MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011819
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
//