ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006636
RECORD_TITLE: 8-BROMO-2-METHYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-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$NAME: 8-BROMO-2-METHYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂BrN₃
CH$EXACT_MASS: 383.09971
CH$SMILES: CC1CC2=C(CN1)C3=C(C=CC(=C3N2)Br)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C20H22BrN3/c1-12-3-4-14(10-22-12)5-6-15-7-8-17(21)20-19(15)16-11-23-13(2)9-18(16)24-20/h3-4,7-8,10,13,23-24H,5-6,9,11H2,1-2H3
CH$LINK: INCHIKEY HAQZKCBPEQMRSH-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$SPLASH: splash10-008i-0094000000-0f8baa66008546c0d571
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  43 3.1 31
  57 2.1 21
  91 2.1 21
  105 0.31 3
  106 2.7 27
  115 4.2 42
  119 4 40
  120 1 10
  155 15 150
  156 1 10
  221 88.3 883
  222 0.58 6
  223 86.1 861
  224 5.4 54
  234 99.99 999
  235 0.77 8
  236 95.6 956
  237 6.7 67
  261 5.7 57
  263 0.2 2
  265 1 10
  277 8.8 88
  279 7.9 79
  340 2.52 25
  341 5.7 57
  342 24.2 242
  343 5.4 54
  382 3.4 34
  383 64.1 641
  384 41.1 411
  385 62.2 622
//