MassBank Record: MSBNK-Osaka_Univ-OUF00246
ACCESSION: MSBNK-Osaka_Univ-OUF00246
RECORD_TITLE: L-Glucose; GC-EI-TOF; MS; n TMS; RT:723.043 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$NAME: L-Glucose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H12O6
CH$EXACT_MASS: 180.06339
CH$SMILES: OCC(O)C(O)C(O)C(O)C=O
CH$IUPAC: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1
CH$LINK: CAS
921-60-8
CH$LINK: CHEBI
37626
CH$LINK: CHEMSPIDER
9129332
CH$LINK: PUBCHEM
CID:10954115
CH$LINK: INCHIKEY
GZCGUPFRVQAUEE-VANKVMQKSA-N
AC$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 1877.108
AC$CHROMATOGRAPHY: RETENTION_TIME 723.043 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-066s-0931000000-a654a96dad0048091931
PK$NUM_PEAK: 221
PK$PEAK: m/z int. rel.int.
85 20 20
86 25 25
87 25 25
88 23 23
89 255 255
90 25 25
91 14 14
92 2 2
93 1 1
94 2 2
95 2 2
96 3 3
97 12 12
98 7 7
99 22 22
100 55 55
101 79 79
102 42 42
103 455 455
104 48 48
105 106 106
106 12 12
107 5 5
108 1 1
109 1 1
110 5 5
111 11 11
112 8 8
113 19 19
114 47 47
115 32 32
116 30 30
117 341 341
118 37 37
119 34 34
120 4 4
121 2 2
124 1 1
125 3 3
126 8 8
127 16 16
128 17 17
129 382 382
130 77 77
131 104 104
132 19 19
133 234 234
134 32 32
135 21 21
136 2 2
137 1 1
138 2 2
139 2 2
140 4 4
141 9 9
142 20 20
143 54 54
144 10 10
145 26 26
146 8 8
147 999 999
148 162 162
149 105 105
150 13 13
151 7 7
152 3 3
153 1 1
154 4 4
155 5 5
156 6 6
157 272 272
158 52 52
159 22 22
160 476 476
161 89 89
162 27 27
163 32 32
164 5 5
165 3 3
166 1 1
167 1 1
168 5 5
169 11 11
170 6 6
171 4 4
172 13 13
173 16 16
174 8 8
175 17 17
176 4 4
177 15 15
178 3 3
179 2 2
180 3 3
181 2 2
182 2 2
183 1 1
184 2 2
185 3 3
186 10 10
187 4 4
188 4 4
189 93 93
190 29 29
191 54 54
192 11 11
193 6 6
194 1 1
195 1 1
196 2 2
197 1 1
198 3 3
199 1 1
200 4 4
201 24 24
202 9 9
203 16 16
204 104 104
205 514 514
206 107 107
207 57 57
208 9 9
209 3 3
210 10 10
211 2 2
212 1 1
213 1 1
214 4 4
215 11 11
216 28 28
217 317 317
218 72 72
219 33 33
220 6 6
221 23 23
222 6 6
223 3 3
224 1 1
227 1 1
228 4 4
229 73 73
230 24 24
231 33 33
232 14 14
233 18 18
234 11 11
235 3 3
236 1 1
237 1 1
240 4 4
241 1 1
242 4 4
243 7 7
244 10 10
245 6 6
246 10 10
247 5 5
248 1 1
253 1 1
254 1 1
255 1 1
256 4 4
257 1 1
258 1 1
259 3 3
260 2 2
261 1 1
262 12 12
263 4 4
264 1 1
265 2 2
266 1 1
268 3 3
269 7 7
270 3 3
271 1 1
274 12 12
275 4 4
276 3 3
277 14 14
278 6 6
279 3 3
286 1 1
290 1 1
291 24 24
292 9 9
293 5 5
300 6 6
301 1 1
302 2 2
303 1 1
304 2 2
305 23 23
306 10 10
307 17 17
308 4 4
309 2 2
317 1 1
318 12 12
319 393 393
320 131 131
321 65 65
322 15 15
323 4 4
330 1 1
331 1 1
332 2 2
333 2 2
343 4 4
344 3 3
345 1 1
358 1 1
364 7 7
365 3 3
366 1 1
374 3 3
375 1 1
376 2 2
377 1 1
464 1 1
466 1 1
//
