MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001990
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001990
RECORD_TITLE: 6-METHOXY-2,3-DIMETHYL-5-NITROINDOLE; 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$NAME: 6-METHOXY-2,3-DIMETHYL-5-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O3
CH$EXACT_MASS: 220.08479
CH$SMILES: CC1=C(NC2=CC(=C(C=C12)[N+](=O)[O-])OC)C
CH$IUPAC: InChI=1S/C11H12N2O3/c1-6-7(2)12-9-5-11(16-3)10(13(14)15)4-8(6)9/h4-5,12H,1-3H3
CH$LINK: INCHIKEY
WNIBLLMFJUFEAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60346557
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$SPLASH: splash10-00dl-4970000000-0c750948f8407a78a5d8
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
39 4 40
41 4.1 41
42 8.8 88
43 0.5 5
45 1.4 14
51 3.6 36
52 1.6 16
53 0.15 2
55 3.4 34
57 5 50
60 1.5 15
63 0.36 4
65 1.9 19
69 3.4 34
71 2.5 25
73 0.18 2
75 1.3 13
76 2 20
77 9.9 99
78 0.24 2
81 1.2 12
83 15.9 159
85 8.8 88
89 0.3 3
91 2.6 26
97 1.4 14
102 3.5 35
103 0.5 5
104 1.8 18
110 2.4 24
115 7.1 71
116 0.25 3
117 3 30
118 1.7 17
128 3.4 34
129 0.41 4
130 8.2 82
131 34.6 346
132 2.6 26
142 0.31 3
143 21.8 218
144 48.7 487
145 4.7 47
146 0.88 9
147 14.8 148
159 8.8 88
160 3.7 37
173 0.21 2
174 2 20
205 33.5 335
206 1.7 17
219 0.25 3
220 99.99 999
221 11.7 117
//