ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011819
RECORD_TITLE: (E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 2,4-HEXADIENOATE; 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$NAME: (E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 2,4-HEXADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀O₂
CH$EXACT_MASS: 326.22458
CH$SMILES: [H]C(C)=C([H])C([H])=C([H])C(=O)OC([H])(C1)C([H])(C)CCC([H])1C(C)(C)c(c2)cccc2
CH$IUPAC: InChI=1S/C22H30O2/c1-5-6-8-13-21(23)24-20-16-19(15-14-17(20)2)22(3,4)18-11-9-7-10-12-18/h5-13,17,19-20H,14-16H2,1-4H3/b6-5+,13-8+/t17-,19+,20+/m0/s1
CH$LINK: INCHIKEY GYOXDXZDDLIJON-HUQUJUPYSA-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$SPLASH: splash10-08ir-0092000000-0b829b24588cfb5ac82d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  143 3.8 38
  157 1.3 13
  185 3.4 34
  199 13.5 135
  200 1.7 17
  207 50.9 509
  208 7.5 75
  214 99.99 999
  215 18.5 185
  217 2.9 29
  229 4.5 45
  230 51.9 519
  231 16.8 168
  232 1.9 19
  314 2 20
  326 60.1 601
  327 13.9 139
//