MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010712
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010712
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYIDENE)-1,6-DIOXASPIRO(4,5)DEC-3-ENE; 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$NAME: (2Z)-2-(2,4-HEXADIYNYIDENE)-1,6-DIOXASPIRO(4,5)DEC-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O2
CH$EXACT_MASS: 214.09938
CH$SMILES: CC#CC#CC([H])=C(O1)C([H])=C([H])C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8-
CH$LINK: INCHIKEY
RNEORCMLRJNFGE-JYRVWZFOSA-N
CH$LINK: COMPTOX
DTXSID70422033
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$SPLASH: splash10-06vi-9820000000-6ad47b6595f8b86cbf80
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
41 48 480
42 12 120
43 19 190
50 6.1 61
51 38 380
52 22.5 225
53 25.5 255
54 2.8 28
55 56 560
56 6 60
57 6 60
61 0.4 4
62 11.5 115
63 21 210
64 6.5 65
65 1.15 12
66 6 60
67 12 120
68 7 70
69 0.8 8
70 2 20
71 5 50
73 3 30
74 2.3 23
75 30 300
76 65 650
77 38.5 385
78 1.2 12
79 14 140
80 7 70
81 18 180
82 1.8 18
83 6 60
84 2 20
85 3 30
86 0.6 6
87 11 110
88 7.5 75
89 10.5 105
90 0.3 3
91 18 180
92 4.5 45
93 5 50
94 0.5 5
95 7 70
96 4 40
97 3.5 35
98 0.35 4
99 3.5 35
100 3 30
101 7 70
102 3.8 38
103 13 130
104 7.5 75
105 6 60
106 0.2 2
107 6 60
108 2 20
109 2 20
110 0.45 5
111 2 20
113 5 50
114 4 40
115 5.15 52
116 12 120
117 8 80
118 3 30
119 0.4 4
120 2 20
121 3 30
122 4 40
124 0.3 3
126 7 70
127 19.5 195
128 29 290
129 2.8 28
130 24 240
131 11 110
132 6 60
133 0.4 4
134 2 20
135 2 20
137 3 30
138 0.45 5
139 5.5 55
140 3 30
141 14 140
142 0.95 10
143 16 160
144 10 100
145 13 130
146 0.3 3
147 5 50
148 3 30
149 9 90
150 0.4 4
151 2.5 25
152 6 60
153 7 70
154 0.3 3
155 8 80
156 56 560
157 29 290
158 4 40
159 14 140
160 4 40
161 2.5 25
165 0.3 3
167 3 30
168 2 20
169 21 210
170 0.8 8
171 21 210
172 6 60
173 5 50
181 0.4 4
182 2 20
183 4 40
184 5 50
185 2.7 27
186 18 180
187 4 40
197 5 50
198 0.3 3
199 8 80
200 6.5 65
213 14 140
214 99.99 999
215 16 160
//
system version 2.2.8-SNAPSHOT