ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006659
RECORD_TITLE: 8-METHOXY-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$NAME: 8-METHOXY-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-2-PROPYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₉N₃O
CH$EXACT_MASS: 363.23106
CH$SMILES: CCCC1CC2=C(CN1)C3=C(C=CC(=C3N2)OC)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C23H29N3O/c1-4-5-18-12-20-19(14-25-18)22-17(10-11-21(27-3)23(22)26-20)9-8-16-7-6-15(2)24-13-16/h6-7,10-11,13,18,25-26H,4-5,8-9,12,14H2,1-3H3
CH$LINK: INCHIKEY MFCNPWMGDYTWNU-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$SPLASH: splash10-03dr-1926000000-f3cb49c2f9048b206034
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  42 6.7 67
  43 10 100
  69 7.3 73
  83 0.47 5
  105 3.1 31
  107 5.6 56
  114 5.3 53
  115 0.37 4
  120 11.8 118
  128 2.4 24
  143 9 90
  154 0.51 5
  155 4.6 46
  158 5 50
  171 6.5 65
  173 5.24 52
  174 8.9 89
  186 99.99 999
  187 14.6 146
  211 1.03 10
  249 2 20
  257 11.3 113
  277 5.3 53
  292 5.52 55
  293 20.3 203
  294 4.2 42
  305 2 20
  320 1.42 14
  334 11.7 117
  335 3.8 38
  362 47.2 472
  363 72.6 726
//