ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004554
RECORD_TITLE: PENTATRIMETHYLSILYL GLUCOSAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PENTATRIMETHYLSILYL GLUCOSAMINE
CH$NAME: 1,2,3,4,6-PENTATRIMETHYLSILYL 2-AMINO-2-DEOXY-D-GLUCOSE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₅₃NO₅Si₅
CH$EXACT_MASS: 539.27701
CH$SMILES: C[Si](C)(C)OCC([H])(O[Si](C)(C)C)C([H])(O[Si](C)(C)C)C([H])(O[Si](C)(C)C)C([H])(C=O)N[Si](C)(C)C
CH$IUPAC: InChI=1S/C21H53NO5Si5/c1-28(2,3)22-18(16-23)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h16,18-22H,17H2,1-15H3/t18-,19+,20+,21+/m0/s1
CH$LINK: INCHIKEY QGZLJFWINYQKTC-DOIPELPJSA-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$SPLASH: splash10-0ul0-7890000000-4ad852613fc0a591905a
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  55 1.7 17
  56 1.6 16
  57 2.8 28
  59 0.38 4
  61 1.2 12
  67 1 10
  69 1.4 14
  70 0.09 1
  71 1.1 11
  72 1.9 19
  73 91.6 916
  74 0.92 9
  75 43.5 435
  76 3.9 39
  77 2.7 27
  79 0.13 1
  80 1.6 16
  81 1 10
  82 0.2 2
  83 0.09 1
  84 1.5 15
  85 0.7 7
  89 2 20
  91 0.14 1
  93 0.1 1
  95 0.8 8
  97 0.2 2
  100 0.37 4
  101 2.3 23
  102 1.4 14
  103 9.5 95
  104 0.18 2
  105 2.7 27
  108 1.3 13
  109 0.4 4
  111 0.03 0
  115 2.6 26
  116 3.1 31
  117 8.8 88
  118 0.18 2
  119 1.6 16
  123 1.3 13
  128 3.7 37
  129 0.5 5
  130 2.4 24
  131 87.2 872
  132 10 100
  133 0.75 8
  142 1.7 17
  143 1.2 12
  144 8.8 88
  145 0.31 3
  146 1.3 13
  147 16.5 165
  148 3.5 35
  149 0.86 9
  156 1.5 15
  169 1.4 14
  172 1.3 13
  188 0.15 2
  189 3 30
  191 6.4 64
  200 1.4 14
  202 0.43 4
  203 99.99 999
  204 29.3 293
  205 11.9 119
  206 0.24 2
  216 13 130
  217 18.2 182
  218 7.5 75
  219 0.34 3
  231 3 30
  232 1.9 19
  259 1.2 12
  303 0.27 3
  304 6.7 67
  305 2.7 27
  434 1.2 12
//