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
//