ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006661
RECORD_TITLE: 2-CYCLOHEXYL-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$NAME: 2-CYCLOHEXYL-5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H31N3
CH$EXACT_MASS: 373.25180
CH$SMILES: CC1=NC=C(C=C1)CCC2=C3C4=C(CC(NC4)C5CCCCC5)NC3=CC=C2
CH$IUPAC: InChI=1S/C25H31N3/c1-17-10-11-18(15-26-17)12-13-20-8-5-9-22-25(20)21-16-27-23(14-24(21)28-22)19-6-3-2-4-7-19/h5,8-11,15,19,23,27-28H,2-4,6-7,12-14,16H2,1H3
CH$LINK: INCHIKEY YITAPQGFZHBSBY-UHFFFAOYSA-N
AC$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: splash10-074l-2943000000-546dbf2037ca95721e2e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  42 12 120
  43 5.8 58
  47 8.4 84
  55 1.63 16
  77 6 60
  83 33.1 331
  84 4.5 45
  85 2.21 22
  115 4.7 47
  119 6.9 69
  120 29.7 297
  121 0.5 5
  128 12.9 129
  129 10.2 102
  143 90.3 903
  144 1.66 17
  154 6.8 68
  155 6.8 68
  156 87.1 871
  157 1.56 16
  158 5 50
  168 5.6 56
  169 5.2 52
  181 0.58 6
  183 7.7 77
  247 12.6 126
  262 88.7 887
  263 3.61 36
  264 5.4 54
  265 6.8 68
  267 8.7 87
  290 6.13 61
  291 15.5 155
  316 3.2 32
  330 6.8 68
  372 6.29 63
  373 99.99 999
//
