MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010675
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010675
RECORD_TITLE: BETA-SELINENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-SELINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C([H])(C1)CC([H])(C(=C)2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY
YOVSPTNQHMDJAG-QLFBSQMISA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-052f-9700000000-0433b7021e9426df6c0a
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 9.5 95
43 23.5 235
44 0.55 6
51 11.5 115
52 7.5 75
53 40.5 405
54 0.8 8
55 59 590
56 8 80
57 10 100
63 0.55 6
64 4 40
65 21 210
66 9.5 95
67 4.8 48
68 19 190
69 27.5 275
70 5.5 55
77 3.95 40
78 12 120
79 52.5 525
80 21 210
81 6.4 64
82 20 200
83 9.5 95
91 61 610
92 1.65 17
93 76 760
94 24 240
95 38 380
96 0.8 8
97 8.5 85
103 7.5 75
104 5.5 55
105 6.45 65
106 19 190
107 65 650
108 31 310
109 2.8 28
110 7 70
115 8.5 85
116 5.5 55
117 1.1 11
118 7 70
119 36 360
120 16 160
121 4.1 41
122 22 220
123 18 180
124 6 60
128 0.6 6
129 6 60
130 4.5 45
131 9.5 95
132 0.6 6
133 43 430
134 17 170
135 18 180
145 0.85 9
146 8 80
147 30 300
148 16 160
149 1.2 12
150 6 60
161 41 410
162 17 170
163 0.7 7
175 18.5 185
176 8 80
189 46 460
190 0.9 9
204 48 480
205 9.5 95
//