ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004418
RECORD_TITLE: ETHYL 1,2,5-TRIMETHYL-6-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$NAME: ETHYL 1,2,5-TRIMETHYL-6-NITROINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆N₂O₄
CH$EXACT_MASS: 276.11101
CH$SMILES: CCOC(=O)c(c(C)1)c(c2)c(cc([N+1]([O-1])=O)c(C)2)n(C)1
CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)13-9(3)15(4)12-7-11(16(18)19)8(2)6-10(12)13/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY IKVOYGADRHGINX-UHFFFAOYSA-N

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$SPLASH: splash10-056r-7290000000-dac9154948c174d5b697
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 12.2 122
  41 9.6 96
  42 27.4 274
  45 0.28 3
  51 4.1 41
  52 1.3 13
  53 1.4 14
  54 0.18 2
  55 17.1 171
  56 15.2 152
  57 17.7 177
  67 0.41 4
  68 2 20
  69 20.5 205
  71 18.1 181
  77 0.21 2
  78 1.2 12
  79 1.3 13
  81 9.8 98
  82 0.36 4
  83 6.9 69
  84 2.1 21
  90 1.4 14
  91 0.27 3
  92 1.4 14
  93 1.1 11
  95 3.6 36
  96 0.14 1
  97 1.2 12
  98 1.9 19
  99 3.2 32
  103 0.42 4
  111 3.6 36
  115 5.7 57
  116 5.9 59
  117 1.41 14
  118 5.1 51
  142 8.9 89
  143 12.1 121
  157 2.41 24
  158 5.6 56
  185 12.2 122
  186 1.4 14
  200 2.4 24
  203 11 110
  213 6 60
  214 1 10
  230 0.9 9
  231 45.1 451
  259 54.1 541
  276 99.99 999
  277 13.2 132
//