MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002823
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002823
RECORD_TITLE: GAMMA-CADINENE; 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$NAME: GAMMA-CADINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C(C1)C([H])(C=2)C([H])(CCC(C)2)C(=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
CH$LINK: INCHIKEY
WRHGORWNJGOVQY-KKUMJFAQSA-N
CH$LINK: COMPTOX
DTXSID80197482
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: splash10-03dl-7900000000-5735da8a4436cae8d6c5
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
26 0.5 5
27 7 70
29 5.5 55
39 0.82 8
40 1.1 11
41 26 260
42 1.3 13
43 0.81 8
50 0.5 5
51 2.3 23
52 1.3 13
53 0.08 1
54 0.8 8
55 13.3 133
56 1.1 11
57 0.13 1
63 0.8 8
64 0.5 5
65 5.3 53
66 0.01 0
67 10.6 106
68 1.5 15
69 10.5 105
70 0.01 0
75 0.5 5
77 15.3 153
78 4.3 43
79 0.22 2
80 3.8 38
81 21 210
82 2 20
83 0.01 0
89 0.8 8
90 0.5 5
91 28 280
92 1.63 16
93 28.5 285
94 8.5 85
95 5.8 58
96 0.06 1
102 0.5 5
103 2.1 21
104 2 20
105 3.51 35
106 7.2 72
107 10 100
108 2.1 21
109 0.16 2
110 0.5 5
115 3 30
116 1.5 15
117 0.47 5
118 2 20
119 26 260
120 11.1 111
121 0.77 8
122 2 20
123 0.8 8
127 1.1 11
128 0.18 2
129 1.7 17
130 0.8 8
131 2.8 28
132 0.12 1
133 17.1 171
134 10.5 105
135 9.2 92
136 0.38 4
141 0.5 5
143 0.5 5
145 2 20
146 0.01 0
147 4 40
148 5.8 58
149 1.5 15
150 0.21 2
159 1.1 11
160 3 30
161 99.99 999
162 0.15 2
163 1.3 13
175 1 10
176 2.2 22
189 0.43 4
190 0.6 6
204 21.3 213
205 3.8 38
//