MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001991
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001991
RECORD_TITLE: 6-METHOXY-2,3-DIMETHYL-7-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$NAME: 6-METHOXY-2,3-DIMETHYL-7-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O3
CH$EXACT_MASS: 220.08479
CH$SMILES: CC1=C(NC2=C1C=CC(=C2[N+](=O)[O-])OC)C
CH$IUPAC: InChI=1S/C11H12N2O3/c1-6-7(2)12-10-8(6)4-5-9(16-3)11(10)13(14)15/h4-5,12H,1-3H3
CH$LINK: INCHIKEY
QAOHBDPEVGQEAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30346569
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$SPLASH: splash10-05fr-4590000000-bc473a1446460de6463c
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
39 5.9 59
41 5.9 59
42 10.4 104
43 1.21 12
44 1.5 15
45 1.8 18
51 3.6 36
52 0.16 2
53 1.7 17
55 4.1 41
57 5.2 52
60 0.1 1
63 6.3 63
64 1.5 15
65 1.5 15
69 0.13 1
71 1.9 19
73 1.1 11
75 1.2 12
76 0.14 1
77 8.7 87
78 1.3 13
81 4.5 45
87 0.16 2
89 5.9 59
90 1.8 18
91 1.1 11
95 0.11 1
103 6.6 66
104 1.6 16
110 1.4 14
115 0.13 1
116 1.3 13
129 1.6 16
130 8.6 86
131 1.94 19
132 1 10
142 1 10
143 1.2 12
144 0.69 7
147 1 10
158 3.9 39
159 46.9 469
160 0.29 3
174 19.6 196
188 2.3 23
190 1 10
201 0.31 3
205 48 480
219 12.1 121
220 99.99 999
221 11.6 116
//