91 0.24 2 93 4.9 49 94 3.6 36 95 10.2 102 96 0.97 10 97 43 430 98 63.1 631 99 4.6 46 101 2.66 27 107 5.4 54 109 3.1 31 110 6.3 63 111 1.02 10 112 5.7 57 115 7.8 78 121 12.5 125 124 0.9 9 125 55.5 555 126 5.1 51 128 2.1 21 129 1.18 12 137 3.1 31 138 29.9 299 139 22.1 221 143 0.43 4 148 4.8 48 149 3.4 34 156 2.1 21 157 0.57 6 158 7.3 73 166 32.6 326 167 7.3 73 170 0.69 7 171 69.8 698 172 8.2 82 184 8.2 82 185 0.54 5 186 7.5 75 199 8.4 84 212 8.8 88 213 8.16 82 214 11.8 118 258 1 10 259 5.8 58 260 1 10 //