ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005088
RECORD_TITLE: 2,2'-DI(4-HEXYLOXYPHENYL)-5,5'-DIAZODIPYRIMIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2,2'-DI(4-HEXYLOXYPHENYL)-5,5'-DIAZODIPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H38N6O2
CH$EXACT_MASS: 538.30562
CH$SMILES: C(CC)CCCOc(c1)ccc(c(n4)ncc(c4)N=Nc(c3)cnc(n3)c(c2)ccc(OCCCCCC)c2)c1
CH$IUPAC: InChI=1S/C32H38N6O2/c1-3-5-7-9-19-39-29-15-11-25(12-16-29)31-33-21-27(22-34-31)37-38-28-23-35-32(36-24-28)26-13-17-30(18-14-26)40-20-10-8-6-4-2/h11-18,21-24H,3-10,19-20H2,1-2H3/b38-37+
CH$LINK: INCHIKEY NVKCRPKKJGPKEK-HEFFKOSUSA-N
AC$INSTRUMENT: MS-902
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: splash10-007c-5902140000-491b25c2d367d1bf2b57
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  38 1.2 12
  39 5.2 52
  40 17.8 178
  41 2.42 24
  42 3.9 39
  43 59.1 591
  44 10.1 101
  50 0.13 1
  51 1.7 17
  53 2.3 23
  54 1 10
  55 1.48 15
  56 3.2 32
  57 7.7 77
  63 1.3 13
  65 0.5 5
  67 3.4 34
  68 1 10
  69 4.3 43
  70 0.11 1
  71 1.5 15
  76 1.7 17
  77 2.3 23
  78 0.13 1
  79 1.8 18
  80 1 10
  81 3.9 39
  82 0.13 1
  83 3.5 35
  84 1 10
  85 2.7 27
  89 0.12 1
  91 2.7 27
  93 4.2 42
  94 1 10
  95 0.34 3
  96 1.2 12
  97 2 20
  103 2.7 27
  104 0.14 1
  105 1.3 13
  107 1.2 12
  109 2.8 28
  111 0.13 1
  115 2.2 22
  116 1.8 18
  119 5 50
  120 1.61 16
  121 1.3 13
  123 1.8 18
  127 2.2 22
  128 0.11 1
  130 1.2 12
  131 1.5 15
  132 2.2 22
  135 0.1 1
  142 3.7 37
  143 2.9 29
  144 28.5 285
  145 0.33 3
  149 1.5 15
  154 1.3 13
  155 1.1 11
  157 0.11 1
  158 5.1 51
  159 16.8 168
  160 2.2 22
  170 0.42 4
  171 92.6 926
  172 12.1 121
  173 1.1 11
  177 0.1 1
  185 6.6 66
  186 30.2 302
  187 3.42 34
  188 4.3 43
  189 1.9 19
  197 1.7 17
  199 11.4 114
  200 0.18 2
  223 1.1 11
  224 1.7 17
  228 2.1 21
  255 0.77 8
  256 1.7 17
  271 7.9 79
  272 1.4 14
  369 0.64 6
  370 63.8 638
  371 14.8 148
  372 1.8 18
  453 0.19 2
  454 28.2 282
  455 9.4 94
  456 1.5 15
  537 0.12 1
  538 99.99 999
  539 36.9 369
  540 6.5 65
//
