ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004392
RECORD_TITLE: 7-METHOXY-1,2,3-TRIMETHYL-6-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$NAME: 7-METHOXY-1,2,3-TRIMETHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2O3
CH$EXACT_MASS: 234.10044
CH$SMILES: COc(c([N+1]([O-1])=O)2)c(n(C)1)c(cc2)c(C)c(C)1
CH$IUPAC: InChI=1S/C12H14N2O3/c1-7-8(2)13(3)11-9(7)5-6-10(14(15)16)12(11)17-4/h5-6H,1-4H3
CH$LINK: INCHIKEY HRSSMGVUTYPSFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30345456
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$SPLASH: splash10-00li-2890000000-3519d787587258278369
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  43 2.6 26
  44 1.3 13
  45 16 160
  55 0.11 1
  56 1.8 18
  57 3.1 31
  60 3.1 31
  69 1.6 16
  70 1.3 13
  71 2.3 23
  73 3.2 32
  81 0.51 5
  82 1.5 15
  83 2.3 23
  84 1.6 16
  85 0.15 2
  86 1.3 13
  95 1.8 18
  97 2.1 21
  98 0.13 1
  109 1.1 11
  111 1.1 11
  115 1 10
  117 0.1 1
  121 2.3 23
  123 1.4 14
  127 1 10
  129 0.18 2
  130 2.1 21
  136 1.8 18
  137 2.7 27
  143 0.16 2
  144 3.6 36
  145 4.2 42
  146 1.1 11
  149 0.14 1
  157 1.6 16
  158 5 50
  159 2 20
  160 0.19 2
  161 4.7 47
  171 1.4 14
  172 7.8 78
  173 1.18 12
  174 10.5 105
  175 1.8 18
  185 2.4 24
  186 0.32 3
  187 99.99 999
  188 20 200
  189 10.5 105
  190 0.18 2
  191 3 30
  202 2.5 25
  203 6.2 62
  204 0.27 3
  205 1.3 13
  216 2.1 21
  217 97 970
  218 1.3 13
  219 1.3 13
  234 86.4 864
  235 9.6 96
//
