ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002609
RECORD_TITLE: ALPHA-(4-DIMETHYLAMINOPHENYL)-OMEGA-(9-PHENANTHRYL)HEPTANE; 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$NAME: ALPHA-(4-DIMETHYLAMINOPHENYL)-OMEGA-(9-PHENANTHRYL)HEPTANE
CH$NAME: 1-(4-DIMETHYLAMINOPHENYL)-7-(9-PHENANTHRYL)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₃₃N
CH$EXACT_MASS: 395.26130
CH$SMILES: c(c43)(cc(c2c(cccc4)3)cccc2)CCCCCCCc(c1)ccc(N(C)C)c1
CH$IUPAC: InChI=1S/C29H33N/c1-30(2)26-20-18-23(19-21-26)12-6-4-3-5-7-13-24-22-25-14-8-9-15-27(25)29-17-11-10-16-28(24)29/h8-11,14-22H,3-7,12-13H2,1-2H3
CH$LINK: INCHIKEY QPRAFQJUFNWEOQ-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$SPLASH: splash10-001j-0906000000-f4d4c09e6270d4209721
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  118 0.39 4
  120 1.58 16
  133 0.6 6
  134 99.99 999
  135 10.48 105
  136 0.64 6
  146 0.3 3
  147 1.41 14
  148 1.12 11
  160 0.69 7
  161 0.59 6
  191 2.23 22
  192 0.63 6
  198 0.96 10
  203 0.4 4
  204 0.43 4
  381 0.72 7
  382 0.26 3
  393 0.51 5
  394 1.81 18
  395 61.71 617
  396 20.37 204
  397 3.37 34
  398 0.42 4
//