MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001981
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001981
RECORD_TITLE: ETHYL 6-NITROINDOLE-2-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$NAME: ETHYL 6-NITROINDOLE-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10N2O4
CH$EXACT_MASS: 234.06406
CH$SMILES: CCOC(=O)C1=CC2=C(N1)C=C(C=C2)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3
CH$LINK: INCHIKEY
SOMZLSPJSSDTAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10346926
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$SPLASH: splash10-000i-4900000000-4c66ea6fc7d89656c4ab
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
39 3.5 35
41 6.3 63
42 1.4 14
43 1.52 15
44 2.1 21
45 8.1 81
51 1.1 11
52 0.16 2
55 1 10
56 8.7 87
57 2.4 24
58 1.14 11
61 3 30
62 1.1 11
63 4.8 48
64 0.36 4
65 1.3 13
66 1 10
68 2.1 21
69 0.14 1
70 7.8 78
71 1.9 19
72 4.9 49
74 0.3 3
76 1.6 16
77 3.5 35
78 2.2 22
82 0.24 2
83 1.9 19
84 4.4 44
85 2.2 22
86 0.25 3
88 4 40
89 8.2 82
90 2.4 24
96 0.17 2
97 1.6 16
98 3.5 35
99 1.4 14
103 0.28 3
104 1.3 13
105 1.4 14
112 1.4 14
114 0.11 1
115 48.7 487
116 9.8 98
117 2.1 21
130 0.13 1
131 6.2 62
132 1.4 14
135 1 10
143 3.82 38
144 9.5 95
159 7.1 71
160 1 10
161 0.16 2
162 1 10
163 1 10
173 1 10
174 0.1 1
189 99.99 999
190 14.8 148
204 1.3 13
234 9.05 91
235 8.4 84
//