ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006647
RECORD_TITLE: 2,8-DIMETHYL-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$NAME: 2,8-DIMETHYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H25N3
CH$EXACT_MASS: 319.20485
CH$SMILES: CC1CC2=C(CN1)C3=C(C=CC(=C3N2)C)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C21H25N3/c1-13-4-8-17(9-7-16-6-5-14(2)22-11-16)20-18-12-23-15(3)10-19(18)24-21(13)20/h4-6,8,11,15,23-24H,7,9-10,12H2,1-3H3
CH$LINK: INCHIKEY TUFPZHSAIVBOFW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15096471
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$SPLASH: splash10-06di-0935000000-45f74ede9768bdae33ca
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  42 1.3 13
  43 6.2 62
  44 1 10
  77 0.12 1
  105 1.4 14
  106 1 10
  115 1 10
  120 0.5 5
  157 72.6 726
  158 8.7 87
  170 99.99 999
  171 1.34 13
  213 16 160
  261 5.1 51
  276 42.9 429
  277 0.81 8
  318 35 350
  319 69 690
//
