MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003277
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003277
RECORD_TITLE: N-ETHYL-2,4-DINITROBENZENAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: N-ETHYL-2,4-DINITROBENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9N3O4
CH$EXACT_MASS: 211.05931
CH$SMILES: CCNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3
CH$LINK: INCHIKEY
YYOUTZBUOQBAAE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00191780
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-a1f62e87280502386bce
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
42 1.6 16
43 10.3 103
46 2.9 29
50 7.6 76
51 12.6 126
52 15.2 152
53 3.8 38
61 4.2 42
63 18.1 181
64 13.3 133
65 15.2 152
66 11.3 113
67 2.4 24
74 5.5 55
75 11.1 111
76 16.8 168
77 19.8 198
78 99.99 999
79 12.6 126
80 7.9 79
88 3.5 35
89 5.9 59
90 12.2 122
91 24.6 246
92 17 170
93 11.1 111
94 2.4 24
102 3.3 33
103 8.3 83
104 26.5 265
105 6.8 68
106 8.7 87
107 2.2 22
108 5.5 55
109 3.5 35
111 3.3 33
116 4 40
117 15.7 157
118 25.7 257
119 16.1 161
120 14.2 142
121 9.2 92
122 14.8 148
123 3.3 33
126 2.9 29
130 3.3 33
131 5.5 55
132 8.5 85
134 6.8 68
137 3.7 37
138 10.5 105
146 3.3 33
147 6.8 68
148 3.1 31
149 9.8 98
150 16.1 161
151 10 100
152 3.7 37
157 3.5 35
163 3.5 35
164 9.2 92
166 16.1 161
167 4.6 46
176 8.3 83
177 4.2 42
178 3.5 35
179 2.9 29
180 3.3 33
181 4.4 44
194 6.3 63
195 6.1 61
196 67.1 671
197 3.7 37
198 3.5 35
211 34.1 341
212 3.1 31
//
system version 2.2.8-SNAPSHOT