ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002456
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2,2-DIMETHYL-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$NAME: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₄
CH$EXACT_MASS: 190.12051
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C)(C)1
CH$IUPAC: InChI=1S/C9H18O4/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY KAQOEQVWUJDLKN-YUMQZZPRSA-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$SPLASH: splash10-00ov-6900000000-8920d95a5eb2c8ee24f0
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  40 2.3 23
  41 6.6 66
  42 0.32 3
  43 57.5 575
  44 3.7 37
  45 8.7 87
  53 0.23 2
  55 14.9 149
  57 4.6 46
  58 17.2 172
  59 8.74 87
  69 7.1 71
  70 1.8 18
  71 3.9 39
  73 2.18 22
  75 3.7 37
  83 4.6 46
  84 2.3 23
  85 2.99 30
  86 1.8 18
  87 40.2 402
  88 1.8 18
  95 0.92 9
  100 1.8 18
  101 1.8 18
  113 4.1 41
  114 0.23 2
  115 62.1 621
  116 3.4 34
  117 2.8 28
  127 0.94 9
  143 15.1 151
  145 58.6 586
  146 8.3 83
  175 99.99 999
  176 7.8 78
//