MassBank Record: MSBNK-Kazusa-KZ000248
ACCESSION: MSBNK-Kazusa-KZ000248
RECORD_TITLE: N-Acetyl-D-glucosamine; GC-EI-TOF; MS; 4 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01612_P000110
CH$NAME: N-Acetyl-D-glucosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H15NO6
CH$EXACT_MASS: 221.08994
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1
CH$IUPAC: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
CH$LINK: CAS
7512-17-6
CH$LINK: KEGG
C00140
CH$LINK: INCHIKEY
OVRNDRQMDRJTHS-RTRLPJTCSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2030.5
AC$CHROMATOGRAPHY: RETENTION_TIME 931.312 sec
MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0ktb-1931000000-1c4cb4ec9b01c3571b7d
PK$NUM_PEAK: 273
PK$PEAK: m/z int. rel.int.
82 30 30
83 63 63
84 30 30
85 26 26
86 39 39
87 88 88
88 22 22
89 268 268
90 25 25
91 14 14
92 3 3
93 4 4
94 5 5
95 12 12
96 20 20
97 14 14
98 14 14
99 32 32
100 79 79
101 102 102
102 54 54
103 410 410
104 42 42
105 51 51
106 8 8
107 5 5
108 4 4
109 9 9
110 7 7
111 15 15
112 20 20
113 53 53
114 65 65
115 40 40
116 111 111
117 399 399
118 47 47
119 36 36
120 6 6
121 4 4
122 3 3
123 4 4
124 3 3
125 7 7
126 14 14
127 30 30
128 24 24
129 443 443
130 74 74
131 107 107
132 28 28
133 180 180
134 27 27
135 17 17
136 2 2
137 7 7
138 4 4
139 6 6
140 9 9
141 20 20
142 24 24
143 49 49
144 38 38
145 15 15
146 6 6
147 999 999
148 163 163
149 101 101
150 12 12
151 7 7
152 7 7
153 12 12
154 17 17
155 19 19
156 32 32
157 244 244
158 54 54
159 183 183
160 29 29
161 13 13
162 7 7
163 20 20
164 4 4
165 4 4
166 4 4
167 9 9
168 14 14
169 29 29
170 24 24
171 50 50
172 19 19
173 58 58
174 14 14
175 14 14
176 4 4
177 7 7
178 3 3
179 5 5
180 4 4
181 7 7
182 7 7
183 14 14
184 6 6
185 10 10
186 17 17
187 7 7
188 8 8
189 54 54
190 20 20
191 59 59
192 12 12
193 7 7
194 3 3
195 9 9
196 6 6
197 4 4
198 4 4
199 6 6
200 6 6
201 241 241
202 125 125
203 37 37
204 86 86
205 526 526
206 106 106
207 55 55
208 8 8
209 4 4
210 7 7
211 4 4
212 4 4
213 33 33
214 12 12
215 9 9
216 9 9
217 138 138
218 31 31
219 15 15
220 4 4
221 17 17
222 5 5
223 3 3
224 2 2
225 2 2
226 2 2
227 9 9
228 6 6
229 74 74
230 39 39
231 26 26
232 10 10
233 4 4
234 2 2
235 2 2
236 1 1
237 3 3
238 2 2
239 2 2
240 3 3
241 4 4
242 8 8
243 32 32
244 16 16
245 17 17
246 18 18
247 6 6
248 2 2
249 1 1
250 1 1
251 2 2
252 1 1
253 1 1
254 2 2
255 5 5
256 4 4
257 6 6
258 11 11
259 5 5
260 5 5
261 1 1
262 1 1
263 1 1
265 2 2
267 1 1
268 3 3
269 5 5
270 5 5
271 4 4
272 3 3
273 3 3
274 20 20
275 8 8
276 4 4
277 10 10
278 4 4
279 2 2
281 1 1
282 1 1
283 1 1
284 5 5
285 11 11
286 5 5
287 2 2
288 1 1
290 2 2
291 14 14
292 4 4
293 3 3
294 1 1
295 1 1
297 1 1
299 1 1
300 3 3
301 2 2
302 2 2
303 11 11
304 4 4
305 11 11
306 4 4
307 5 5
308 1 1
309 2 2
310 3 3
311 1 1
314 3 3
315 38 38
316 11 11
317 5 5
318 20 20
319 315 315
320 98 98
321 47 47
322 10 10
323 2 2
327 1 1
328 1 1
331 1 1
332 3 3
333 5 5
334 2 2
341 1 1
342 1 1
343 1 1
344 1 1
345 3 3
346 1 1
347 1 1
358 1 1
359 1 1
360 1 1
361 1 1
372 1 1
373 1 1
374 2 2
375 1 1
376 1 1
384 1 1
385 1 1
399 3 3
400 1 1
401 1 1
405 2 2
406 1 1
417 1 1
431 1 1
432 1 1
433 1 1
448 1 1
488 1 1
489 5 5
490 3 3
491 2 2
492 1 1
//
