MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007891
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007891
RECORD_TITLE: 5-AMINO-4,6-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$NAME: 5-AMINO-4,6-DIPHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13N3
CH$EXACT_MASS: 247.11095
CH$SMILES: c(c3)ccc(c3)c(n2)c(N)c(nc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13N3/c17-14-15(12-7-3-1-4-8-12)18-11-19-16(14)13-9-5-2-6-10-13/h1-11H,17H2
CH$LINK: INCHIKEY
UVAWOHSHUUQNHC-UHFFFAOYSA-N
AC$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: splash10-0002-2190000000-fe0064ae02154f2a84b6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
44 6.1 61
45 1.7 17
46 1.4 14
48 0.3 3
55 5.2 52
57 4.4 44
60 2.8 28
62 0.13 1
63 3.8 38
64 1 10
70 2.1 21
76 0.17 2
77 3.4 34
82 1.2 12
84 1.1 11
87 0.39 4
88 1.3 13
89 13.3 133
90 5.7 57
95 0.11 1
103 1.6 16
104 4.9 49
110 2 20
114 0.16 2
115 1.6 16
116 6.1 61
117 1.7 17
118 0.11 1
120 1.1 11
123 2.2 22
124 1.1 11
129 0.11 1
141 1.2 12
142 1.3 13
143 1.6 16
149 1.44 14
150 1.6 16
165 2.4 24
168 5.5 55
170 0.13 1
218 1.1 11
219 3.5 35
244 1.7 17
245 0.14 1
246 99.99 999
247 72 720
248 13.2 132
249 1.1 11
//