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
//