ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005086
RECORD_TITLE: 4-(ALPHA,BETA-DIBROMOPHENETHYL)-2-METHOXY-5,6-DIPHENYLPYRIMIDINE; 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$NAME: 4-(ALPHA,BETA-DIBROMOPHENETHYL)-2-METHOXY-5,6-DIPHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H20Br2N2O
CH$EXACT_MASS: 521.99424
CH$SMILES: COc(n1)nc(C(Br)C(Br)c(c4)cccc4)c(c(c3)cccc3)c1c(c2)cccc2
CH$IUPAC: InChI=1S/C25H20Br2N2O/c1-30-25-28-23(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)24(29-25)22(27)21(26)18-13-7-3-8-14-18/h2-16,21-22H,1H3
CH$LINK: INCHIKEY HFWYESJTBLLQKD-UHFFFAOYSA-N
AC$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: splash10-03di-1349500000-fe01712d5228cbb5df94
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  32 3.1 31
  36 2.3 23
  51 1.5 15
  76 0.13 1
  77 6 60
  79 1.3 13
  80 4.4 44
  81 0.16 2
  82 4.5 45
  89 1.8 18
  91 3.4 34
  101 0.2 2
  102 1.2 12
  103 1 10
  104 1.5 15
  115 0.12 1
  118 8.7 87
  126 1.2 12
  127 1.1 11
  128 0.27 3
  129 1.1 11
  135 1.3 13
  138 1.3 13
  139 0.12 1
  140 1.2 12
  143 1.7 17
  145 2.2 22
  146 0.11 1
  151 2.4 24
  152 5.8 58
  152.5 5 50
  153 0.31 3
  153.5 1.3 13
  158 1 10
  159 1.3 13
  160 0.14 1
  160.5 1.5 15
  164 1 10
  165 2.4 24
  166 0.13 1
  166.5 1.3 13
  167 4.5 45
  167.5 1.3 13
  175 0.2 2
  176 1.6 16
  177 1.1 11
  178 1.6 16
  181 0.23 2
  181.5 4.4 44
  182 7.4 74
  182.5 1.9 19
  189 0.1 1
  190 1.3 13
  201 1.2 12
  202 4.2 42
  203 0.28 3
  204 1.2 12
  216 1.5 15
  217 1.5 15
  227 0.13 1
  228 2.4 24
  229 1 10
  230 2.8 28
  242 0.1 1
  245 4.9 49
  246 1.5 15
  253 1.2 12
  255 0.13 1
  260 3.1 31
  272 1.1 11
  285 2.6 26
  286 0.1 1
  287 46.8 468
  289 1.7 17
  291 1.1 11
  304 0.34 3
  305 1.3 13
  306 6.8 68
  307 2.3 23
  329 0.12 1
  331 1.6 16
  333 1.1 11
  347 5 50
  348 0.22 2
  349 2.3 23
  361 1.9 19
  362 1 10
  363 99.99 999
  364 47.1 471
  365 8.6 86
  443 50.6 506
  444 1.36 14
  445 51.7 517
  448 1.8 18
  524 1.2 12
//
