MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005367
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005367
RECORD_TITLE: (E,E)-8,10-DODECADIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (E,E)-8,10-DODECADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: OCCCCCCCC([H])=C([H])C([H])=C([H])C
CH$IUPAC: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
CH$LINK: INCHIKEY
CSWBSLXBXRFNST-MQQKCMAXSA-N
CH$LINK: COMPTOX
DTXSID1035288
AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0159-9300000000-8601dde4fb5424566eef
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
43 5.6 56
44 8.9 89
45 14.2 142
56 0.2 2
57 4.3 43
58 8.6 86
59 10.7 107
60 0.12 1
66 3.8 38
67 41.9 419
68 99.99 999
69 0.97 10
70 5.1 51
71 4.8 48
72 8 80
73 2.81 28
74 1.4 14
75 2 20
77 1.2 12
78 0.14 1
79 26.4 264
80 11.9 119
81 62 620
82 2.72 27
83 5.1 51
84 2.4 24
85 1.9 19
86 0.32 3
87 14 140
88 6.5 65
89 25.8 258
90 0.13 1
91 1.4 14
93 15.6 156
94 12.5 125
95 1.58 16
96 15.3 153
97 5 50
98 6.7 67
99 0.17 2
100 2.1 21
101 4.8 48
102 3.7 37
103 1 10
105 1.3 13
106 2.2 22
107 10.7 107
108 0.64 6
109 7.2 72
110 2.9 29
111 4 40
112 0.26 3
114 1.2 12
115 1.4 14
116 1.8 18
117 0.53 5
119 1.8 18
120 3.1 31
121 15.7 157
122 0.57 6
123 2.6 26
125 1.2 12
130 1.3 13
131 0.57 6
132 3.8 38
133 16.6 166
134 2.6 26
135 1.08 11
136 2.5 25
138 1.7 17
147 3.1 31
149 0.14 1
151 1 10
161 2 20
163 3.6 36
164 1.65 17
165 2.6 26
175 3 30
177 3.6 36
181 0.73 7
182 39.8 398
183 5.2 52
//