ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006649
RECORD_TITLE: 2-(2-AMINO-2-METHYLPROPYL)-1-METHYL-3-(2,6,6-TRIMETHYL-1,2,3,6-TETRAHYDRO-4-PYRIDYL)INDOLE; 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$NAME: 2-(2-AMINO-2-METHYLPROPYL)-1-METHYL-3-(2,6,6-TRIMETHYL-1,2,3,6-TETRAHYDRO-4-PYRIDYL)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H31N3
CH$EXACT_MASS: 325.25180
CH$SMILES: CC(N3)CC(=CC(C)(C)3)c(c21)c(CC(C)(C)N)n(C)c(cccc2)1
CH$IUPAC: InChI=1S/C21H31N3/c1-14-11-15(12-21(4,5)23-14)19-16-9-7-8-10-17(16)24(6)18(19)13-20(2,3)22/h7-10,12,14,23H,11,13,22H2,1-6H3
CH$LINK: INCHIKEY KSWIBPTXLBGRNE-UHFFFAOYSA-N
AC$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: splash10-0a4i-6190000000-ac9e9742e0f2ade80761
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  58 99.99 999
  115 1.1 11
  128 1 10
  130 0.24 2
  195 7.8 78
  196 10.5 105
  210 21.5 215
  211 3.56 36
  212 7 70
  225 23.7 237
  226 5.7 57
  237 1.5 15
  252 3.1 31
  253 25.1 251
  254 5.8 58
  267 0.73 7
  268 33.3 333
  269 6.9 69
  325 4.3 43
//
