MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011272
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011272
RECORD_TITLE: ORTHO-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$NAME: ORTHO-BROMONITROBENZENE
CH$NAME: 2-BROMONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4BrNO2
CH$EXACT_MASS: 200.94254
CH$SMILES: [O-1][N+1](=O)c(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
CH$LINK: INCHIKEY
ORPVVAKYSXQCJI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060364
AC$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: splash10-0ufr-9520000000-e4a898e6627dc87eda3d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
26 2.42 24
27 2.74 27
28 4.28 43
29 1.62 16
30 81.04 810
37 6.97 70
38 10.14 101
39 11.03 110
40 2.66 27
46 6.02 60
49 4.54 45
50 72.12 721
51 12.68 127
52 1.33 13
53 2.08 21
61 2.26 23
62 3.26 33
63 16.35 164
64 12.67 127
65 1.3 13
73 3.94 39
74 24.81 248
75 99.99 999
76 92.89 929
77 7.28 73
78 3.97 40
79 1.5 15
81 1.44 14
90 1.91 19
92 17.07 171
93 1.29 13
94 1.88 19
117 2.67 27
119 2.53 25
122 3.62 36
129 2.43 24
131 2.36 24
143 44.12 441
144 2.56 26
145 42.5 425
146 2.38 24
155 54.19 542
156 4.76 48
157 52.8 528
158 4.03 40
171 28.38 284
172 2.3 23
173 27.49 275
174 2.08 21
185 10.03 100
187 9.7 97
201 76.52 765
202 6.83 68
203 74.38 744
204 6.52 65
//