MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004453
RECORD_TITLE: 6-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE; 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$NAME: 6-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7FN2O
CH$EXACT_MASS: 190.05424
CH$SMILES: Fc(c2)ccc(c2)C(N=1)=CC(=O)NC1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY
UWDUMRWLLYZYBY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30345552
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$SPLASH: splash10-0006-1900000000-57d528650e9eb1d401a1
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
50 2.4 24
51 2.3 23
56 0.6 6
57 0.24 2
60 0.8 8
63 1.2 12
67 0.7 7
67.5 0.12 1
68 3.9 39
70 0.6 6
73 0.6 6
74 0.19 2
75 3.9 39
76 0.8 8
82 0.6 6
83 0.22 2
85 1.4 14
94 3.6 36
95 8.8 88
96 0.19 2
99 0.8 8
101 0.6 6
107 5.1 51
108 0.58 6
111 0.8 8
120 7 70
121 4 40
122 2.55 26
123 4.3 43
134 5.1 51
135 8.1 81
136 0.12 1
140 0.6 6
146 0.6 6
147 2.2 22
149 0.09 1
161 2.4 24
162 14.3 143
163 2.3 23
171 0.08 1
189 48.5 485
190 99.99 999
191 11.4 114
192 0.8 8
//