ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY KPFDKWNWYAXRNJ-PMACEKPBSA-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$SPLASH: splash10-0a4i-5920400000-e7409cde3454571e2fee
PK$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
//