ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006634
RECORD_TITLE: 3,3,5-TRIMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE-1-SPIRO-4'-(1'-METHYL)PIPERIDINE(2-D); 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$NAME: 3,3,5-TRIMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE-1-SPIRO-4'-(1'-METHYL)PIPERIDINE(2-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₇N₃
CH$EXACT_MASS: 297.22050
CH$SMILES: CN(C4)CCC(C4)(N([2H])3)c(c21)c(CC(C)(C)3)n(C)c(cccc2)1
CH$IUPAC: InChI=1S/C19H27N3/c1-18(2)13-16-17(14-7-5-6-8-15(14)22(16)4)19(20-18)9-11-21(3)12-10-19/h5-8,20H,9-13H2,1-4H3/i/hD
CH$LINK: INCHIKEY AZWJISVTQFEJDN-DYCDLGHISA-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$SPLASH: splash10-000m-0190000000-6f10402cb53500348b90
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  58 6 60
  70 9.1 91
  167 5.8 58
  168 1.19 12
  169 15.8 158
  170 7.1 71
  182 6.4 64
  183 0.52 5
  196 8.4 84
  197 10.4 104
  211 14.8 148
  212 1.12 11
  213 5.4 54
  225 9.9 99
  226 24.8 248
  227 1.46 15
  238 6.6 66
  239 99.99 999
  240 80.5 805
  241 1.63 16
  254 8 80
  255 6.7 67
  268 5.8 58
  269 0.5 5
  296 3.8 38
  297 33.6 336
  298 25.5 255
  299 4.9 49
//