MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007578
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007578
RECORD_TITLE: BETA-FARNESENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-FARNESENE
CH$NAME: (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(=C)CCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
CH$LINK: CAS
18794-84-8
CH$LINK: INCHIKEY
JSNRRGGBADWTMC-NTCAYCPXSA-N
CH$LINK: COMPTOX
DTXSID9047049
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00kf-9100000000-0de28d2b36d20fb36076
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 14.37 144
29 13.31 133
39 18.63 186
41 90.43 904
53 24.48 245
55 32.99 330
67 26.6 266
69 99.99 999
79 36.71 367
81 28.73 287
93 78.19 782
94 20.22 202
105 9.58 96
107 13.84 138
119 11.18 112
120 13.31 133
133 19.16 192
134 4.26 43
147 1.07 11
148 1.07 11
161 7.99 80
162 1.07 11
189 1.07 11
204 5.33 53
205 1.07 11
//