ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004399
RECORD_TITLE: 2,3-DIMETHYL-5-NITRO-1,7-TRIMETHYLENEINDOLE; 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$NAME: 2,3-DIMETHYL-5-NITRO-1,7-TRIMETHYLENEINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O2
CH$EXACT_MASS: 230.10553
CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(C)1)c(c23)n(CCC2)c(C)1
CH$IUPAC: InChI=1S/C13H14N2O2/c1-8-9(2)14-5-3-4-10-6-11(15(16)17)7-12(8)13(10)14/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY NCJQZHIMDPIVGX-UHFFFAOYSA-N
AC$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: splash10-001i-9330000000-c7241ab88daeb7464953
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  45 47 470
  53 4 40
  54 4 40
  55 5.23 52
  56 10.9 109
  57 50 500
  60 22.7 227
  67 1.19 12
  68 8.3 83
  69 30 300
  70 9.1 91
  71 2.12 21
  73 17.9 179
  77 4.5 45
  79 3.5 35
  81 3.26 33
  82 5.8 58
  83 17.2 172
  84 5.3 53
  85 0.91 9
  91 3.3 33
  93 3.8 38
  95 8.8 88
  96 0.38 4
  97 11.7 117
  98 3.5 35
  109 3.3 33
  111 0.4 4
  115 6.6 66
  129 4.8 48
  137 3.8 38
  156 0.81 8
  167 3 30
  168 3.8 38
  169 3.8 38
  182 0.56 6
  183 15.2 152
  184 47.7 477
  185 5.6 56
  200 0.4 4
  229 10.1 101
  230 99.99 999
  231 14.8 148
//
