ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005057
RECORD_TITLE: 2-ISOBUTYL-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$NAME: 2-ISOBUTYL-8-METHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22N2
CH$EXACT_MASS: 242.17830
CH$SMILES: CC1=CC2=C(C=C1)NC3=C2CN(CC3)CC(C)C
CH$IUPAC: InChI=1S/C16H22N2/c1-11(2)9-18-7-6-16-14(10-18)13-8-12(3)4-5-15(13)17-16/h4-5,8,11,17H,6-7,9-10H2,1-3H3
CH$LINK: INCHIKEY OJFPSTNSHCSEQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70344024
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$SPLASH: splash10-0a4i-0920000000-0e22f4c7cf57b22ab6e1
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  42 9.2 92
  43 1.1 11
  56 3.2 32
  57 0.11 1
  77 1 10
  115 2.1 21
  128 1.3 13
  154 0.2 2
  155 2.2 22
  156 14 140
  157 99.99 999
  158 1.75 18
  170 6.3 63
  198 1.6 16
  199 38 380
  200 0.35 4
  241 11 110
  242 31 310
//
