ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004397
RECORD_TITLE: 2,3-DIMETHYL-8-NITROPYRROLO(2,3-F)QUINOLINE; 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$NAME: 2,3-DIMETHYL-8-NITROPYRROLO(2,3-F)QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H11N3O2
CH$EXACT_MASS: 241.08513
CH$SMILES: CC1=C(NC2=C1C=CC3=NC=C(C=C32)[N+](=O)[O-])C
CH$IUPAC: InChI=1S/C13H11N3O2/c1-7-8(2)15-13-10(7)3-4-12-11(13)5-9(6-14-12)16(17)18/h3-6,15H,1-2H3
CH$LINK: INCHIKEY YIWGZJCOYMLLIP-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
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: splash10-0006-4490000000-5c037a983812750d6eb5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 7.7 77
  43 12.4 124
  44 15.4 154
  45 0.46 5
  56 9.2 92
  57 10.7 107
  69 6.2 62
  83 0.31 3
  97 3.1 31
  167 4.6 46
  168 6.9 69
  179 0.31 3
  180 2.5 25
  183 3 30
  193 3.1 31
  194 0.46 5
  195 33 330
  196 3.1 31
  211 2.3 23
  226 0.23 2
  240 10 100
  241 99.99 999
  242 7.7 77
//
