MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002838
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002838
RECORD_TITLE: ALPHA-HIMACHALENE; 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$NAME: ALPHA-HIMACHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=C([H])C([H])(C(C)(C)1)C([H])(C2)C(=C)CCC1
CH$IUPAC: InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1
CH$LINK: INCHIKEY
ZJSIKVDEOWWVEH-KBPBESRZSA-N
CH$LINK: COMPTOX
DTXSID30191859
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-9700000000-ca4fe26e325cdce60d2b
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
26 0.8 8
27 14.3 143
29 15.1 151
38 0.05 1
39 20.7 207
40 3.6 36
41 61 610
42 0.35 4
43 16.3 163
44 0.5 5
50 1.1 11
51 0.06 1
52 3 30
53 19.1 191
54 2.3 23
55 3.67 37
56 6 60
57 4.1 41
58 0.5 5
63 0.02 0
64 1.5 15
65 12.3 123
66 4 40
67 3.07 31
68 6.3 63
69 49.1 491
70 4.1 41
71 0.01 0
75 1.3 13
76 0.6 6
77 34.7 347
78 0.95 10
79 56 560
80 15.5 155
81 27.1 271
82 1.03 10
83 5 50
84 0.8 8
89 1.6 16
90 0.11 1
91 53 530
92 32.3 323
93 99.99 999
94 0.76 8
95 25.1 251
96 5 50
97 2.7 27
102 0.08 1
103 4.8 48
104 3 30
105 53 530
106 0.18 2
107 40.5 405
108 17.5 175
109 39.1 391
110 0.42 4
111 2.2 22
112 0.5 5
115 6 60
116 0.26 3
117 8.7 87
118 3.1 31
119 68 680
120 2.15 22
121 42 420
122 11.5 115
123 3 30
127 0.01 0
128 2.6 26
129 2.3 23
130 1.1 11
131 0.45 5
132 2 20
133 30.7 307
134 38.1 381
135 3.03 30
136 10.3 103
137 1.1 11
141 0.6 6
143 0.08 1
145 2.7 27
146 1 10
147 16.7 167
148 1.15 12
149 3.2 32
150 0.5 5
159 1.1 11
160 0.01 0
161 41 410
162 8.3 83
163 1.6 16
175 0.75 8
176 4.3 43
189 42.5 425
190 7.1 71
204 5.05 51
205 9.1 91
206 0.6 6
//