MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009859
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009859
RECORD_TITLE: (E)-BETA-FARNESENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: (E)-BETA-FARNESENE
CH$NAME: 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: INCHIKEY
JSNRRGGBADWTMC-NTCAYCPXSA-N
CH$LINK: COMPTOX
DTXSID9047049
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9100000000-f65ac7d94ccd703ca91d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
27 4.6 46
28 1.5 15
29 4.8 48
39 0.74 7
40 1.5 15
41 49.6 496
42 2.1 21
43 0.61 6
51 1.3 13
53 7.9 79
55 18 180
56 0.15 2
57 4.2 42
65 3.2 32
67 16.8 168
68 0.55 6
69 99.99 999
70 6.3 63
71 3.2 32
77 0.74 7
78 1.2 12
79 18 180
80 3.3 33
81 2.2 22
82 7.7 77
83 1.4 14
91 10.2 102
92 0.64 6
93 55.3 553
94 8.4 84
95 6.3 63
105 0.56 6
106 2.2 22
107 8.5 85
108 1.5 15
109 0.79 8
110 1 10
111 2.1 21
119 7.4 74
120 1.58 16
121 6.8 68
122 1.5 15
123 1.5 15
133 2.36 24
134 4.9 49
135 4.4 44
136 1.4 14
137 0.12 1
147 2.8 28
148 3.2 32
161 11.9 119
162 0.23 2
189 2 20
204 8.7 87
205 1.4 14
//