MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002458
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002458
RECORD_TITLE: (4S,5S)-2-(1-BROMOETHYL)-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$NAME: (4S,5S)-2-(1-BROMOETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17BrO4
CH$EXACT_MASS: 268.03102
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C(C)Br)1
CH$IUPAC: InChI=1S/C9H17BrO4/c1-6(10)9-13-7(4-11-2)8(14-9)5-12-3/h6-9H,4-5H2,1-3H3/t6?,7-,8-/m0/s1
CH$LINK: INCHIKEY
LCTPJEBXTXYYCG-ALKRTJFJSA-N
AC$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: splash10-03dr-9600000000-c4726927b506877004cc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
39 3.4 34
40 1.5 15
41 8.6 86
42 0.24 2
43 18.8 188
44 2.2 22
45 41.1 411
53 0.22 2
55 15.2 152
56 5.7 57
57 5.3 53
58 0.7 7
59 29.5 295
69 9.1 91
71 13.4 134
72 0.19 2
73 2.6 26
75 4.5 45
80 5.7 57
82 0.43 4
83 8.6 86
84 6.7 67
85 34.8 348
86 0.28 3
87 25.9 259
99 6.2 62
100 2.8 28
101 0.33 3
103 6.4 64
113 2.2 22
114 4 40
115 9.2 92
116 9.8 98
129 6.4 64
143 17.9 179
151 0.33 3
161 99.99 999
162 14.3 143
163 1.7 17
188 0.43 4
222 2.2 22
224 1.5 15
//
system version 2.2.8-SNAPSHOT