MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004426
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004426
RECORD_TITLE: ETHYL 2-METHYL-6-NITRO-1,7-TRIMETHYLENEINDOLE-3-CARBOXYLATE; 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$NAME: ETHYL 2-METHYL-6-NITRO-1,7-TRIMETHYLENEINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H16N2O4
CH$EXACT_MASS: 288.11101
CH$SMILES: CCOC(=O)c(c(C)1)c(c3)c(c2c([N+1]([O-1])=O)c3)n(CCC2)1
CH$IUPAC: InChI=1S/C15H16N2O4/c1-3-21-15(18)13-9(2)16-8-4-5-10-12(17(19)20)7-6-11(13)14(10)16/h6-7H,3-5,8H2,1-2H3
CH$LINK: INCHIKEY
LVPQPHQRBMXNOL-UHFFFAOYSA-N
AC$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: splash10-052u-5490000000-f581568397ae44625d13
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
41 13.8 138
42 2.7 27
43 26.2 262
44 0.55 6
45 3 30
54 1.8 18
55 20.7 207
56 0.41 4
57 24.1 241
63 1.4 14
65 5.2 52
67 4.8 48
68 0.25 3
69 16.9 169
70 3.3 33
71 11 110
73 0.36 4
77 2.5 25
81 6.1 61
82 3.6 36
83 1.07 11
84 5.2 52
87 1.1 11
89 0.11 1
91 1.4 14
93 1.1 11
95 4.5 45
96 0.32 3
97 8 80
98 5.7 57
99 1.8 18
101 0.14 1
109 2 20
110 1.4 14
111 3 30
112 0.13 1
114 2.2 22
115 6.3 63
116 1.8 18
117 0.1 1
123 1.5 15
125 1.3 13
127 3.7 37
128 0.25 3
129 3.1 31
130 1.4 14
139 2.5 25
140 0.45 5
141 5 50
143 1.7 17
152 1.1 11
153 0.16 2
154 4.5 45
155 2 20
156 2.5 25
157 0.37 4
158 1.4 14
167 12.8 128
168 20.7 207
169 0.83 8
170 6 60
171 2.9 29
182 1.1 11
183 0.21 2
184 8 80
185 4.5 45
186 3.2 32
187 0.25 3
196 13.4 134
197 10.7 107
198 6.7 67
199 0.39 4
201 2.3 23
211 1.7 17
212 5.3 53
213 1.97 20
214 9 90
215 1.7 17
216 6.7 67
217 0.17 2
225 3.2 32
226 1.8 18
227 2.3 23
228 0.13 1
229 4.4 44
230 2.1 21
231 1.1 11
239 0.14 1
241 27.6 276
242 19 190
243 25.9 259
244 0.66 7
257 1.7 17
258 6.3 63
259 26.2 262
260 0.36 4
271 38.6 386
272 5.4 54
288 99.99 999
289 19.3 193
//