ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004401
RECORD_TITLE: ETHYL 1,2-DIMETHYL-4-NITROINDOLE-3-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$NAME: ETHYL 1,2-DIMETHYL-4-NITROINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂O₄
CH$EXACT_MASS: 262.09536
CH$SMILES: CCOC(=O)c(c(C)1)c(c2[N+1]([O-1])=O)c(ccc2)n(C)1
CH$IUPAC: InChI=1S/C13H14N2O4/c1-4-19-13(16)11-8(2)14(3)9-6-5-7-10(12(9)11)15(17)18/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY JASOKHBUQKGMGB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:621730

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$SPLASH: splash10-02t9-6590000000-c80013106deda5b663db
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  41 13.9 139
  42 3.8 38
  43 24.3 243
  44 0.42 4
  45 3.7 37
  51 2.2 22
  54 1.1 11
  55 2.06 21
  56 13.9 139
  57 21.8 218
  60 2.5 25
  63 0.15 2
  67 4.7 47
  68 2.9 29
  69 31 310
  70 0.37 4
  71 9 90
  73 2.9 29
  75 2.5 25
  76 0.2 2
  77 5.3 53
  79 1.9 19
  81 10.7 107
  82 0.4 4
  83 8.9 89
  84 3.6 36
  85 4.4 44
  89 0.25 3
  91 2.5 25
  93 1.5 15
  95 4 40
  96 0.32 3
  97 7 70
  98 2.6 26
  99 1.1 11
  101 0.4 4
  102 2.6 26
  103 4.2 42
  104 1.7 17
  105 0.15 2
  109 2 20
  110 1.3 13
  111 2.6 26
  114 0.11 1
  115 12.3 123
  116 4.2 42
  117 4.4 44
  118 0.16 2
  121 1.1 11
  123 1.5 15
  125 1.1 11
  127 0.15 2
  128 1.6 16
  129 3.6 36
  130 4.6 46
  131 0.19 2
  132 2.5 25
  137 1.6 16
  141 1.3 13
  142 0.53 5
  143 14.3 143
  144 7.7 77
  145 1.2 12
  149 0.11 1
  157 1.6 16
  158 4.5 45
  159 5.2 52
  160 0.17 2
  170 13.9 139
  171 28.2 282
  172 5.7 57
  174 0.15 2
  181 1.9 19
  186 2.1 21
  187 7.5 75
  188 1.07 11
  189 2.6 26
  190 11.9 119
  204 1.5 15
  205 0.3 3
  216 35.7 357
  217 76.2 762
  218 6.1 61
  231 0.13 1
  232 2.2 22
  233 17.5 175
  234 8.2 82
  262 99.99 999
  263 10.8 108
//