ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004387
RECORD_TITLE: 3-METHYL-6-NITRO-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE; 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$NAME: 3-METHYL-6-NITRO-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13N3O2
CH$EXACT_MASS: 231.10078
CH$SMILES: CC1CC2=C(CN1)C3=C(N2)C(=CC=C3)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C12H13N3O2/c1-7-5-10-9(6-13-7)8-3-2-4-11(15(16)17)12(8)14-10/h2-4,7,13-14H,5-6H2,1H3
CH$LINK: INCHIKEY KKDSSFLSVBMYMO-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-1910000000-b7b08f681962ed232f99
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  42 5.4 54
  43 3.2 32
  44 8.2 82
  89 0.22 2
  91 2.6 26
  92 3.2 32
  115 10.9 109
  142 3.52 35
  143 3.2 32
  158 3.3 33
  172 1.3 13
  184 0.57 6
  188 99.99 999
  189 6.7 67
  230 5.1 51
  231 20 200
//
