ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006648
RECORD_TITLE: 8-METHOXY-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$NAME: 8-METHOXY-2-METHYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₅N₃O
CH$EXACT_MASS: 335.19976
CH$SMILES: CC1CC2=C(CN1)C3=C(C=CC(=C3N2)OC)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C21H25N3O/c1-13-4-5-15(11-22-13)6-7-16-8-9-19(25-3)21-20(16)17-12-23-14(2)10-18(17)24-21/h4-5,8-9,11,14,23-24H,6-7,10,12H2,1-3H3
CH$LINK: INCHIKEY AUBCQHPNQKVRHJ-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$SPLASH: splash10-000i-0924000000-f8b7412b049c268067e2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43 2.1 21
  57 4.2 42
  77 8.1 81
  105 0.12 1
  106 4.3 43
  115 8 80
  119 2 20
  120 0.8 8
  128 5 50
  130 1 10
  143 5.8 58
  158 0.29 3
  171 9.5 95
  172 1 10
  173 61.5 615
  174 0.62 6
  185 1.2 12
  186 99.99 999
  187 7 70
  214 0.21 2
  215 1.5 15
  229 24.5 245
  249 2 20
  277 0.16 2
  292 35.5 355
  334 36.1 361
  335 75.8 758
//