MassBank Record: JP002458



 (4S,5S)-2-(1-BROMOETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //