MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004554
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
//
system version 2.2.8-SNAPSHOT