ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002608
RECORD_TITLE: ALPHA-(4-DIMETHYLAMINOPHENYL)-OMEGA-(9-PHENANTHRYL)HEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-(4-DIMETHYLAMINOPHENYL)-OMEGA-(9-PHENANTHRYL)HEXANE
CH$NAME: 1-(4-DIMETHYLAMINOPHENYL)-6-(9-PHENANTHRYL)HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₁N
CH$EXACT_MASS: 381.24565
CH$SMILES: C(CCc(c43)cc(c2c(cccc4)3)cccc2)CCCc(c1)ccc(N(C)C)c1
CH$IUPAC: InChI=1S/C28H31N/c1-29(2)25-19-17-22(18-20-25)11-5-3-4-6-12-23-21-24-13-7-8-14-26(24)28-16-10-9-15-27(23)28/h7-10,13-21H,3-6,11-12H2,1-2H3
CH$LINK: INCHIKEY DLONDNXNWHFDSQ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-0906000000-855f41198ead10e0e2c2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  118 0.36 4
  120 0.88 9
  133 0.62 6
  134 99.99 999
  135 10 100
  136 0.6 6
  146 0.41 4
  147 1.57 16
  148 1.74 17
  149 0.31 3
  160 1.15 12
  161 0.44 4
  162 0.36 4
  191 2.32 23
  192 0.65 7
  203 0.3 3
  204 0.37 4
  367 0.53 5
  379 1.05 11
  380 1.86 19
  381 60.15 602
  382 18.23 182
  383 3.08 31
  384 0.4 4
//