MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002825
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002825
RECORD_TITLE: ALPHA-CEDRENE; 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$NAME: ALPHA-CEDRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C3)C(C1)C(C)(C)C(C2)C(C3)(C(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3
CH$LINK: INCHIKEY
IRAQOCYXUMOFCW-UHFFFAOYSA-N
AC$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$SPLASH: splash10-014l-9700000000-d2cf39389a4a1797b084
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
27 6 60
29 6.1 61
39 7.5 75
40 0.12 1
41 28 280
42 2.2 22
43 5.8 58
51 0.21 2
52 1 10
53 7.6 76
54 1 10
55 1.51 15
56 12 120
57 5 50
63 0.8 8
64 0.05 1
65 4.6 46
66 1.2 12
67 6.6 66
68 0.25 3
69 23.5 235
70 5.2 52
71 1.3 13
75 0.05 1
77 14.7 147
78 3.2 32
79 10.2 102
80 0.03 0
81 8.3 83
82 3.5 35
83 2 20
84 0.13 1
89 1 10
90 0.6 6
91 19.8 198
92 0.15 2
93 50.5 505
94 7.8 78
95 4.6 46
96 0.12 1
97 1.5 15
103 1.8 18
104 1 10
105 3.05 31
106 4.7 47
107 6.5 65
108 4.5 45
109 0.06 1
110 1 10
112 0.5 5
115 2.5 25
116 0.11 1
117 2.7 27
118 2.5 25
119 99.99 999
120 1.57 16
121 15 150
122 4 40
123 2.6 26
124 0.01 0
128 1 10
129 1 10
130 0.5 5
131 0.15 2
132 0.6 6
133 5.8 58
134 3.7 37
135 0.28 3
136 7.5 75
137 0.8 8
145 0.8 8
146 0.11 1
147 9 90
148 4.3 43
149 1.1 11
160 0.06 1
161 20 200
162 3.7 37
163 0.5 5
175 0.08 1
189 3.2 32
190 0.5 5
204 18.7 187
205 3.3 33
//