ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002000
RECORD_TITLE: 2-METHYL-8-NITROPYRROLO(3,2-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$NAME: 2-METHYL-8-NITROPYRROLO(3,2-F)QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉N₃O₂
CH$EXACT_MASS: 227.06948
CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(n3)2)c(C1)c(cc2)N=C(C)1
CH$IUPAC: InChI=1S/C12H9N3O2/c1-7-4-9-10-5-8(15(16)17)6-13-11(10)2-3-12(9)14-7/h2-3,5-6H,4H2,1H3
CH$LINK: INCHIKEY CVYXKRSWANJXDU-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$SPLASH: splash10-002f-9420000000-a603b3179a481283a8b7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41 47.4 474
  43 89.5 895
  44 47.4 474
  55 5.8 58
  57 68.5 685
  67 15.8 158
  69 36.8 368
  71 2.64 26
  81 13.2 132
  83 18.4 184
  84 13.2 132
  85 1.05 11
  90 10.5 105
  95 7.9 79
  97 10.5 105
  98 0.79 8
  127 23.7 237
  153 13.2 132
  154 84 840
  169 1.32 13
  181 68.5 685
  197 5.2 52
  227 99.99 999
  228 10.5 105
//