MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004454
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004454
RECORD_TITLE: 6-(3-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$NAME: 6-(3-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7FN2O
CH$EXACT_MASS: 190.05424
CH$SMILES: O=C(N2)C=C(N=C2)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY
YWRPJIHIQQSAFE-UHFFFAOYSA-N
AC$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-1900000000-45358e0e6514f630da60
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
51 1.1 11
52 0.7 7
56 0.7 7
57 0.23 2
60 1 10
61 0.6 6
62 0.8 8
63 0.12 1
64 0.5 5
67.5 1.4 14
68 5.9 59
69 0.06 1
70 0.6 6
73 0.6 6
74 1.9 19
75 0.44 4
76 1.1 11
79 0.6 6
82 0.6 6
83 0.06 1
85 0.7 7
87 0.6 6
88 0.5 5
89 0.05 1
91 0.5 5
92 0.5 5
94 3.4 34
94.5 0.06 1
95 9 90
96 1.9 19
99 1 10
101 0.07 1
106 0.6 6
107 5.4 54
108 4.7 47
110 0.05 1
111 1.5 15
115 1.1 11
120 4.9 49
121 0.29 3
122 22.3 223
123 2.6 26
125 0.5 5
126 0.07 1
133 0.5 5
134 5.9 59
135 7.4 74
136 0.15 2
141 0.5 5
146 0.7 7
147 2.1 21
149 0.06 1
160 0.6 6
161 2.7 27
162 12.2 122
163 0.23 2
171 2.2 22
189 62.4 624
190 99.99 999
191 1.1 11
192 0.8 8
//