ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006638
RECORD_TITLE: 2,8-DIMETHYL-5-(2-(4-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$NAME: 2,8-DIMETHYL-5-(2-(4-PYRIDYL)ETHYL)-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₃N₃
CH$EXACT_MASS: 305.18920
CH$SMILES: CC1CC2=C(CN1)C3=C(C=CC(=C3N2)C)CCC4=CC=NC=C4
CH$IUPAC: InChI=1S/C20H23N3/c1-13-3-5-16(6-4-15-7-9-21-10-8-15)19-17-12-22-14(2)11-18(17)23-20(13)19/h3,5,7-10,14,22-23H,4,6,11-12H2,1-2H3
CH$LINK: INCHIKEY NEGUYOMMCADVEE-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$SPLASH: splash10-08mi-0984000000-5d4e8a251b9a347cd3c0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  77 2.2 22
  91 1.2 12
  106 1.2 12
  115 0.37 4
  116 1.4 14
  127 2.4 24
  128 5.2 52
  129 0.17 2
  154 6.4 64
  155 4.3 43
  156 4.3 43
  157 5.82 58
  158 6 60
  169 3.6 36
  170 89.5 895
  171 0.7 7
  182 2 20
  183 1.4 14
  195 1.9 19
  197 0.37 4
  211 4.6 46
  212 2.7 27
  213 4.6 46
  247 0.1 1
  261 2.3 23
  262 99.99 999
  263 15 150
  304 4.65 47
  305 64 640
//