MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005078
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
//
system version 2.2.8-SNAPSHOT