MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002433
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002433
RECORD_TITLE: 4,7,7,11ALPHA-TETRAMETHYL-5BETA,8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDEC-3-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4,7,7,11ALPHA-TETRAMETHYL-5BETA,8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDEC-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C3)C([H])(C1)C(C3)(C(C)2)C([H])(CC2)C(C)(C)1
CH$IUPAC: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-13(15)14(3,4)9-12(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m0/s1
CH$LINK: INCHIKEY
LWRQYYJLZXHPGU-KIFYNCCSSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fkj-1910000000-e641b31db1c459474f9a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
79 3.2 32
81 14.9 149
82 3.2 32
83 0.35 4
85 4.9 49
91 13.5 135
92 4.9 49
93 0.81 8
94 5.4 54
95 13.5 135
99 2.4 24
105 1.7 17
106 21.1 211
107 15.4 154
108 7.6 76
109 0.59 6
117 2.7 27
119 15.7 157
120 7.3 73
121 0.97 10
122 7.6 76
123 99.99 999
124 10.8 108
125 0.24 2
127 2.4 24
131 3 30
133 24.3 243
134 0.59 6
135 3.5 35
136 2.4 24
145 2.7 27
146 0.32 3
147 66.2 662
148 31.4 314
149 10.5 105
159 0.19 2
161 11.9 119
162 5.1 51
175 7.6 76
187 0.24 2
189 54.9 549
190 10.3 103
204 51.4 514
205 14.9 149
//