MassBank Record: MSBNK-Osaka_Univ-OUF00445
ACCESSION: MSBNK-Osaka_Univ-OUF00445
RECORD_TITLE: L-Rhamnose; GC-EI-TOF; MS; n TMS; RT:651.493 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$CHROMATOGRAPHY: RETENTION_INDEX 1709.289
AC$CHROMATOGRAPHY: RETENTION_TIME 651.493 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-0900000000-09ff33efc7ead61776ac
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
85 9 9
86 4 4
87 7 7
88 1 1
89 76 76
90 6 6
91 2 2
98 1 1
99 6 6
100 45 45
101 26 26
102 18 18
103 58 58
104 6 6
105 19 19
106 3 3
108 2 2
111 1 1
112 1 1
113 4 4
114 7 7
115 21 21
116 9 9
117 999 999
118 109 109
119 46 46
120 2 2
126 3 3
127 6 6
128 3 3
129 55 55
130 21 21
131 63 63
132 9 9
133 77 77
134 11 11
135 7 7
142 2 2
143 26 26
144 5 5
145 4 4
147 129 129
148 20 20
149 14 14
150 1 1
155 1 1
158 1 1
160 173 173
161 66 66
162 13 13
163 10 10
164 1 1
165 1 1
171 6 6
172 5 5
173 3 3
174 2 2
175 2 2
177 4 4
181 1 1
182 1 1
185 1 1
186 1 1
188 1 1
189 13 13
190 2 2
191 10 10
192 1 1
200 1 1
201 14 14
202 2 2
203 12 12
204 15 15
205 9 9
206 1 1
207 1 1
214 3 3
215 1 1
217 5 5
218 1 1
219 24 24
220 4 4
221 3 3
231 10 10
232 3 3
233 31 31
234 8 8
235 4 4
244 1 1
270 2 2
274 1 1
277 44 44
278 15 15
279 7 7
291 2 2
293 1 1
302 1 1
321 17 17
322 5 5
323 1 1
337 2 2
//