ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004503
RECORD_TITLE: 4-O-ACETYL-1,3,5,6-TETRA-O-METHYL-2-N-METHYLACETAMIDO-2-DEOXYHEXITOL; 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$NAME: 4-O-ACETYL-1,3,5,6-TETRA-O-METHYL-2-N-METHYLACETAMIDO-2-DEOXYHEXITOL
CH$NAME: 4-ACETOXY-1,3,5,6-TETRAMETHOXY-2-N-METHYLACETAMIDOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₉NO₇
CH$EXACT_MASS: 335.19440
CH$SMILES: COCC(OC)C(OC(C)=O)C(OC)C(COC)N(C)C(C)=O
CH$IUPAC: InChI=1S/C15H29NO7/c1-10(17)16(3)12(8-19-4)14(22-7)15(23-11(2)18)13(21-6)9-20-5/h12-15H,8-9H2,1-7H3
CH$LINK: INCHIKEY TZHLYKLJDVRHJC-UHFFFAOYSA-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$SPLASH: splash10-0019-9810000000-96e09f36eb2a1d0e6c76
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 2 20
  42 3.3 33
  43 18.3 183
  44 0.21 2
  45 17.2 172
  55 1 10
  56 8.7 87
  57 0.38 4
  58 2.8 28
  59 9.4 94
  68 1.1 11
  71 0.32 3
  72 3.1 31
  73 1.3 13
  74 4.3 43
  75 0.21 2
  85 2 20
  86 3.5 35
  87 5.1 51
  88 99.99 999
  89 29.6 296
  90 1.5 15
  98 2.4 24
  99 0.77 8
  100 4.3 43
  101 39.6 396
  102 2.1 21
  110 0.1 1
  112 1.6 16
  113 9.7 97
  114 2.5 25
  115 0.12 1
  116 1.1 11
  117 2.7 27
  118 1.1 11
  124 0.76 8
  125 2.3 23
  126 1.1 11
  128 2.9 29
  129 0.5 5
  130 87.3 873
  131 9.7 97
  132 1.6 16
  142 2.02 20
  143 2.8 28
  145 4.3 43
  156 10.6 106
  157 0.55 6
  170 2 20
  172 1.4 14
  173 6.4 64
  174 0.52 5
  184 2.5 25
  188 2.3 23
  198 3.6 36
  205 4.52 45
  206 4.6 46
  216 1.7 17
  230 6 60
  248 0.22 2
  290 15.8 158
  291 2.4 24
//