MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011835
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011835
RECORD_TITLE: (E.E)-(1'R,2'S,5'R)-8'-BETA-NAPHTHYLMENTHYL-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$NAME: (E.E)-(1'R,2'S,5'R)-8'-BETA-NAPHTHYLMENTHYL-5-PHENYL-2,4-PENTADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H34O2
CH$EXACT_MASS: 438.25588
CH$SMILES: c(c4)ccc(c4)C([H])=C([H])C(=C(C(=O)OC(C1([H])C)(CC(C(c(c3)ccc(c32)cccc2)(C)C)([H])CC1)[H])[H])[H]
CH$IUPAC: InChI=1S/C31H34O2/c1-23-17-19-28(31(2,3)27-20-18-25-14-8-9-15-26(25)21-27)22-29(23)33-30(32)16-10-7-13-24-11-5-4-6-12-24/h4-16,18,20-21,23,28-29H,17,19,22H2,1-3H3/b13-7+,16-10+/t23-,28+,29+/m0/s1
CH$LINK: INCHIKEY
FIESORXJLGGJDF-ATBGVQLCSA-N
AC$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: splash10-014i-1900000000-8bf8e6c840869f092c82
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
17 3.5 35
18 11.8 118
28 2.4 24
41 4.7 47
44 1.2 12
55 1.2 12
77 1.2 12
81 1.2 12
95 2.4 24
115 1.2 12
127 2.4 24
128 8.2 82
129 10.6 106
130 1.2 12
141 12.9 129
142 1.2 12
152 1.2 12
153 2.4 24
154 2.4 24
155 3.5 35
157 10.6 106
158 1.2 12
165 1.2 12
167 1.2 12
168 20 200
169 99.99 999
170 16.5 165
171 1.2 12
174 1.9 19
175 1.2 12
249 1.9 19
264 5.2 52
265 1.4 14
269 6.1 61
270 1.6 16
438 10.8 108
439 3.7 37
//