MassBank Record: JP002450



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

ACCESSION: JP002450
RECORD_TITLE: (4S,5S)-2,2-DIMETHYL-4,5-BIS(TOSYLOXYMETHYL)-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$NAME: (4S,5S)-2,2-DIMETHYL-4,5-BIS(TOSYLOXYMETHYL)-1,3-DIOXOLANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H26O8S2 CH$EXACT_MASS: 470.10691 CH$SMILES: Cc(c3)ccc(c3)S(=O)(=O)OCC([H])(O1)C([H])(COS(=O)(=O)c(c2)ccc(C)c2)OC(C)(C)1 CH$IUPAC: InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/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$SPLASH: splash10-0a4i-5920400000-e7409cde3454571e2fee PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 39 1.7 17 41 4.8 48 42 3.1 31 43 3.86 39 44 4.8 48 45 2.5 25 55 9 90 56 0.34 3 57 8.7 87 58 11.2 112 59 2.2 22 60 0.31 3 65 2.5 25 67 2 20 68 2.8 28 69 3.71 37 70 4.5 45 71 4.5 45 73 4.8 48 79 0.36 4 81 4.2 42 82 3.1 31 83 3.6 36 84 0.45 5 85 5 50 91 41.4 414 92 3.9 39 95 0.98 10 97 3.4 34 105 2.2 22 107 3.6 36 108 0.7 7 109 2 20 111 6.7 67 113 38.6 386 114 0.28 3 115 5.9 59 121 2.2 22 123 3.9 39 124 1.43 14 125 3.6 36 126 27.1 271 127 6.2 62 129 5.57 56 130 3.1 31 136 2.2 22 137 2.5 25 139 0.2 2 141 3.1 31 149 9.3 93 155 88.6 886 156 1.15 12 157 6.7 67 172 2.8 28 173 1.7 17 204 0.53 5 213 5.6 56 227 47.1 471 228 3.9 39 229 0.17 2 241 8.1 81 285 10.9 109 455 99.99 999 456 2.29 23 457 10.9 109 458 2.2 22 //