MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011273
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011273
RECORD_TITLE: META-BROMONITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: META-BROMONITROBENZENE
CH$NAME: 3-BROMONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4BrNO2
CH$EXACT_MASS: 200.94254
CH$SMILES: [O-1][N+1](=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
CH$LINK: INCHIKEY
FWIROFMBWVMWLB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3060409
AC$INSTRUMENT: HITACHI M-80A
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: splash10-0zi0-9540000000-24e842b46d470da10f15
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
26 1.81 18
27 1.26 13
30 62.11 621
37 5.89 59
38 8.96 90
39 5.48 55
40 1.1 11
46 6.38 64
49 3.74 37
50 60 600
51 9.45 95
61 2.32 23
62 3.12 31
63 11.31 113
64 7.58 76
65 1.01 10
69 3.66 37
73 4.18 42
74 26.09 261
75 83.58 836
76 86.1 861
77 7.13 71
79 1.29 13
81 1.25 13
90 2.52 25
92 8.67 87
117 1.71 17
119 1.56 16
129 1.96 20
131 1.93 19
143 24.68 247
144 1.44 14
145 23.79 238
146 1.4 14
155 67.26 673
156 5.71 57
157 64.95 650
158 5.25 53
169 1.03 10
171 10.5 105
172 1.2 12
173 9.34 93
185 13.69 137
186 1.33 13
188 1.31 13
201 99.99 999
202 9.55 96
203 98.73 987
204 9.2 92
//