ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004506
RECORD_TITLE: 1,5-DI-O-ACETYL-3,4,6-TRI-O-METHYL-2-N-METHYLACETAMIDO-2-DEOXYHEXITOL (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$NAME: 1,5-DI-O-ACETYL-3,4,6-TRI-O-METHYL-2-N-METHYLACETAMIDO-2-DEOXYHEXITOL (1-D)
CH$NAME: 1,5-DIACETOXY-3,4,6-TRIMETHOXY-2-N-METHYLACETAMIDOHEXANE (1-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H29NO8
CH$EXACT_MASS: 363.18932
CH$SMILES: COCC(OC(C)=O)C(OC)C(OC)C(N(C)C(C)=O)C([H])([2H])OC(C)=O
CH$IUPAC: InChI=1S/C16H29NO8/c1-10(18)17(4)13(8-24-11(2)19)15(22-6)16(23-7)14(9-21-5)25-12(3)20/h13-16H,8-9H2,1-7H3/i8D
CH$LINK: INCHIKEY VQVCINYAHOCEMY-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$SPLASH: splash10-066u-3910000000-1f79d30b460d3345a248
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  41 1.5 15
  42 4.1 41
  43 33.1 331
  44 0.15 2
  45 16.5 165
  56 3 30
  57 2.7 27
  58 0.32 3
  59 1.7 17
  69 1.2 12
  70 1.2 12
  71 0.4 4
  72 3.5 35
  73 2.2 22
  74 3.6 36
  75 2.35 24
  85 2.2 22
  86 1.5 15
  87 10.8 108
  88 0.55 6
  89 3.7 37
  98 2.6 26
  99 5.8 58
  100 0.9 9
  101 8.6 86
  113 7.8 78
  114 1.3 13
  115 0.25 3
  116 5.5 55
  117 99.99 999
  118 6.1 61
  119 0.21 2
  129 26.4 264
  130 3.2 32
  131 3.5 35
  142 0.39 4
  143 31.7 317
  144 2.9 29
  145 33 330
  146 0.26 3
  158 3 30
  159 51.6 516
  160 4.3 43
  161 1.44 14
  162 1.1 11
  171 2.1 21
  173 1.5 15
  202 0.13 1
  203 23.9 239
  204 2.7 27
  205 28 280
  206 0.28 3
  272 1.4 14
  273 1.4 14
//
