MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002452
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002452
RECORD_TITLE: (4S,5S)-2-(2-CHLOROETHYL)-4,5-BIS(METHOXYMETHYL)-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$NAME: (4S,5S)-2-(2-CHLOROETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17ClO4
CH$EXACT_MASS: 224.08154
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(CCCl)1
CH$IUPAC: InChI=1S/C9H17ClO4/c1-11-5-7-8(6-12-2)14-9(13-7)3-4-10/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY
GVJGBRWIWGNQMU-YUMQZZPRSA-N
AC$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: splash10-0cdu-9500000000-0cd1200f568bf7d8981a
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
38 1.3 13
39 3.3 33
40 1.8 18
41 0.8 8
42 2 20
43 15.5 155
44 3.6 36
45 3.18 32
53 2.9 29
54 2 20
55 24.5 245
56 1 10
57 7.3 73
58 20.9 209
59 57.3 573
60 0.27 3
67 1.8 18
68 3.3 33
69 9.4 94
70 0.65 7
71 30 300
72 6.5 65
73 4.4 44
75 0.65 7
81 7.4 74
83 14.5 145
84 20.9 209
85 3.09 31
86 3.6 36
87 99.99 999
88 2.9 29
95 0.2 2
99 2.5 25
100 3.6 36
101 2.7 27
102 0.18 2
103 1.8 18
107 4.4 44
109 2.2 22
111 0.24 2
113 1.8 18
115 82.7 827
116 6.4 64
121 0.29 3
128 2.5 25
129 5.8 58
143 46.4 464
144 0.45 5
161 56.4 564
162 3.1 31
179 6.4 64
181 0.25 3
187 2.7 27
//