ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012103
RECORD_TITLE: HEXAPHENYLETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXAPHENYLETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₈H₃₀
CH$EXACT_MASS: 486.23475
CH$SMILES: C(C(c(c6)cccc6)(c(c5)cccc5)c(c4)cccc4)(c(c3)cccc3)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C38H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
CH$LINK: INCHIKEY IPOBVSHPVYWJQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:519482

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05ox-5970000000-9c7102ed7e93fa9f34f6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 9.6 96
  50 6.4 64
  51 27.5 275
  63 4.4 44
  65 7.2 72
  76 4.5 45
  77 81.1 811
  78 8.2 82
  91 3.2 32
  94 4.5 45
  105 66 660
  106 5.7 57
  115 5.9 59
  139 5 50
  152 8.3 83
  153 8 80
  154 3.4 34
  163 4 40
  164 5.4 54
  165 73.2 732
  166 28.5 285
  167 11.2 112
  181 5.5 55
  182 5.9 59
  215 7.2 72
  216 6.3 63
  228 3.8 38
  241 5.2 52
  242 3.7 37
  243 99.99 999
  244 24.7 247
  259 30.4 304
  260 7.3 73
//