ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004417
RECORD_TITLE: ETHYL 1,2,7-TRIMETHYL-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$NAME: ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆N₂O₄
CH$EXACT_MASS: 276.11101
CH$SMILES: CCOC(=O)c(c(C)1)c(c([N+1]([O-1])=O)2)c(c(C)cc2)n(C)1
CH$IUPAC: InChI=1S/C14H16N2O4/c1-5-20-14(17)11-9(3)15(4)13-8(2)6-7-10(12(11)13)16(18)19/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY OTGJOVPKDZGPDA-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$SPLASH: splash10-004i-7590000000-8837002e24726c559779
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  39 3 30
  41 14.2 142
  42 2.7 27
  43 2.11 21
  44 4.1 41
  45 2 20
  51 1.2 12
  54 0.1 1
  55 18.3 183
  56 14 140
  57 16 160
  67 0.41 4
  68 2.1 21
  69 28 280
  70 2.9 29
  71 1.03 10
  77 5.8 58
  78 2.1 21
  79 1.2 12
  81 1.2 12
  82 4.5 45
  83 10 100
  84 2.7 27
  90 0.12 1
  91 1.8 18
  92 1.5 15
  93 3.7 37
  96 0.43 4
  97 4.2 42
  98 1.2 12
  111 3.8 38
  115 1.84 18
  116 5.3 53
  117 5 50
  118 1.8 18
  130 0.46 5
  144 25 250
  145 4.7 47
  149 3.4 34
  157 7.22 72
  158 8.1 81
  172 25.3 253
  173 5.6 56
  174 0.15 2
  185 12.4 124
  186 4 40
  200 17 170
  201 0.53 5
  203 19.1 191
  204 6 60
  230 21.2 212
  231 5.02 50
  276 99.99 999
  277 11.2 112
//