MassBank Record: MSBNK-Kazusa-KZ000249
ACCESSION: MSBNK-Kazusa-KZ000249
RECORD_TITLE: N-Acetyl-D-mannosamine; 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_01613_P000103
CH$NAME: N-Acetyl-D-mannosamine
CH$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$LINK: CAS
3615-17-6
CH$LINK: KEGG
C00645
CH$LINK: INCHIKEY
OVRNDRQMDRJTHS-ZTVVOAFPSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 2044.0
AC$CHROMATOGRAPHY: RETENTION_TIME 936.544 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-1931000000-24e6942e5a1899d02689
PK$NUM_PEAK: 292
PK$PEAK: m/z int. rel.int.
82 29 29
83 68 68
84 27 27
85 25 25
86 26 26
87 71 71
88 20 20
89 258 258
90 27 27
91 15 15
92 3 3
93 3 3
94 5 5
95 11 11
96 16 16
97 12 12
98 13 13
99 30 30
100 68 68
101 95 95
102 46 46
103 361 361
104 38 38
105 43 43
106 7 7
107 5 5
108 4 4
109 7 7
110 8 8
111 15 15
112 22 22
113 53 53
114 52 52
115 36 36
116 104 104
117 406 406
118 48 48
119 34 34
120 7 7
121 4 4
122 3 3
123 4 4
124 3 3
125 7 7
126 14 14
127 28 28
128 22 22
129 461 461
130 75 75
131 103 103
132 27 27
133 176 176
134 25 25
135 17 17
136 3 3
137 7 7
138 4 4
139 7 7
140 10 10
141 18 18
142 22 22
143 50 50
144 31 31
145 14 14
146 5 5
147 999 999
148 165 165
149 101 101
150 14 14
151 8 8
152 7 7
153 11 11
154 14 14
155 20 20
156 28 28
157 265 265
158 52 52
159 173 173
160 26 26
161 13 13
162 6 6
163 19 19
164 4 4
165 5 5
166 4 4
167 10 10
168 13 13
169 22 22
170 23 23
171 58 58
172 20 20
173 37 37
174 12 12
175 13 13
176 4 4
177 7 7
178 4 4
179 5 5
180 4 4
181 7 7
182 8 8
183 14 14
184 7 7
185 12 12
186 17 17
187 7 7
188 8 8
189 52 52
190 20 20
191 64 64
192 13 13
193 8 8
194 4 4
195 7 7
196 6 6
197 5 5
198 4 4
199 5 5
200 6 6
201 214 214
202 135 135
203 36 36
204 76 76
205 537 537
206 107 107
207 55 55
208 8 8
209 5 5
210 6 6
211 4 4
212 3 3
213 23 23
214 10 10
215 9 9
216 9 9
217 123 123
218 28 28
219 14 14
220 4 4
221 17 17
222 6 6
223 4 4
224 2 2
225 3 3
226 2 2
227 9 9
228 6 6
229 73 73
230 40 40
231 24 24
232 10 10
233 3 3
234 2 2
235 1 1
236 1 1
237 3 3
238 3 3
239 2 2
240 4 4
241 4 4
242 8 8
243 28 28
244 15 15
245 15 15
246 12 12
247 5 5
248 2 2
249 2 2
250 1 1
251 2 2
252 2 2
253 2 2
254 1 1
255 5 5
256 4 4
257 6 6
258 10 10
259 4 4
260 6 6
261 2 2
262 2 2
263 1 1
264 1 1
265 3 3
266 1 1
267 1 1
268 2 2
269 4 4
270 3 3
271 4 4
272 3 3
273 2 2
274 16 16
275 6 6
276 3 3
277 8 8
278 4 4
279 1 1
280 1 1
281 1 1
282 1 1
283 1 1
284 4 4
285 5 5
286 3 3
287 2 2
288 1 1
289 1 1
290 2 2
291 13 13
292 5 5
293 3 3
294 2 2
295 1 1
296 1 1
297 2 2
299 1 1
300 3 3
301 2 2
302 2 2
303 5 5
304 3 3
305 11 11
306 4 4
307 4 4
308 2 2
309 2 2
310 3 3
311 2 2
312 1 1
313 1 1
314 1 1
315 15 15
316 4 4
317 3 3
318 27 27
319 312 312
320 98 98
321 46 46
322 9 9
323 2 2
324 1 1
327 1 1
330 1 1
331 1 1
332 3 3
333 2 2
334 1 1
336 1 1
338 1 1
339 1 1
340 1 1
341 2 2
342 2 2
343 1 1
344 2 2
345 1 1
346 1 1
347 1 1
348 1 1
355 1 1
357 1 1
358 1 1
359 1 1
360 1 1
361 1 1
362 1 1
363 1 1
371 1 1
372 1 1
373 1 1
374 2 2
375 1 1
376 1 1
377 1 1
383 1 1
384 1 1
385 1 1
386 1 1
387 1 1
388 1 1
390 1 1
394 1 1
398 1 1
399 2 2
400 1 1
404 1 1
405 3 3
417 1 1
431 1 1
489 1 1
490 1 1
//
