MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004473
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004473
RECORD_TITLE: 5-PHENYL-2H-PYRIMIDO(1,2-B)(1,2,4)OXADIAZOL-2-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$NAME: 5-PHENYL-2H-PYRIMIDO(1,2-B)(1,2,4)OXADIAZOL-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H7N3O2
CH$EXACT_MASS: 213.05383
CH$SMILES: O=C(O1)N=C(N=2)N(C=CC2c(c3)cccc3)1
CH$IUPAC: InChI=1S/C11H7N3O2/c15-11-13-10-12-9(6-7-14(10)16-11)8-4-2-1-3-5-8/h1-7H
CH$LINK: INCHIKEY
LOVGUMOTBPBRIX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12908025
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$SPLASH: splash10-03fu-9840000000-cabe09096819eb999741
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
36 1.2 12
37 0.8 8
38 1.9 19
39 0.64 6
40 1.9 19
41 3.7 37
42 1.2 12
43 0.08 1
44 32.4 324
45 1.6 16
46 0.7 7
47 0.03 0
49 0.6 6
50 9 90
51 26.2 262
52 0.36 4
53 3.3 33
54 0.5 5
55 0.5 5
56 0.05 1
56.5 0.4 4
57 1.7 17
57.5 3.4 34
58 0.04 0
58.5 0.2 2
61 1 10
62 2.9 29
63 0.66 7
64 3.3 33
65 3.2 32
66 3.4 34
67 0.11 1
68 0.4 4
69 0.3 3
69.5 0.2 2
70 0.07 1
70.5 0.5 5
73 0.4 4
74 3.7 37
75 0.53 5
76 8.1 81
77 58.6 586
78 5.3 53
79 0.03 0
81 0.3 3
83 1.8 18
85 1.2 12
85.5 0.07 1
86 0.5 5
87 1.2 12
88 2.8 28
89 0.6 6
90 3.4 34
91 2.6 26
92 1.4 14
93 1.72 17
94 1.3 13
95 0.3 3
98 0.5 5
99 0.06 1
100 1 10
101 4.4 44
102 8.7 87
103 1.19 12
104 3.4 34
105 3.8 38
106 0.3 3
106.5 0.06 1
109 0.2 2
113 2.8 28
114 20.5 205
115 2.28 23
116 6.2 62
117 2.6 26
118 2 20
119 0.28 3
120 0.4 4
121 0.3 3
126 0.3 3
127 0.18 2
128 7.7 77
129 10.3 103
130 1.5 15
131 0.02 0
139 0.4 4
140 32.8 328
141 7.1 71
142 4.83 48
143 7.4 74
144 1.7 17
145 0.5 5
146 0.03 0
149 0.2 2
153 0.4 4
154 0.3 3
155 0.86 9
156 1.5 15
157 0.3 3
158 0.6 6
159 0.02 0
168 5.8 58
169 8.1 81
170 25.7 257
171 2.59 26
172 2.8 28
173 0.2 2
183 0.7 7
186 0.07 1
187 1.9 19
188 0.2 2
196 0.2 2
197 0.05 1
198 0.3 3
212 1.4 14
213 99.99 999
214 1.47 15
215 1.3 13
//