ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000431
RECORD_TITLE: 2-METHYL-5-NITROINDOLE; 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$NAME: 2-METHYL-5-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8N2O2
CH$EXACT_MASS: 176.05858
CH$SMILES: CC1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
CH$LINK: INCHIKEY IDJGRXQMAHESOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40299658
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$SPLASH: splash10-00pi-9600000000-8d51855acc0f7c86f575
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  45 8.7 87
  55 33.3 333
  56 9.7 97
  57 6.17 62
  60 23.6 236
  61 3.5 35
  67 6.3 63
  68 0.52 5
  69 80.2 802
  70 9.4 94
  71 33.3 333
  73 3.44 34
  77 12.2 122
  81 27.7 277
  82 8 80
  83 2.43 24
  84 8.3 83
  85 13.2 132
  87 3.1 31
  95 0.97 10
  96 5.9 59
  97 17.7 177
  98 6.3 63
  102 0.31 3
  103 23.6 236
  109 3.8 38
  111 5.6 56
  118 0.38 4
  123 3.1 31
  129 12.8 128
  130 66.7 667
  131 0.35 4
  137 3.1 31
  146 5.9 59
  176 99.99 999
  177 13.5 135
//
