MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010679
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010679
RECORD_TITLE: GERMACRENE-D; 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$NAME: GERMACRENE-D
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C1)CCC(C=CC(=C)CC1)C(C)C
CH$IUPAC: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-/t15-/m0/s1
CH$LINK: INCHIKEY
GAIBLDCXCZKKJE-ACWLMNNXSA-N
AC$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: splash10-01po-7900000000-43e575b47c041c6e0df9
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
41 39 390
42 4 40
43 20 200
51 0.4 4
53 11.5 115
55 21.5 215
56 4.5 45
57 2.8 28
65 8 80
67 12.5 125
69 15.5 155
70 0.5 5
71 11.5 115
77 25 250
78 8 80
79 3.45 35
80 9 90
81 37 370
82 5 50
83 0.7 7
85 9.5 95
91 55 550
92 18 180
93 5.55 56
94 18 180
95 17 170
96 5 50
97 0.5 5
99 4 40
103 5 50
104 4 40
105 9.6 96
106 18 180
107 25 250
108 8 80
109 0.9 9
115 9 90
116 4 40
117 10.5 105
118 0.4 4
119 46 460
120 19 190
121 20 200
122 0.7 7
123 10 100
128 6 60
129 6 60
131 0.7 7
133 25.5 255
134 11.5 115
135 10 100
136 0.8 8
141 4 40
145 7 70
147 12.5 125
148 0.9 9
149 5 50
157 6 60
159 8 80
160 0.5 5
161 99.99 999
162 15.5 155
189 11 110
204 3.7 37
205 7 70
//
system version 2.2.6-SNAPSHOT