MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002460
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002460
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2-METHYLENE-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2-METHYLENE-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(=C)1
CH$IUPAC: InChI=1S/C8H14O4/c1-6-11-7(4-9-2)8(12-6)5-10-3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY
MADXUPNXPHSEEM-YUMQZZPRSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-007n-9200000000-c26eed519c8372d58b3e
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
41 8.7 87
42 16.5 165
43 83.7 837
44 0.73 7
45 99.99 999
46 4.6 46
53 11.9 119
54 0.18 2
55 53.5 535
56 2.7 27
57 11 110
58 3.95 40
59 17.8 178
60 2.3 23
68 18.3 183
69 1.46 15
70 24.3 243
71 22.9 229
72 7.3 73
73 0.55 6
74 5 50
75 34.9 349
82 3.2 32
83 0.92 9
84 67.4 674
85 37.2 372
86 4.6 46
87 7.91 79
88 6.4 64
89 2.3 23
97 5.5 55
99 1.14 11
100 15.6 156
101 5.5 55
102 16.5 165
103 0.27 3
105 4.1 41
112 8.2 82
113 3.2 32
115 9.07 91
116 7.3 73
117 8.2 82
129 11.4 114
132 0.18 2
142 2.7 27
144 11 110
147 30.2 302
148 0.37 4
161 5.9 59
174 20.1 201
175 3.7 37
//