ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005085
RECORD_TITLE: 1,3-DI(4-BROMOPHENYL)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$NAME: 1,3-DI(4-BROMOPHENYL)BENZO(F)QUINAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₁₄Br₂N₂
CH$EXACT_MASS: 487.95237
CH$SMILES: Brc(c5)ccc(c5)c(n1)nc(c(c4)ccc(Br)c4)c(c32)c(ccc(cccc3)2)1
CH$IUPAC: InChI=1S/C24H14Br2N2/c25-18-10-5-16(6-11-18)23-22-20-4-2-1-3-15(20)9-14-21(22)27-24(28-23)17-7-12-19(26)13-8-17/h1-14H
CH$LINK: INCHIKEY BVWXZSVFMDWDQR-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$SPLASH: splash10-000f-1411900000-627f6492d52c5d2ba545
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  40 5.9 59
  41 3.3 33
  43 2.9 29
  44 0.59 6
  45 3.6 36
  47 3.2 32
  48 1.7 17
  49 0.11 1
  50 1.9 19
  51 2 20
  55 2.7 27
  56 0.21 2
  57 4.3 43
  67 1.1 11
  69 2.4 24
  71 0.32 3
  74 2 20
  75 4.5 45
  76 5.9 59
  77 0.29 3
  79 1.6 16
  80 4.7 47
  81 1.6 16
  82 0.51 5
  87 3 30
  95 1.4 14
  97 1.6 16
  99 0.22 2
  100 6 60
  101 1.7 17
  102 2 20
  124 0.18 2
  125 6.3 63
  126 39.8 398
  127 4.9 49
  136 0.19 2
  137 3.4 34
  137.5 3.1 31
  138 2.3 23
  149 1.49 15
  149.5 2.2 22
  150.5 8.1 81
  151 15.5 155
  151.5 0.87 9
  152 10.6 106
  153 1.5 15
  157 1.5 15
  162.5 0.13 1
  163 3 30
  163.5 16.4 164
  164 23.8 238
  164.5 3.34 33
  165 51.8 518
  165.5 12.9 129
  166 1.6 16
  176 0.16 2
  198 1.1 11
  199 9 90
  200 4.8 48
  201 0.29 3
  202 1.5 15
  203.5 1.3 13
  204 1.3 13
  204.5 1.41 14
  205 5.5 55
  205.5 17.1 171
  206 3.8 38
  223 0.11 1
  225 3.8 38
  226 6 60
  227 8.8 88
  228 0.3 3
  251 1.6 16
  252 8.4 84
  253 7.5 75
  254 0.2 2
  280 2.5 25
  301 1.5 15
  302 1.7 17
  303 0.13 1
  327 6.2 62
  328 6.2 62
  329 15.9 159
  330 0.93 9
  331 9.2 92
  332 2.2 22
  333 11 110
  334 0.21 2
  335 1.5 15
  407 9.5 95
  408 17.9 179
  409 2.65 27
  410 19.3 193
  411 18.8 188
  412 5.2 52
  435 0.11 1
  487 44.1 441
  488 52.9 529
  489 93.4 934
  490 99.99 999
  491 64.5 645
  492 54.6 546
  493 10.1 101
//