MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012102
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012102
RECORD_TITLE: 1,3-BENZENDIOL BIS(2-PROPENYL)ETHER BISEPOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-BENZENDIOL BIS(2-PROPENYL)ETHER BISEPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O4
CH$EXACT_MASS: 222.08921
CH$SMILES: c(c1)cc(OCC(O3)C3)cc1OCC(O2)C2
CH$IUPAC: InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
CH$LINK: INCHIKEY
WPYCRFCQABTEKC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020470
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00di-9640000000-92e200fa60c09517dc94
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
38 3.5 35
39 12.4 124
41 11.5 115
43 6.4 64
50 3.1 31
51 4.3 43
52 4.6 46
53 6.4 64
55 6.6 66
57 63.8 638
58 3.1 31
63 9.1 91
64 11 110
65 11.2 112
66 2.8 28
67 3.8 38
68 3.4 34
69 5.9 59
76 2.4 24
77 12.4 124
78 2.9 29
79 7.1 71
80 2.8 28
81 7.4 74
82 8.7 87
91 9 90
92 8.1 81
93 9.5 95
94 3.4 34
95 5.4 54
103 5.2 52
105 4.3 43
107 10.9 109
108 3.6 36
109 2.2 22
110 35 350
111 3.5 35
119 5.2 52
121 4.1 41
123 17.6 176
124 2.7 27
133 2.1 21
134 4.5 45
135 8.8 88
136 10.9 109
137 4.2 42
147 2.5 25
149 10.4 104
163 2.8 28
166 27.9 279
167 3.1 31
192 4.3 43
222 99.99 999
223 21.1 211
224 3.1 31
//