MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000427
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000427
RECORD_TITLE: 5-BROMO-4-NITROINDOLINE; 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$NAME: 5-BROMO-4-NITROINDOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7BrN2O2
CH$EXACT_MASS: 241.96909
CH$SMILES: [O-1][N+1](=O)c(c(Br)1)c(C2)c(NC2)cc1
CH$IUPAC: InChI=1S/C8H7BrN2O2/c9-6-1-2-7-5(3-4-10-7)8(6)11(12)13/h1-2,10H,3-4H2
CH$LINK: INCHIKEY
JJQZFMFVYQSWQX-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aou-9220000000-4c2a75a5cf8e4c92266d
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
46 1.1 11
50 1.5 15
51 2.6 26
52 0.17 2
53 2.3 23
54 8.2 82
55 79.4 794
56 2.51 25
57 99.99 999
58 2.7 27
58.5 1.1 11
59 0.12 1
60 19.2 192
61 5 50
62 2.1 21
63 0.61 6
64 1.5 15
65 2 20
66 1.4 14
67 2.51 25
68 14.6 146
69 78.1 781
70 18.7 187
71 3.15 32
72 1.2 12
73 23.3 233
74 1.8 18
75 0.14 1
76 1.4 14
77 2.9 29
78 2.3 23
79 0.38 4
80 2.9 29
81 25.6 256
82 21 210
83 5.2 52
84 23.7 237
85 23.3 233
86 2.9 29
87 0.38 4
88 1.8 18
89 18.2 182
90 14.6 146
91 0.33 3
93 2.3 23
94 2.1 21
95 15.5 155
96 1.82 18
97 36.4 364
98 14.6 146
99 3.2 32
101 0.2 2
104 1.4 14
105 2.9 29
107 1.5 15
108 0.12 1
109 7 70
110 6.2 62
111 11.9 119
112 0.27 3
113 2 20
114 1.5 15
115 7.8 78
116 2.31 23
117 27.4 274
118 1.5 15
119 1.1 11
121 0.21 2
123 4.6 46
124 2.7 27
125 3.6 36
126 0.11 1
127 2.3 23
129 4.9 49
132 1.5 15
133 0.33 3
135 1.2 12
137 2.7 27
138 1.8 18
139 0.15 2
141 1.1 11
143 1.1 11
149 1.2 12
152 0.17 2
162 1.8 18
169 2.6 26
194 1.1 11
195 0.29 3
196 17.4 174
197 4.1 41
198 18.3 183
199 0.11 1
212 1.1 11
236 2.7 27
237 1.1 11
241 0.23 2
242 74 740
243 7.6 76
244 69.9 699
245 3 30
//