ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000429
RECORD_TITLE: 2-METHYL-6-NITROINDOLIZINE; 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$NAME: 2-METHYL-6-NITROINDOLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8N2O2
CH$EXACT_MASS: 176.05858
CH$SMILES: [O-1][N+1](=O)C(C=2)=Cn(c1)c(C2)cc(C)1
CH$IUPAC: InChI=1S/C9H8N2O2/c1-7-4-8-2-3-9(11(12)13)6-10(8)5-7/h2-6H,1H3
CH$LINK: INCHIKEY MAZOIJIDRZDDKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00326550
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$SPLASH: splash10-004i-1900000000-cb61b5b8f9d45112d5f9
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 1.1 11
  43 1.3 13
  50 3.8 38
  51 0.88 9
  52 4.1 41
  53 2.2 22
  57 1.5 15
  63 0.41 4
  74 1 10
  75 1.9 19
  76 3.8 38
  77 3.09 31
  78 2.5 25
  88 1.5 15
  101 1.2 12
  102 0.89 9
  103 27.5 275
  104 2.8 28
  117 1 10
  118 0.44 4
  128 4.4 44
  129 4.1 41
  175 1.2 12
  176 99.99 999
  177 10.7 107
//
