MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003033
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003033
RECORD_TITLE: 9-NITROANTHRACENE; 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$NAME: 9-NITROANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H9NO2
CH$EXACT_MASS: 223.06333
CH$SMILES: [O-1][N+1](=O)c(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
CH$LINK: INCHIKEY
LSIKFJXEYJIZNB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025730
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-2910000000-0331beccfc6b5f2915c0
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
39 12.4 124
50 9.2 92
51 11.9 119
52 0.22 2
61 1.1 11
62 9.2 92
63 16.2 162
64 0.16 2
65 1.1 11
69 1.1 11
70 3.2 32
73 0.05 1
74 14.6 146
75 25.4 254
76 9.2 92
77 5.94 59
78 1.6 16
80 1.1 11
81 1.1 11
82 0.32 3
83 1.1 11
85 1.1 11
86 7 70
87 1.51 15
88 46.5 465
89 4.9 49
98 8.1 81
99 0.07 1
100 3.2 32
101 2.7 27
102 1.6 16
110 0.22 2
111 3.2 32
112 1.1 11
113 2.2 22
114 0.11 1
115 4.3 43
122 2.2 22
123 2.2 22
124 0.16 2
125 2.7 27
126 7 70
127 3.1 31
137 0.16 2
138 1.1 11
139 9.2 92
140 4.3 43
149 0.65 7
150 27 270
151 38.9 389
152 9.2 92
153 0.32 3
154 1 10
162 2.7 27
163 13.4 134
164 1.35 14
165 88.6 886
166 19.5 195
167 25.4 254
168 0.43 4
173 1.6 16
174 13.5 135
175 26.5 265
176 99.99 999
177 85.9 859
178 24.9 249
179 10.3 103
180 0.16 2
193 80.5 805
194 15.1 151
195 10.8 108
222 0.22 2
223 88.6 886
224 14.1 141
225 1.6 16
//