MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002841
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002841
RECORD_TITLE: LONGIFOLENE; 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$NAME: LONGIFOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)(C2)C(C31)C(CC3)C(C)(CC2)C(=C)1
CH$IUPAC: InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13-,15+/m0/s1
CH$LINK: INCHIKEY
PDSNLYSELAIEBU-NSOJWWLLSA-N
AC$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$SPLASH: splash10-0006-7900000000-388ca4f0c8d2d651be61
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
26 1 10
27 11.2 112
29 12 120
32 0.13 1
39 16.6 166
40 2.8 28
41 50.2 502
42 0.32 3
43 12.2 122
50 1 10
51 4.6 46
52 0.27 3
53 16.3 163
54 2.2 22
55 38.2 382
56 0.37 4
57 4.6 46
58 0.5 5
59 0.6 6
63 0.02 0
64 1.5 15
65 12.2 122
66 5 50
67 0.27 3
68 3.5 35
69 22.6 226
70 2.1 21
71 0.02 0
72 1.1 11
73 0.8 8
74 0.5 5
75 0.08 1
76 0.5 5
77 25.2 252
78 8 80
79 4.35 44
80 11.2 112
81 28 280
82 16.6 166
83 1.02 10
84 0.8 8
85 0.5 5
87 0.6 6
88 0.05 1
89 1.3 13
90 0.8 8
91 60 600
92 2.13 21
93 60 600
94 76.5 765
95 56.5 565
96 0.96 10
97 2.8 28
102 0.8 8
103 4.1 41
104 0.03 0
105 56.5 565
106 26 260
107 60 600
108 3.92 39
109 44.5 445
110 8 80
111 5 50
112 0.05 1
115 5.2 52
116 2.2 22
117 8.2 82
118 0.27 3
119 43.3 433
120 25.5 255
121 36.6 366
122 2.06 21
123 1 10
124 1 10
127 1 10
128 0.02 0
129 2.2 22
130 2.1 21
131 5 50
132 0.16 2
133 42 420
134 22.6 226
135 44 440
136 1.52 15
137 10.6 106
138 2.2 22
139 0.5 5
141 0.08 1
143 0.5 5
144 0.5 5
145 3.7 37
146 0.15 2
147 29 290
148 15.2 152
149 7.2 72
150 0.03 0
159 1 10
160 1.5 15
161 99.99 999
162 0.19 2
163 11.6 116
164 1.2 12
175 18.6 186
176 0.1 1
177 1.3 13
189 60 600
190 10 100
191 0.06 1
204 49 490
205 8.6 86
206 0.6 6
//