ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008350
RECORD_TITLE: N,N'-DIOCTADECYL ADIPIC AMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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
//