ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011824
RECORD_TITLE: (E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 5-PHENYL-2,4-PENTADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 5-PHENYL-2,4-PENTADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₃₂O₂
CH$EXACT_MASS: 388.24023
CH$SMILES: [H]C(C2)(CC(OC(=O)C([H])=C([H])C([H])=C([H])c(c3)cccc3)(C(C2)([H])C)[H])C(c(c1)cccc1)(C)C
CH$IUPAC: InChI=1S/C27H32O2/c1-21-18-19-24(27(2,3)23-15-8-5-9-16-23)20-25(21)29-26(28)17-11-10-14-22-12-6-4-7-13-22/h4-17,21,24-25H,18-20H2,1-3H3/b14-10+,17-11+/t21-,24+,25+/m0/s1
CH$LINK: INCHIKEY ZZWVPAWDVOGMCG-NYXDWXMYSA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-00kr-0097000000-dce4af1a93bb447910d2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  199 14.5 145
  200 1.9 19
  214 49.3 493
  215 11.3 113
  216 1 10
  230 8.3 83
  232 1.4 14
  236 4.8 48
  269 61 610
  270 28.8 288
  271 5.6 56
  279 3.3 33
  292 13.9 139
  294 1.9 19
  317 6.5 65
  367 6.3 63
  379 2.4 24
  388 99.99 999
  389 29.8 298
  390 4.9 49
//