MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002453
RECORD_TITLE: (4S,5S)-2-(BROMOMETHYL)-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$NAME: (4S,5S)-2-(BROMOMETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15BrO4
CH$EXACT_MASS: 254.01537
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(CBr)1
CH$IUPAC: InChI=1S/C8H15BrO4/c1-10-4-6-7(5-11-2)13-8(3-9)12-6/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1
CH$LINK: INCHIKEY
SUPVKDYNFYJGPT-BQBZGAKWSA-N
AC$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: splash10-03ds-9500000000-0d81a631ff9381fd8d16
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
39 2.5 25
41 8.1 81
42 3.9 39
43 2.34 23
44 3.7 37
45 53.2 532
55 8.9 89
57 0.35 4
58 6.4 64
59 37.7 377
68 3.5 35
69 1.18 12
70 7.9 79
71 19.5 195
73 7.4 74
75 0.27 3
82 3.5 35
83 3.7 37
84 10.6 106
85 4.16 42
87 67.5 675
88 3 30
94 2 20
100 0.37 4
101 4.2 42
103 5.2 52
115 12.1 121
116 0.74 7
129 14.3 143
151 3.5 35
153 2.5 25
161 99.99 999
162 8.4 84
163 2.2 22
179 2.5 25
209 0.94 9
211 6.4 64
//