MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002451
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002451
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2-VINYL-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$NAME: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2-VINYL-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O4
CH$EXACT_MASS: 188.10486
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C=C)1
CH$IUPAC: InChI=1S/C9H16O4/c1-4-9-12-7(5-10-2)8(13-9)6-11-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY
PRCMBYCDAYQMTC-YUMQZZPRSA-N
AC$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: splash10-05n3-9300000000-633d0409f13dd0d70191
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
39 7.1 71
41 18.1 181
42 3.6 36
43 2.29 23
44 2.5 25
45 60.2 602
53 4.1 41
54 0.25 3
55 36.1 361
56 13.8 138
57 20.5 205
58 2.77 28
59 83.1 831
60 3.6 36
67 3.6 36
68 0.66 7
69 9.4 94
70 8.2 82
71 45.8 458
72 1.12 11
73 4.8 48
75 4.6 46
81 3.8 38
83 2.17 22
84 27.7 277
85 41 410
86 4.6 46
87 99.99 999
88 4.1 41
89 2 20
95 3.1 31
99 0.31 3
100 7.1 71
101 6.1 61
102 5.6 56
111 0.61 6
113 4.6 46
114 2 20
115 78.3 783
116 0.33 3
126 4.1 41
128 4.1 41
143 83.1 831
144 1.02 10
161 12.7 127
188 5.6 56
189 0.8 8
//