ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004388
RECORD_TITLE: 3-METHYL-8-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$NAME: 3-METHYL-8-NITRO-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$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/c1-7-4-12-10(6-13-7)9-5-8(15(16)17)2-3-11(9)14-12/h2-3,5,7,13-14H,4,6H2,1H3
CH$LINK: INCHIKEY BTGLFBXJWGWNTP-UHFFFAOYSA-N
AC$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: splash10-001i-1920000000-99da1ec370ddee555d81
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  42 6.3 63
  43 6.5 65
  44 3.3 33
  77 0.41 4
  89 4.9 49
  91 2.2 22
  92 1.3 13
  102 0.24 2
  103 4.1 41
  115 8.4 84
  116 5.5 55
  117 0.25 3
  129 2.7 27
  130 5.1 51
  140 5.1 51
  141 0.45 5
  142 12.8 128
  143 4.9 49
  157 7.7 77
  183 1.16 12
  184 99.99 999
  185 8.2 82
  188 30.6 306
  214 8.97 90
  215 7.9 79
  230 16.3 163
  231 13.3 133
//
