MassBank Record: MSBNK-Osaka_Univ-OUF00236
ACCESSION: MSBNK-Osaka_Univ-OUF00236
RECORD_TITLE: D-(+)-Galactose; GC-EI-TOF; MS; n TMS; RT:730.094 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$NAME: D-(+)-Galactose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H12O6
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
CH$LINK: CAS
26566-61-0
CH$LINK: CHEBI
17118
CH$LINK: CHEMSPIDER
2301265
CH$LINK: PUBCHEM 3037556
CH$LINK: INCHIKEY
WQZGKKKJIJFFOK-SVZMEOIVSA-N
CH$LINK: COMPTOX
DTXSID0023088
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$CHROMATOGRAPHY: RETENTION_INDEX 1894.099
AC$CHROMATOGRAPHY: RETENTION_TIME 730.094 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0ldj-0931000000-1ed532d5d2897be775df
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
85 20 20
86 15 15
87 24 24
88 25 25
89 316 316
90 33 33
91 17 17
92 1 1
96 19 19
97 21 21
98 4 4
99 19 19
100 67 67
101 77 77
102 40 40
103 741 741
104 74 74
105 76 76
106 12 12
107 2 2
108 1 1
110 1 1
111 10 10
112 5 5
113 19 19
114 22 22
115 25 25
116 31 31
117 335 335
118 39 39
119 42 42
120 3 3
121 1 1
126 6 6
127 14 14
128 9 9
129 373 373
130 67 67
131 103 103
132 20 20
133 252 252
134 37 37
135 24 24
136 2 2
138 1 1
139 1 1
140 1 1
141 7 7
142 11 11
143 52 52
144 9 9
145 15 15
146 5 5
147 999 999
148 164 164
149 109 109
150 13 13
151 7 7
152 2 2
153 2 2
154 5 5
155 2 2
156 3 3
157 256 256
158 42 42
159 28 28
160 263 263
161 69 69
162 18 18
163 33 33
164 6 6
165 4 4
168 5 5
169 19 19
170 3 3
171 4 4
172 12 12
173 15 15
174 5 5
175 19 19
176 3 3
177 23 23
178 6 6
179 3 3
180 3 3
181 2 2
182 6 6
183 1 1
185 1 1
186 9 9
187 6 6
188 6 6
189 85 85
190 28 28
191 45 45
192 8 8
193 4 4
194 1 1
196 3 3
198 1 1
200 3 3
201 29 29
202 9 9
203 17 17
204 95 95
205 548 548
206 110 110
207 60 60
208 12 12
209 1 1
210 2 2
214 21 21
215 7 7
216 10 10
217 341 341
218 79 79
219 39 39
220 7 7
221 21 21
222 5 5
227 1 1
228 2 2
229 70 70
230 26 26
231 21 21
232 9 9
233 30 30
234 10 10
235 18 18
236 3 3
237 3 3
240 2 2
241 1 1
242 5 5
243 6 6
244 7 7
245 6 6
246 5 5
247 12 12
248 2 2
249 1 1
251 1 1
254 2 2
258 1 1
259 4 4
262 3 3
264 1 1
265 2 2
267 1 1
268 10 10
269 2 2
270 2 2
273 3 3
274 5 5
275 2 2
277 17 17
278 6 6
279 1 1
280 1 1
288 1 1
291 24 24
292 7 7
293 3 3
300 3 3
303 1 1
304 2 2
305 16 16
306 8 8
307 23 23
308 5 5
309 1 1
318 9 9
319 367 367
320 129 129
321 64 64
322 12 12
323 2 2
325 1 1
332 1 1
337 1 1
344 1 1
347 1 1
376 3 3
380 1 1
410 1 1
414 1 1
480 1 1
482 1 1
//
system version 2.2.8-SNAPSHOT