ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004510
RECORD_TITLE: 1,3,4,5,6-PENTA-O-ACETYL-2-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$NAME: 1,3,4,5,6-PENTA-O-ACETYL-2-O-METHYLHEXITOL(1-D)
CH$NAME: 1,3,4,5,6-PENTACETOXY-2-METHOXYHEXANE (1-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₁₁
CH$EXACT_MASS: 406.14751
CH$SMILES: CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC)C([2H])OC(C)=O
CH$IUPAC: InChI=1S/C17H26O11/c1-9(18)24-7-14(23-6)16(27-12(4)21)17(28-13(5)22)15(26-11(3)20)8-25-10(2)19/h14-17H,7-8H2,1-6H3/i7D
CH$LINK: INCHIKEY ICWCFTONPLAURK-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$SPLASH: splash10-014l-5900000000-58ac27d98dad7343912f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  43 80.1 801
  44 1.9 19
  45 1.9 19
  59 0.54 5
  61 1.1 11
  69 1 10
  73 1.2 12
  74 0.17 2
  85 2.8 28
  86 1.4 14
  87 5.3 53
  88 0.18 2
  97 9.3 93
  98 1.5 15
  100 1.4 14
  101 0.1 1
  103 3 30
  112 1.4 14
  113 1.1 11
  115 0.51 5
  116 1.2 12
  117 2.6 26
  118 99.99 999
  119 0.59 6
  120 1 10
  126 1.1 11
  127 1.1 11
  128 0.18 2
  129 9.7 97
  130 2.3 23
  139 20 200
  140 0.32 3
  145 2.5 25
  148 1.1 11
  154 1.2 12
  157 0.33 3
  160 4.9 49
  161 2.2 22
  171 3.1 31
  172 0.13 1
  187 1.3 13
  189 1.5 15
  202 1.8 18
  231 0.11 1
  259 4.8 48
  333 6.1 61
  334 1.1 11
//