ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004502
RECORD_TITLE: 1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: 1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D)
CH$NAME: 1,5,6-TRIACETOXY-2,3,4-TRIMETHOXYHEXANE (1-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O9
CH$EXACT_MASS: 350.15768
CH$SMILES: CC(=O)OCC(OC(C)=O)C(OC)C(OC)C(OC)C([H])([2H])OC(C)=O
CH$IUPAC: InChI=1S/C15H26O9/c1-9(16)22-7-12(19-4)14(20-5)15(21-6)13(24-11(3)18)8-23-10(2)17/h12-15H,7-8H2,1-6H3/i7D
CH$LINK: INCHIKEY RUAAXNGDIMCTCD-WHRKIXHSSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9700000000-fcf07294c77a7ace9f20
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  41 1.7 17
  42 2.7 27
  43 99.99 999
  44 0.32 3
  45 7.3 73
  46 1.4 14
  59 6.2 62
  60 0.13 1
  69 1 10
  70 1.9 19
  71 5.8 58
  72 0.23 2
  73 3.1 31
  74 3.2 32
  75 3.6 36
  76 0.14 1
  85 1.5 15
  87 32 320
  88 12.8 128
  89 0.36 4
  99 38.4 384
  100 5.7 57
  101 11.1 111
  102 8.52 85
  103 7.1 71
  113 6.9 69
  114 1.3 13
  115 0.13 1
  117 5.9 59
  118 74.4 744
  119 4.3 43
  129 6.22 62
  130 11.1 111
  131 4.6 46
  132 1.1 11
  142 0.1 1
  143 1.7 17
  159 5.2 52
  161 2.7 27
  162 3.29 33
  163 2.5 25
  173 7.4 74
  174 2.2 22
  189 2.59 26
  190 2.5 25
  233 5.2 52
  234 1 10
//
