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
//