ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005078
RECORD_TITLE: METHYL 2-(4,6-DIPHENYL-2-PYRIMIDINYLAMINO)BENZOATE; 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$NAME: METHYL 2-(4,6-DIPHENYL-2-PYRIMIDINYLAMINO)BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₁₉N₃O₂
CH$EXACT_MASS: 381.14773
CH$SMILES: COC(=O)c(c4)c(ccc4)Nc(n1)nc(c(c3)cccc3)cc(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C24H19N3O2/c1-29-23(28)19-14-8-9-15-20(19)25-24-26-21(17-10-4-2-5-11-17)16-22(27-24)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,26,27)
CH$LINK: INCHIKEY XOQLGPYABGAZCJ-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$SPLASH: splash10-00di-3209000000-c606a92a48f1cbe6f229
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  39 3.6 36
  50 2.1 21
  51 5.3 53
  52 0.24 2
  59 2.3 23
  63 4.3 43
  64 2.8 28
  65 0.2 2
  75 2.1 21
  76 4.5 45
  77 17.4 174
  78 0.29 3
  89 1.9 19
  90 10.5 105
  91 2.1 21
  92 0.19 2
  101 1.9 19
  102 7.8 78
  103 2.8 28
  104 0.44 4
  115 1 10
  116 4.8 48
  117 2.8 28
  128 0.27 3
  129 5.9 59
  144 3.1 31
  145 2.4 24
  153 0.16 2
  165 1.1 11
  176 1.3 13
  178 1 10
  189 0.1 1
  190 1.9 19
  191 1.3 13
  203 1.1 11
  204 0.17 2
  205 1.2 12
  218 1.2 12
  219 1 10
  220 0.34 3
  231 2.8 28
  232 1 10
  243 1 10
  244 0.12 1
  246 1.1 11
  318 1 10
  320 8.4 84
  321 0.73 7
  322 99.99 999
  323 23.1 231
  324 2.8 28
  332 0.1 1
  348 3.6 36
  349 1.4 14
  350 1.7 17
  380 0.16 2
  381 12.4 124
  382 2.8 28
  383 1 10
//