MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004417
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004417
RECORD_TITLE: ETHYL 1,2,7-TRIMETHYL-4-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$NAME: ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H16N2O4
CH$EXACT_MASS: 276.11101
CH$SMILES: CCOC(=O)c(c(C)1)c(c([N+1]([O-1])=O)2)c(c(C)cc2)n(C)1
CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)11-9(3)15(4)13-8(2)6-7-10(12(11)13)16(18)19/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY
OTGJOVPKDZGPDA-UHFFFAOYSA-N
AC$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: splash10-004i-7590000000-8837002e24726c559779
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
39 3 30
41 14.2 142
42 2.7 27
43 2.11 21
44 4.1 41
45 2 20
51 1.2 12
54 0.1 1
55 18.3 183
56 14 140
57 16 160
67 0.41 4
68 2.1 21
69 28 280
70 2.9 29
71 1.03 10
77 5.8 58
78 2.1 21
79 1.2 12
81 1.2 12
82 4.5 45
83 10 100
84 2.7 27
90 0.12 1
91 1.8 18
92 1.5 15
93 3.7 37
96 0.43 4
97 4.2 42
98 1.2 12
111 3.8 38
115 1.84 18
116 5.3 53
117 5 50
118 1.8 18
130 0.46 5
144 25 250
145 4.7 47
149 3.4 34
157 7.22 72
158 8.1 81
172 25.3 253
173 5.6 56
174 0.15 2
185 12.4 124
186 4 40
200 17 170
201 0.53 5
203 19.1 191
204 6 60
230 21.2 212
231 5.02 50
276 99.99 999
277 11.2 112
//