ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006652
RECORD_TITLE: 5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-2-PROPYL-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$NAME: 5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-2-PROPYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₇N₃
CH$EXACT_MASS: 333.22050
CH$SMILES: CCCC1CC2=C(CN1)C3=C(C=CC=C3N2)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C22H27N3/c1-3-5-18-12-21-19(14-24-18)22-17(6-4-7-20(22)25-21)11-10-16-9-8-15(2)23-13-16/h4,6-9,13,18,24-25H,3,5,10-12,14H2,1-2H3
CH$LINK: INCHIKEY FSBHSYJCHDQPIT-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$SPLASH: splash10-06sl-0946000000-38f6c4588b398d4a6009
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42 6.5 65
  77 6.1 61
  120 26.3 263
  121 0.37 4
  128 12.1 121
  129 8.5 85
  143 91.9 919
  144 1.53 15
  154 6.6 66
  155 5.5 55
  156 85.5 855
  157 1.44 14
  213 2.7 27
  225 4.7 47
  227 13.5 135
  247 0.27 3
  262 56.5 565
  263 29 290
  304 25.2 252
  305 0.71 7
  332 54.8 548
  333 99.99 999
//