MassBank Record: JP008350



 N,N'-DIOCTADECYL ADIPIC AMIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP008350
RECORD_TITLE: N,N'-DIOCTADECYL ADIPIC AMIDE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: N,N'-DIOCTADECYL ADIPIC AMIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C42H84N2O2 CH$EXACT_MASS: 648.65328 CH$SMILES: C(CNC(CCCCC(=O)NCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-41(45)37-33-34-38-42(46)44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46) CH$LINK: INCHIKEY QIJSQGXDFAYEAF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80179829
AC$INSTRUMENT: HITACHI M-60 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9101000000-f6637f17e8228e02a003 PK$NUM_PEAK: 110 PK$PEAK: m/z int. rel.int. 27 10.96 110 29 27.51 275 30 80.07 801 39 5.6 56 41 47.98 480 42 11.58 116 43 99.99 999 44 29.13 291 45 6.91 69 54 6.77 68 55 55.62 556 56 21.27 213 57 82.42 824 58 12.1 121 59 5.43 54 60 10.46 105 67 13.71 137 68 7.48 75 69 33.71 337 70 18.17 182 71 29.64 296 72 12.33 123 73 20.94 209 81 7.88 79 82 13.08 131 83 25.78 258 84 24.34 243 85 21.86 219 86 16.15 162 87 9.37 94 95 8.18 82 96 7.92 79 97 26.69 267 98 13.26 133 99 10.14 101 100 17.32 173 101 6.81 68 109 3.11 31 110 6.63 66 111 13.2 132 112 10.83 108 113 5.45 55 114 14.04 140 115 4.85 49 125 5.7 57 126 6.41 64 127 1.52 15 128 11.12 111 129 6.56 66 139 5.23 52 140 7.31 73 141 8.26 83 142 5.66 57 153 2.74 27 154 3.4 34 155 1.9 19 156 5.44 54 157 2 20 167 1.79 18 168 7.92 79 170 2.62 26 182 2.18 22 184 5.64 56 196 1.23 12 198 2.59 26 212 3.2 32 224 1.57 16 226 2.87 29 227 1.62 16 240 5.91 59 241 2.22 22 252 1.2 12 254 5.27 53 255 1.2 12 267 1.19 12 268 8.87 89 269 4.24 42 270 4.83 48 280 4.38 44 281 1.26 13 282 3.06 31 283 6.09 61 284 5.98 60 296 16.71 167 297 5.61 56 307 2.39 24 308 1.99 20 309 4.34 43 310 5.64 56 311 34.99 350 312 9.45 95 324 18.69 187 325 6.16 62 338 8.41 84 339 1.5 15 340 1.43 14 350 2.24 22 352 5.45 55 353 2.25 23 366 1.21 12 368 1.79 18 380 8.65 87 381 3.42 34 408 1.42 14 479 1.2 12 507 2.95 30 534 1.27 13 535 6.29 63 536 2.65 27 648 1.31 13 //

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