MassBank Record: MSBNK-Osaka_Univ-OUF00444
ACCESSION: MSBNK-Osaka_Univ-OUF00444
RECORD_TITLE: L-Rhamnose; GC-EI-TOF; MS; n TMS; RT:647.243 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$NAME: L-Rhamnose
CH$NAME: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H12O5
CH$EXACT_MASS: 164.06848
CH$SMILES: C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
CH$IUPAC: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1
CH$LINK: CAS
3615-41-6
CH$LINK: CHEBI
16055
CH$LINK: CHEMSPIDER
18150
CH$LINK: COMPTOX
DTXSID7042647
CH$LINK: INCHIKEY
PNNNRSAQSRJVSB-BXKVDMCESA-N
CH$LINK: KEGG
C01684
CH$LINK: PUBCHEM
CID:19233
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$CHROMATOGRAPHY: RETENTION_INDEX 1699.565
AC$CHROMATOGRAPHY: RETENTION_TIME 647.243 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-0910000000-a3998948f1f154365fea
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
85 9 9
86 8 8
87 9 9
88 3 3
89 53 53
90 5 5
91 3 3
97 1 1
98 2 2
99 7 7
100 28 28
101 27 27
102 14 14
103 21 21
104 2 2
105 23 23
106 2 2
107 1 1
108 1 1
111 2 2
112 3 3
113 3 3
114 16 16
115 22 22
116 11 11
117 999 999
118 102 102
119 42 42
120 3 3
126 2 2
127 7 7
128 5 5
129 58 58
130 19 19
131 59 59
132 8 8
133 52 52
134 7 7
135 4 4
140 1 1
141 2 2
142 7 7
143 18 18
144 3 3
145 7 7
146 1 1
147 134 134
148 21 21
149 17 17
150 2 2
151 1 1
154 1 1
155 1 1
156 2 2
157 2 2
158 4 4
159 2 2
160 159 159
161 54 54
162 11 11
163 10 10
164 1 1
165 1 1
170 1 1
171 3 3
172 3 3
173 4 4
174 2 2
175 2 2
177 1 1
182 2 2
183 1 1
186 1 1
188 1 1
189 13 13
190 4 4
191 12 12
192 2 2
193 1 1
200 1 1
201 11 11
202 2 2
203 14 14
204 18 18
205 5 5
206 2 2
207 2 2
212 1 1
214 1 1
215 1 1
216 6 6
217 15 15
218 5 5
219 21 21
220 4 4
221 4 4
222 1 1
228 3 3
229 1 1
230 1 1
231 11 11
232 5 5
233 16 16
234 7 7
235 2 2
244 2 2
245 1 1
246 2 2
256 3 3
262 2 2
271 1 1
274 4 4
275 1 1
277 41 41
278 13 13
279 6 6
280 1 1
291 3 3
292 1 1
293 2 2
302 1 1
305 3 3
306 1 1
321 16 16
322 5 5
323 2 2
364 2 2
//