ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004504
RECORD_TITLE: 1,2,4,5-TETRA-O-ACETYL-3,6-DI-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$NAME: 1,2,4,5-TETRA-O-ACETYL-3,6-DI-O-METHYLHEXITOL (1-D)
CH$NAME: 1,2,4,5-TETRACETOXY-3,6-DIMETHOXYHEXANE (1-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆O₁₀
CH$EXACT_MASS: 378.15260
CH$SMILES: COCC(OC(C)=O)C(OC(C)=O)C(OC)C(OC(C)=O)C([H])([2H])OC(C)=O
CH$IUPAC: InChI=1S/C16H26O10/c1-9(17)23-8-14(25-11(3)19)15(22-6)16(26-12(4)20)13(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/i8D
CH$LINK: INCHIKEY BWFYMIDEWZXNAH-BNEYPBHNSA-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$SPLASH: splash10-001l-6910000000-0757ffc8ac6dc11260aa
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  41 1 10
  42 2.3 23
  43 64.6 646
  44 0.21 2
  45 14.3 143
  55 1.3 13
  56 2.1 21
  57 0.11 1
  59 2.8 28
  69 1.1 11
  70 2 20
  71 0.39 4
  72 4.7 47
  73 1.3 13
  74 4.7 47
  75 0.33 3
  81 1.4 14
  82 1.1 11
  85 3.8 38
  86 0.19 2
  87 24.9 249
  88 43.9 439
  89 8.3 83
  98 0.64 6
  99 18.9 189
  100 4.9 49
  101 8.6 86
  103 0.11 1
  104 1.3 13
  112 3.5 35
  113 34.5 345
  114 0.37 4
  115 3.6 36
  116 1.5 15
  117 5.5 55
  124 0.15 2
  126 2 20
  128 1.2 12
  129 17.6 176
  130 99.99 999
  131 20.4 204
  132 1.8 18
  140 4.6 46
  142 0.44 4
  143 2.2 22
  145 1.1 11
  146 1.7 17
  147 0.47 5
  156 2.1 21
  157 1.7 17
  158 2.4 24
  159 0.16 2
  160 2.4 24
  172 1.3 13
  173 6.9 69
  174 0.19 2
  189 3.2 32
  190 49.7 497
  191 5 50
  192 0.1 1
  205 6.5 65
  214 1 10
  230 1 10
  232 0.28 3
  233 31.7 317
  234 3.6 36
  274 1.3 13
  290 2.3 23
//