ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005056
RECORD_TITLE: 2-SEC-BUTYL-8-METHYL-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$NAME: 2-SEC-BUTYL-8-METHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22N2
CH$EXACT_MASS: 242.17830
CH$SMILES: CCC(C)N1CCC2=C(C1)C3=C(N2)C=CC(=C3)C
CH$IUPAC: InChI=1S/C16H22N2/c1-4-12(3)18-8-7-16-14(10-18)13-9-11(2)5-6-15(13)17-16/h5-6,9,12,17H,4,7-8,10H2,1-3H3
CH$LINK: INCHIKEY OZALJKGFQHTUGN-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
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: splash10-0a4i-0910000000-e3c45893904a769c5093
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  42 3.2 32
  43 1.2 12
  44 1.1 11
  56 2.01 20
  57 1.6 16
  77 1.2 12
  115 2.6 26
  128 0.14 1
  154 1.7 17
  155 1.3 13
  156 12.8 128
  157 99.99 999
  158 15 150
  170 1.6 16
  185 2.1 21
  213 1.51 15
  227 1.3 13
  241 2.8 28
  242 10 100
//
