ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003193
RECORD_TITLE: 5,5'-DIVALERYL-2,2'-SPIROBIINDAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5,5'-DIVALERYL-2,2'-SPIROBIINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₃₂O₂
CH$EXACT_MASS: 388.24023
CH$SMILES: c(c41)cc(cc(CC(C4)(C2)Cc(c3)c(ccc3C(=O)CCCC)2)1)C(=O)CCCC
CH$IUPAC: InChI=1S/C27H32O2/c1-3-5-7-25(28)19-9-11-21-15-27(17-23(21)13-19)16-22-12-10-20(14-24(22)18-27)26(29)8-6-4-2/h9-14H,3-8,15-18H2,1-2H3
CH$LINK: INCHIKEY MWGQFSREBUQPGD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101618293

AC$INSTRUMENT: HITACHI RMU-7
AC$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$SPLASH: splash10-001i-3219000000-da23e35199d6eece4a40
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 8.3 83
  43 11 110
  55 11.3 113
  57 16.9 169
  69 7.7 77
  71 7.8 78
  77 4.6 46
  81 4.8 48
  83 7.2 72
  85 5.1 51
  95 5.2 52
  97 6.2 62
  103 13.1 131
  109 4.5 45
  123 5.5 55
  131 5.4 54
  137 18.9 189
  141 4.9 49
  144.5 7.6 76
  149 4.8 48
  152 7.1 71
  246 18.6 186
  247 4.3 43
  289 21.4 214
  290 4.5 45
  304 39.4 394
  305 8.8 88
  331 99.99 999
  332 26.1 261
  333 3.7 37
  346 25.1 251
  347 6.3 63
  388 16.6 166
  389 4.8 48
//