ACCESSION: MSBNK-Osaka_Univ-OUF00247
RECORD_TITLE: L-Glucose; GC-EI-TOF; MS; n TMS; RT:731.643 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$CHROMATOGRAPHY: RETENTION_INDEX 1897.831
AC$CHROMATOGRAPHY: RETENTION_TIME 731.643 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0ktb-0921000000-704c811ee0524988bb44
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
  85 19 19
  86 14 14
  87 26 26
  88 25 25
  89 324 324
  90 36 36
  91 19 19
  93 4 4
  94 3 3
  96 14 14
  97 23 23
  98 7 7
  99 23 23
  100 75 75
  101 79 79
  102 44 44
  103 757 757
  104 79 79
  105 83 83
  106 11 11
  107 2 2
  111 15 15
  112 6 6
  113 20 20
  114 20 20
  115 27 27
  116 31 31
  117 334 334
  118 43 43
  119 46 46
  120 4 4
  121 5 5
  125 4 4
  126 8 8
  127 13 13
  128 13 13
  129 390 390
  130 74 74
  131 105 105
  132 19 19
  133 292 292
  134 40 40
  135 22 22
  138 2 2
  140 3 3
  141 7 7
  142 10 10
  143 50 50
  144 8 8
  145 16 16
  146 3 3
  147 999 999
  148 161 161
  149 99 99
  150 15 15
  151 7 7
  152 5 5
  154 4 4
  155 7 7
  156 5 5
  157 269 269
  158 48 48
  159 28 28
  160 380 380
  161 82 82
  162 25 25
  163 37 37
  164 5 5
  165 1 1
  166 1 1
  168 4 4
  169 21 21
  170 5 5
  171 6 6
  172 15 15
  173 15 15
  174 8 8
  175 19 19
  176 4 4
  177 26 26
  178 8 8
  179 3 3
  180 4 4
  181 1 1
  182 6 6
  184 4 4
  185 3 3
  186 13 13
  187 8 8
  188 4 4
  189 91 91
  190 34 34
  191 51 51
  192 13 13
  193 5 5
  196 4 4
  198 4 4
  199 3 3
  200 3 3
  201 29 29
  202 9 9
  203 15 15
  204 90 90
  205 532 532
  206 111 111
  207 62 62
  208 8 8
  209 2 2
  210 4 4
  214 19 19
  215 10 10
  216 10 10
  217 264 264
  218 58 58
  219 31 31
  220 7 7
  221 22 22
  222 7 7
  223 4 4
  226 1 1
  228 3 3
  229 75 75
  230 26 26
  231 20 20
  232 5 5
  233 40 40
  234 12 12
  235 24 24
  236 5 5
  237 3 3
  238 2 2
  239 1 1
  240 5 5
  241 1 1
  242 7 7
  243 6 6
  244 7 7
  245 6 6
  246 7 7
  247 5 5
  249 3 3
  252 1 1
  256 3 3
  259 2 2
  262 3 3
  263 2 2
  264 1 1
  268 6 6
  269 5 5
  270 3 3
  273 4 4
  274 8 8
  275 5 5
  276 1 1
  277 19 19
  278 7 7
  279 2 2
  280 2 2
  284 1 1
  288 1 1
  290 1 1
  291 26 26
  292 8 8
  293 2 2
  300 5 5
  302 3 3
  303 1 1
  304 1 1
  305 15 15
  306 11 11
  307 19 19
  308 1 1
  309 1 1
  311 1 1
  313 1 1
  314 1 1
  316 1 1
  317 2 2
  318 13 13
  319 371 371
  320 129 129
  321 67 67
  322 15 15
  323 3 3
  331 4 4
  333 2 2
  334 1 1
  337 3 3
  338 1 1
  341 1 1
  342 1 1
  344 2 2
  345 1 1
  347 1 1
  366 1 1
  371 1 1
  376 3 3
  381 1 1
  383 1 1
  389 1 1
  408 2 2
  437 1 1
  442 1 1
  458 1 1
  467 1 1
  468 1 1
  470 1 1
  489 1 1
  493 1 1
//