MassBank Record: MSBNK-Osaka_Univ-OUF00150
ACCESSION: MSBNK-Osaka_Univ-OUF00150
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; n TMS; RT:743.108 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: D-(+)-Galactosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H13NO5
CH$EXACT_MASS: 179.07937
CH$SMILES: O=CC(N)C(O)C(O)C(O)CO
CH$IUPAC: InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/s1
CH$LINK: CAS
7535-00-4
CH$LINK: CHEBI
28328
CH$LINK: CHEMSPIDER
2073127
CH$LINK: PUBCHEM
CID:2794221
CH$LINK: INCHIKEY
FZHXIRIBWMQPQF-KCDKBNATSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1926.781
AC$CHROMATOGRAPHY: RETENTION_TIME 743.108 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0a4i-0920000000-b03853246c403c953045
PK$NUM_PEAK: 228
PK$PEAK: m/z int. rel.int.
85 16 16
86 37 37
87 31 31
88 20 20
89 166 166
90 19 19
91 9 9
93 4 4
94 1 1
95 2 2
96 6 6
97 6 6
98 13 13
99 20 20
100 111 111
101 97 97
102 81 81
103 345 345
104 39 39
105 84 84
106 9 9
107 3 3
109 1 1
110 9 9
111 10 10
112 9 9
113 26 26
114 12 12
115 23 23
116 28 28
117 227 227
118 33 33
119 26 26
120 4 4
121 2 2
123 1 1
124 2 2
125 5 5
126 12 12
127 27 27
128 41 41
129 307 307
130 65 65
131 73 73
132 29 29
133 136 136
134 23 23
135 13 13
137 6 6
138 1 1
139 1 1
140 5 5
141 25 25
142 27 27
143 39 39
144 23 23
145 14 14
146 19 19
147 654 654
148 109 109
149 63 63
150 9 9
151 5 5
152 3 3
153 5 5
154 3 3
155 4 4
156 6 6
157 158 158
158 32 32
159 999 999
160 141 141
161 51 51
162 9 9
163 20 20
164 2 2
165 5 5
167 2 2
168 18 18
169 7 7
170 6 6
171 7 7
172 19 19
173 12 12
174 7 7
175 11 11
176 5 5
177 9 9
178 3 3
179 3 3
180 2 2
181 2 2
182 3 3
183 1 1
184 2 2
185 6 6
186 6 6
187 6 6
188 12 12
189 49 49
190 28 28
191 21 21
192 4 4
193 3 3
194 1 1
195 4 4
196 2 2
197 3 3
198 1 1
199 3 3
200 13 13
201 63 63
202 23 23
203 41 41
204 62 62
205 388 388
206 81 81
207 42 42
208 8 8
209 2 2
211 1 1
212 2 2
213 9 9
214 10 10
215 15 15
216 40 40
217 157 157
218 38 38
219 22 22
220 6 6
221 10 10
222 2 2
223 1 1
227 7 7
228 4 4
229 52 52
230 20 20
231 24 24
232 30 30
233 19 19
234 10 10
235 2 2
237 1 1
238 1 1
239 2 2
240 16 16
241 11 11
242 9 9
243 11 11
244 7 7
245 3 3
246 1 1
247 3 3
249 1 1
253 2 2
254 1 1
255 1 1
256 4 4
257 1 1
258 4 4
259 2 2
260 1 1
261 3 3
263 1 1
267 6 6
268 3 3
269 2 2
270 1 1
271 1 1
272 2 2
273 46 46
274 16 16
275 6 6
276 2 2
277 11 11
278 7 7
279 3 3
280 1 1
282 1 1
285 2 2
289 1 1
290 5 5
291 15 15
292 6 6
293 3 3
294 1 1
301 1 1
302 1 1
303 14 14
304 14 14
305 11 11
306 6 6
307 12 12
308 3 3
309 2 2
315 1 1
316 2 2
317 2 2
318 8 8
319 194 194
320 82 82
321 39 39
322 11 11
323 2 2
330 5 5
331 3 3
332 3 3
333 2 2
334 1 1
357 4 4
358 2 2
359 1 1
360 1 1
364 1 1
373 1 1
375 2 2
406 1 1
409 1 1
412 1 1
420 2 2
421 1 1
432 1 1
446 2 2
447 6 6
448 5 5
449 2 2
450 1 1
452 1 1
//
system version 2.2.8-SNAPSHOT