MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004418
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004418
RECORD_TITLE: ETHYL 1,2,5-TRIMETHYL-6-NITROINDOLE-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$NAME: ETHYL 1,2,5-TRIMETHYL-6-NITROINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H16N2O4
CH$EXACT_MASS: 276.11101
CH$SMILES: CCOC(=O)c(c(C)1)c(c2)c(cc([N+1]([O-1])=O)c(C)2)n(C)1
CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)13-9(3)15(4)12-7-11(16(18)19)8(2)6-10(12)13/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY
IKVOYGADRHGINX-UHFFFAOYSA-N
AC$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: splash10-056r-7290000000-dac9154948c174d5b697
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
39 12.2 122
41 9.6 96
42 27.4 274
45 0.28 3
51 4.1 41
52 1.3 13
53 1.4 14
54 0.18 2
55 17.1 171
56 15.2 152
57 17.7 177
67 0.41 4
68 2 20
69 20.5 205
71 18.1 181
77 0.21 2
78 1.2 12
79 1.3 13
81 9.8 98
82 0.36 4
83 6.9 69
84 2.1 21
90 1.4 14
91 0.27 3
92 1.4 14
93 1.1 11
95 3.6 36
96 0.14 1
97 1.2 12
98 1.9 19
99 3.2 32
103 0.42 4
111 3.6 36
115 5.7 57
116 5.9 59
117 1.41 14
118 5.1 51
142 8.9 89
143 12.1 121
157 2.41 24
158 5.6 56
185 12.2 122
186 1.4 14
200 2.4 24
203 11 110
213 6 60
214 1 10
230 0.9 9
231 45.1 451
259 54.1 541
276 99.99 999
277 13.2 132
//