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
//