MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010706
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010706
RECORD_TITLE: (2E)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4,4)NON-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$NAME: (2E)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4,4)NON-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O2
CH$EXACT_MASS: 200.08373
CH$SMILES: CC#CC#CC([H])=C(O1)C([H])=C([H])C(C2)(OCC2)1
CH$IUPAC: InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+
CH$LINK: INCHIKEY
WTRXKCNFPMTAJV-KPKJPENVSA-N
AC$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: splash10-0udi-8930000000-54da540e8a73fc9bf120
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
41 16 160
42 13 130
43 6 60
47 0.8 8
50 25 250
51 16 160
52 7 70
53 0.9 9
54 13 130
55 14 140
62 6 60
63 1.1 11
64 4 40
65 8 80
66 6 60
67 1.15 12
68 5.5 55
69 6.5 65
74 12 120
75 1.4 14
76 25 250
77 16 160
78 10.5 105
79 1.5 15
82 9 90
83 23 230
85 32 320
86 0.4 4
87 7 70
88 6 60
89 6 60
91 1.1 11
92 3 30
93 3 30
94 3 30
95 0.6 6
96 5.5 55
100 3 30
101 3 30
102 1.9 19
103 7 70
104 5.5 55
105 6 60
106 0.6 6
107 11.5 115
108 7 70
109 3 30
113 0.3 3
114 4 40
115 32 320
116 14 140
117 0.6 6
118 3 30
119 2 20
127 12 120
128 2 20
129 22 220
130 15.5 155
131 7 70
132 0.4 4
133 3 30
139 4 40
141 13 130
142 0.4 4
143 10 100
144 13 130
145 4.5 45
152 0.45 5
153 5.5 55
155 6 60
156 6 60
157 1.95 20
158 17 170
159 8 80
169 16.5 165
170 2.6 26
171 18 180
172 14 140
173 3 30
183 0.3 3
184 4.5 45
185 16.5 165
186 3 30
199 1.9 19
200 99.99 999
201 15 150
202 3 30
//
system version 2.2.8-SNAPSHOT