ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005083
RECORD_TITLE: 1,3-DI(3,4-DIMETHOXYPHENYL)BENZO(F)QUINAZOLINE; 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$NAME: 1,3-DI(3,4-DIMETHOXYPHENYL)BENZO(F)QUINAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₂₄N₂O₄
CH$EXACT_MASS: 452.17361
CH$SMILES: c(c15)cccc(c(c3cc5)c(nc(c(c4)cc(c(OC)c4)OC)n3)c(c2)cc(c(OC)c2)OC)1
CH$IUPAC: InChI=1S/C28H24N2O4/c1-31-22-13-10-18(15-24(22)33-3)27-26-20-8-6-5-7-17(20)9-12-21(26)29-28(30-27)19-11-14-23(32-2)25(16-19)34-4/h5-16H,1-4H3
CH$LINK: INCHIKEY XCDSYIVMRAJUSN-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$SPLASH: splash10-0udi-0301900000-6f3b5f7e12acd4ab2fd5
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  127 1 10
  133 1.5 15
  139 1.7 17
  139.5 0.29 3
  140 3.2 32
  145 2.7 27
  145.5 3.7 37
  146 0.3 3
  146.5 1.6 16
  147 1.1 11
  151 1 10
  151.5 0.25 3
  152 4.7 47
  152.5 2.5 25
  153 2.4 24
  153.5 0.12 1
  154 1.7 17
  158 1.9 19
  158.5 1.5 15
  159 0.13 1
  159.5 1.6 16
  160 2.2 22
  160.5 1.4 14
  161 0.21 2
  161.5 1.7 17
  166 1.7 17
  166.5 1.7 17
  167 0.41 4
  167.5 2.9 29
  168 1.7 17
  173 1.2 12
  173.5 0.12 1
  174 2 20
  174.5 1.2 12
  175 2 20
  175.5 0.14 1
  180 1.8 18
  180.5 1 10
  181 2.4 24
  181.5 0.21 2
  182 2.1 21
  182.5 1 10
  183 1.9 19
  188 0.18 2
  188.5 1.6 16
  189 6.2 62
  189.5 2.2 22
  190 0.1 1
  196.5 1.1 11
  197 2.2 22
  203 2.5 25
  203.5 0.11 1
  204 2.5 25
  204.5 1.1 11
  210 1.1 11
  210.5 0.47 5
  211 2.3 23
  218 1.1 11
  218.5 1.9 19
  226 1.16 12
  226.5 3.5 35
  227 1 10
  279 1.6 16
  285 0.35 4
  287 1.1 11
  292 1.1 11
  319 1 10
  321 0.14 1
  335 1.3 13
  349 2.1 21
  350 1.1 11
  362 0.11 1
  363 1.8 18
  364 1 10
  365 1.6 16
  366 0.18 2
  375 1.1 11
  376 1.4 14
  377 2.5 25
  378 0.2 2
  379 1.2 12
  390 1.9 19
  391 2.7 27
  392 0.26 3
  393 4.5 45
  394 2 20
  405 2.9 29
  406 1.39 14
  407 7.9 79
  408 2.1 21
  409 1.8 18
  419 0.29 3
  420 1.5 15
  421 9.8 98
  422 4.7 47
  423 0.4 4
  424 1.1 11
  435 15.2 152
  436 7.6 76
  437 1.48 15
  438 4.4 44
  451 50.8 508
  452 99.99 999
  453 2.97 30
  454 6.5 65
  455 1 10
//