MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010678
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010678
RECORD_TITLE: GERMACRENE-B; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: GERMACRENE-B
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C1)CCC(CC=C(C)CC1)=C(C)C
CH$IUPAC: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9-
CH$LINK: INCHIKEY
GXEGJTGWYVZSNR-JEKCHIPQSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9500000000-e387782d579e0e7098eb
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 17.3 173
43 28.2 282
51 1.64 16
52 13.2 132
53 71.4 714
54 7.7 77
55 4.73 47
56 8.6 86
57 9.6 96
63 9.1 91
65 2.82 28
66 12.7 127
67 68.3 683
68 24.6 246
69 1.96 20
77 51 510
78 14.6 146
79 54.6 546
80 1.73 17
81 43.7 437
82 9.6 96
83 10 100
85 0.77 8
91 61 610
92 16.4 164
93 82.8 828
94 1.55 16
95 15.9 159
103 10 100
105 57.3 573
106 1.73 17
107 46.9 469
108 20.9 209
109 13.7 137
115 1.09 11
117 11.8 118
119 35.5 355
120 95.6 956
121 6.96 70
122 28.7 287
123 10 100
128 7.3 73
129 0.73 7
131 8.6 86
133 28.7 287
134 11.8 118
135 1.09 11
136 9.6 96
140 8.6 86
147 20.9 209
148 1.23 12
149 9.1 91
161 30 300
162 10 100
189 1.64 16
204 27.3 273
205 7.7 77
//
system version 2.2.6-SNAPSHOT