MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002833
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002833
RECORD_TITLE: ALPHA-FARNESENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-FARNESENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(C)=C([H])CC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10-,15-12-
CH$LINK: INCHIKEY
CXENHBSYCFFKJS-LOQWIJHWSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9300000000-8fdf2987e029ece80c10
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
26 0.8 8
27 13.8 138
28 1.5 15
29 1.73 17
32 0.6 6
39 18.6 186
40 3.5 35
41 9.27 93
42 4.1 41
43 28.8 288
50 0.8 8
51 0.42 4
52 2 20
53 17.2 172
54 1.8 18
55 6.86 69
56 6 60
57 4.5 45
63 1 10
64 0.08 1
65 7 70
66 2.7 27
67 13.2 132
68 0.28 3
69 75.5 755
70 5.3 53
71 0.5 5
75 0.11 1
76 0.5 5
77 22.1 221
78 5 50
79 4.46 45
80 29.2 292
81 29 290
82 3.7 37
83 0.17 2
84 0.6 6
89 1.3 13
90 0.6 6
91 2.53 25
92 8.2 82
93 99.99 999
94 12.5 125
95 0.56 6
96 0.8 8
97 0.6 6
103 1.8 18
104 0.01 0
105 19.2 192
106 5 50
107 43.1 431
108 0.63 6
109 6.3 63
110 1 10
111 0.5 5
115 0.13 1
116 0.6 6
117 1.8 18
118 1 10
119 3.93 39
120 9 90
121 9.1 91
122 3.7 37
123 3.43 34
124 4.6 46
128 0.5 5
129 0.5 5
131 0.08 1
133 6 60
134 3.7 37
135 11.8 118
136 0.31 3
145 0.5 5
147 2.5 25
148 1.6 16
149 0.01 0
159 0.6 6
161 5.8 58
162 1 10
175 0.06 1
189 2 20
204 3.5 35
205 0.5 5
//