ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003553
RECORD_TITLE: N,N'-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIDE); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N,N'-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIDE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₀H₆₄N₂O₄
CH$EXACT_MASS: 636.48661
CH$SMILES: C(CCCCNC(CCc(c2)cc(C(C)(C)C)c(O)c(C(C)(C)C)2)=O)CNC(CCc(c1)cc(C(C)(C)C)c(O)c(C(C)(C)C)1)=O
CH$IUPAC: InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)
CH$LINK: INCHIKEY OKOBUGCCXMIKDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044233

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pbi-9864023000-3ed63690c2ee4e63e848
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  29 10.5 105
  30 19.27 193
  41 22.64 226
  43 12.29 123
  44 6.37 64
  55 21.06 211
  56 6.85 69
  57 99.99 999
  58 6.24 62
  69 5.93 59
  72 6.79 68
  81 3.16 32
  83 5.16 52
  86 17.49 175
  87 2.58 26
  91 3.43 34
  97 3.28 33
  98 28.65 287
  99 2.92 29
  100 52.73 527
  101 5.99 60
  105 4.67 47
  107 7.14 71
  115 3.38 34
  117 26.15 262
  119 5.36 54
  121 4.9 49
  128 8.38 84
  129 5.04 50
  131 3.24 32
  133 4.74 47
  141 2.21 22
  142 3.45 35
  143 14.02 140
  144 4.64 46
  145 4.92 49
  147 19.66 197
  148 2.39 24
  149 3.04 30
  157 3.79 38
  158 3.07 31
  159 12.01 120
  160 2.6 26
  161 11.39 114
  162 2.53 25
  163 12.15 122
  173 3.68 37
  175 4.59 46
  176 2.65 27
  177 3.26 33
  181 3.55 36
  185 3.14 31
  187 8.11 81
  188 3.35 34
  189 5.52 55
  201 5.37 54
  203 28.58 286
  204 6 60
  205 2.52 25
  206 2.27 23
  216 2.21 22
  217 20.37 204
  218 4.72 47
  219 39.15 392
  220 8.11 81
  232 10.51 105
  233 6.6 66
  234 2.73 27
  245 2.93 29
  248 2.92 29
  259 31.48 315
  260 10.49 105
  262 4.77 48
  263 2.41 24
  265 2.52 25
  275 4.26 43
  276 4.28 43
  277 2 20
  288 2.48 25
  290 5.16 52
  291 4.94 49
  302 2.16 22
  303 3.06 31
  304 3.43 34
  305 11.93 119
  306 2.98 30
  319 5.01 50
  320 3.38 34
  321 19.47 195
  322 4.27 43
  346 3.75 38
  347 7.63 76
  348 2.19 22
  358 2.25 23
  359 3.07 31
  360 2.34 23
  361 7.44 74
  362 3.73 37
  375 4.02 40
  376 17.13 171
  377 15.65 157
  378 3.91 39
  418 4.97 50
  474 2.75 28
  523 2.06 21
  524 6.86 69
  525 2.48 25
  529 26.76 268
  565 2.25 23
  580 21.96 220
  581 7.51 75
  621 2.14 21
  636 72.41 724
  637 30.34 303
  638 7.03 70
//