ACCESSION: MSBNK-Osaka_Univ-OUF00246
RECORD_TITLE: L-Glucose; GC-EI-TOF; MS; n TMS; RT:723.043 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$NAME: L-Glucose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OCC(O)C(O)C(O)C(O)C=O
CH$IUPAC: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1
CH$LINK: CAS 921-60-8
CH$LINK: CHEBI 37626
CH$LINK: CHEMSPIDER 9129332
CH$LINK: PUBCHEM CID:10954115
CH$LINK: INCHIKEY GZCGUPFRVQAUEE-VANKVMQKSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 1877.108
AC$CHROMATOGRAPHY: RETENTION_TIME 723.043 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-066s-0931000000-a654a96dad0048091931
PK$NUM_PEAK: 221
PK$PEAK: m/z int. rel.int.
  85 20 20
  86 25 25
  87 25 25
  88 23 23
  89 255 255
  90 25 25
  91 14 14
  92 2 2
  93 1 1
  94 2 2
  95 2 2
  96 3 3
  97 12 12
  98 7 7
  99 22 22
  100 55 55
  101 79 79
  102 42 42
  103 455 455
  104 48 48
  105 106 106
  106 12 12
  107 5 5
  108 1 1
  109 1 1
  110 5 5
  111 11 11
  112 8 8
  113 19 19
  114 47 47
  115 32 32
  116 30 30
  117 341 341
  118 37 37
  119 34 34
  120 4 4
  121 2 2
  124 1 1
  125 3 3
  126 8 8
  127 16 16
  128 17 17
  129 382 382
  130 77 77
  131 104 104
  132 19 19
  133 234 234
  134 32 32
  135 21 21
  136 2 2
  137 1 1
  138 2 2
  139 2 2
  140 4 4
  141 9 9
  142 20 20
  143 54 54
  144 10 10
  145 26 26
  146 8 8
  147 999 999
  148 162 162
  149 105 105
  150 13 13
  151 7 7
  152 3 3
  153 1 1
  154 4 4
  155 5 5
  156 6 6
  157 272 272
  158 52 52
  159 22 22
  160 476 476
  161 89 89
  162 27 27
  163 32 32
  164 5 5
  165 3 3
  166 1 1
  167 1 1
  168 5 5
  169 11 11
  170 6 6
  171 4 4
  172 13 13
  173 16 16
  174 8 8
  175 17 17
  176 4 4
  177 15 15
  178 3 3
  179 2 2
  180 3 3
  181 2 2
  182 2 2
  183 1 1
  184 2 2
  185 3 3
  186 10 10
  187 4 4
  188 4 4
  189 93 93
  190 29 29
  191 54 54
  192 11 11
  193 6 6
  194 1 1
  195 1 1
  196 2 2
  197 1 1
  198 3 3
  199 1 1
  200 4 4
  201 24 24
  202 9 9
  203 16 16
  204 104 104
  205 514 514
  206 107 107
  207 57 57
  208 9 9
  209 3 3
  210 10 10
  211 2 2
  212 1 1
  213 1 1
  214 4 4
  215 11 11
  216 28 28
  217 317 317
  218 72 72
  219 33 33
  220 6 6
  221 23 23
  222 6 6
  223 3 3
  224 1 1
  227 1 1
  228 4 4
  229 73 73
  230 24 24
  231 33 33
  232 14 14
  233 18 18
  234 11 11
  235 3 3
  236 1 1
  237 1 1
  240 4 4
  241 1 1
  242 4 4
  243 7 7
  244 10 10
  245 6 6
  246 10 10
  247 5 5
  248 1 1
  253 1 1
  254 1 1
  255 1 1
  256 4 4
  257 1 1
  258 1 1
  259 3 3
  260 2 2
  261 1 1
  262 12 12
  263 4 4
  264 1 1
  265 2 2
  266 1 1
  268 3 3
  269 7 7
  270 3 3
  271 1 1
  274 12 12
  275 4 4
  276 3 3
  277 14 14
  278 6 6
  279 3 3
  286 1 1
  290 1 1
  291 24 24
  292 9 9
  293 5 5
  300 6 6
  301 1 1
  302 2 2
  303 1 1
  304 2 2
  305 23 23
  306 10 10
  307 17 17
  308 4 4
  309 2 2
  317 1 1
  318 12 12
  319 393 393
  320 131 131
  321 65 65
  322 15 15
  323 4 4
  330 1 1
  331 1 1
  332 2 2
  333 2 2
  343 4 4
  344 3 3
  345 1 1
  358 1 1
  364 7 7
  365 3 3
  366 1 1
  374 3 3
  375 1 1
  376 2 2
  377 1 1
  464 1 1
  466 1 1
//