ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005076
RECORD_TITLE: 2-METHOXY-4-PHENETHYL-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$NAME: 2-METHOXY-4-PHENETHYL-5,6-DIPHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H22N2O
CH$EXACT_MASS: 366.17321
CH$SMILES: COc(n1)nc(c(c4)cccc4)c(c(c3)cccc3)c(CCc(c2)cccc2)1
CH$IUPAC: InChI=1S/C25H22N2O/c1-28-25-26-22(18-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)24(27-25)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
CH$LINK: INCHIKEY XVUHEFHMMXQDDJ-UHFFFAOYSA-N
AC$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: splash10-014i-4479000000-7082d1dba88a9e7a91e0
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  32 2.3 23
  39 5.3 53
  41 1.6 16
  42 0.26 3
  50 1.5 15
  51 7.3 73
  52 1.4 14
  54 0.13 1
  58 1.3 13
  63 3.2 32
  64 1 10
  65 1.13 11
  75 1.1 11
  77 18.6 186
  78 4.1 41
  79 0.15 2
  83 1.3 13
  88 1.6 16
  89 6.5 65
  90 0.16 2
  91 40.4 404
  92 3.2 32
  101 1.6 16
  102 0.33 3
  103 5.3 53
  104 6.9 69
  105 1.6 16
  114 0.2 2
  115 9.4 94
  116 2.3 23
  117 1.3 13
  118 0.65 7
  126 1.3 13
  127 2.3 23
  128 4.1 41
  129 0.68 7
  130 3.7 37
  132 1.1 11
  136 1.3 13
  138 0.11 1
  139 1.7 17
  140 2.7 27
  144 1.3 13
  150 0.11 1
  151 2.9 29
  152 3.4 34
  155 1.4 14
  156 0.22 2
  157 4.9 49
  163 1.3 13
  164 1.7 17
  165 0.76 8
  166 1.6 16
  167 1.2 12
  175 1 10
  176 0.5 5
  177 5.1 51
  178 9.2 92
  179 2.5 25
  189 0.35 4
  190 5.3 53
  191 4.1 41
  192 1.7 17
  201 0.16 2
  202 4.4 44
  203 6.5 65
  204 7.2 72
  205 0.21 2
  215 2.1 21
  216 2.9 29
  217 4 40
  218 0.35 4
  219 2.3 23
  228 1.1 11
  229 4 40
  230 0.26 3
  231 3.3 33
  232 2 20
  241 1.1 11
  242 0.14 1
  243 2.7 27
  244 1.5 15
  245 5.7 57
  246 0.17 2
  247 2.7 27
  248 1 10
  258 1.5 15
  259 0.29 3
  260 1.7 17
  261 25 250
  262 5 50
  263 0.35 4
  271 1.1 11
  273 10.1 101
  274 14 140
  275 0.81 8
  276 1.6 16
  287 4.1 41
  289 37.2 372
  290 0.8 8
  291 1.6 16
  308 1.9 19
  309 1 10
  337 0.11 1
  349 1.2 12
  351 4.1 41
  352 1.1 11
  364 0.2 2
  364.5 1 10
  365 74.1 741
  366 99.99 999
  367 2.32 23
  368 2.6 26
//
