MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002831
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002831
RECORD_TITLE: DELTA-ELEMENE; 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$NAME: DELTA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C(C1)=CC([H])(C(C)=C)C(C)(C=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1
CH$LINK: INCHIKEY
MXDMETWAEGIFOE-CABCVRRESA-N
CH$LINK: COMPTOX
DTXSID10149196
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: splash10-00du-6900000000-45f0aaceb4efe9a71730
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
27 8.6 86
39 11 110
41 31.1 311
42 0.1 1
43 21.1 211
51 2.5 25
52 1.5 15
53 1.21 12
54 1 10
55 12.7 127
57 0.8 8
64 0.05 1
65 6.1 61
66 2 20
67 7.6 76
68 0.22 2
69 4 40
77 20.6 206
78 2.3 23
79 1.98 20
80 5.5 55
81 7.3 73
82 0.5 5
89 0.08 1
90 0.8 8
91 22.5 225
92 10.1 101
93 8.58 86
94 15.5 155
95 3.2 32
103 1 10
104 0.06 1
105 16.1 161
106 3 30
107 15 150
108 0.52 5
109 1.5 15
119 7.5 75
120 2.2 22
121 99.99 999
122 11.6 116
123 1.3 13
127 0.8 8
128 0.13 1
129 1.1 11
130 0.8 8
131 0.5 5
133 0.11 1
134 1.5 15
135 2.1 21
136 74 740
137 0.08 1
138 0.5 5
145 1 10
147 1.6 16
148 0.17 2
160 1.3 13
161 30 300
162 5.5 55
175 0.08 1
176 0.5 5
189 3.1 31
190 0.5 5
204 0.61 6
205 1 10
//