MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002784
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002784
RECORD_TITLE: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE; 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$NAME: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2O2
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
CH$LINK: INCHIKEY
DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023510
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-8900000000-0e7a89b14902d3718a96
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
29 17.9 179
30 20.7 207
31 0.6 6
32 3.84 38
34 0.2 2
35 1.7 17
36 9.3 93
37 0.16 2
38 4.9 49
39 30.9 309
40 3.3 33
41 1.29 13
42 11.5 115
43 4.8 48
44 27.9 279
45 0.13 1
46 0.3 3
49 0.1 1
50 9.3 93
51 2.59 26
52 6.7 67
53 4.6 46
54 4.3 43
55 0.31 3
56 3.3 33
57 2.8 28
58 10.9 109
59 0.01 0
60 0.1 1
61 1.2 12
62 5.1 51
63 1.49 15
64 4.7 47
65 13 130
66 1.8 18
67 0.11 1
68 0.9 9
69 1.9 19
70 1 10
71 0.13 1
72 0.3 3
73 0.9 9
74 3.3 33
75 0.41 4
76 5.7 57
77 23.6 236
78 12.9 129
79 0.29 3
80 0.9 9
81 0.8 8
82 1.3 13
83 0.09 1
84 0.3 3
85 0.5 5
86 1.3 13
87 0.02 0
88 2.3 23
89 15.9 159
90 9.8 98
91 4.79 48
92 4.9 49
93 0.7 7
94 0.3 3
95 0.05 1
96 0.4 4
97 0.7 7
98 0.7 7
99 0.02 0
100 0.3 3
101 1.5 15
102 7.3 73
103 2.84 28
104 8.9 89
105 3.9 39
106 1.5 15
107 0.03 0
111 0.2 2
112 0.7 7
113 1.4 14
114 0.19 2
115 34.9 349
116 29.9 299
117 99.99 999
118 2.94 29
119 12.4 124
120 1.7 17
125 0.9 9
126 0.01 0
127 1.4 14
128 2.9 29
129 4.4 44
130 0.71 7
131 7.9 79
132 23.5 235
133 3.4 34
134 0.09 1
135 0.4 4
140 1.5 15
141 0.9 9
142 0.29 3
143 6 60
144 4.9 49
145 9.9 99
146 5.49 55
147 11 110
148 1.6 16
149 0.7 7
157 0.03 0
158 6.9 69
159 1 10
160 4.7 47
161 1.01 10
162 1.4 14
163 0.3 3
170 0.3 3
171 0.03 0
172 2.2 22
173 5.2 52
174 4.9 49
175 0.12 1
176 1.9 19
189 0.1 1
190 8 80
191 2.36 24
192 3.4 34
193 0.3 3
203 0.3 3
210 0.01 0
217 0.3 3
218 1.3 13
219 0.4 4
//