ACCESSION: MSBNK-Kazusa-KZ000248
RECORD_TITLE: N-Acetyl-D-glucosamine; GC-EI-TOF; MS; 4 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01612_P000110

CH$NAME: N-Acetyl-D-glucosamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₁₅NO₆
CH$EXACT_MASS: 221.08994
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1
CH$IUPAC: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
CH$LINK: CAS 7512-17-6
CH$LINK: KEGG C00140
CH$LINK: INCHIKEY OVRNDRQMDRJTHS-RTRLPJTCSA-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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2030.5
AC$CHROMATOGRAPHY: RETENTION_TIME 931.312 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0ktb-1931000000-1c4cb4ec9b01c3571b7d
PK$NUM_PEAK: 273
PK$PEAK: m/z int. rel.int.
  82 30 30
  83 63 63
  84 30 30
  85 26 26
  86 39 39
  87 88 88
  88 22 22
  89 268 268
  90 25 25
  91 14 14
  92 3 3
  93 4 4
  94 5 5
  95 12 12
  96 20 20
  97 14 14
  98 14 14
  99 32 32
  100 79 79
  101 102 102
  102 54 54
  103 410 410
  104 42 42
  105 51 51
  106 8 8
  107 5 5
  108 4 4
  109 9 9
  110 7 7
  111 15 15
  112 20 20
  113 53 53
  114 65 65
  115 40 40
  116 111 111
  117 399 399
  118 47 47
  119 36 36
  120 6 6
  121 4 4
  122 3 3
  123 4 4
  124 3 3
  125 7 7
  126 14 14
  127 30 30
  128 24 24
  129 443 443
  130 74 74
  131 107 107
  132 28 28
  133 180 180
  134 27 27
  135 17 17
  136 2 2
  137 7 7
  138 4 4
  139 6 6
  140 9 9
  141 20 20
  142 24 24
  143 49 49
  144 38 38
  145 15 15
  146 6 6
  147 999 999
  148 163 163
  149 101 101
  150 12 12
  151 7 7
  152 7 7
  153 12 12
  154 17 17
  155 19 19
  156 32 32
  157 244 244
  158 54 54
  159 183 183
  160 29 29
  161 13 13
  162 7 7
  163 20 20
  164 4 4
  165 4 4
  166 4 4
  167 9 9
  168 14 14
  169 29 29
  170 24 24
  171 50 50
  172 19 19
  173 58 58
  174 14 14
  175 14 14
  176 4 4
  177 7 7
  178 3 3
  179 5 5
  180 4 4
  181 7 7
  182 7 7
  183 14 14
  184 6 6
  185 10 10
  186 17 17
  187 7 7
  188 8 8
  189 54 54
  190 20 20
  191 59 59
  192 12 12
  193 7 7
  194 3 3
  195 9 9
  196 6 6
  197 4 4
  198 4 4
  199 6 6
  200 6 6
  201 241 241
  202 125 125
  203 37 37
  204 86 86
  205 526 526
  206 106 106
  207 55 55
  208 8 8
  209 4 4
  210 7 7
  211 4 4
  212 4 4
  213 33 33
  214 12 12
  215 9 9
  216 9 9
  217 138 138
  218 31 31
  219 15 15
  220 4 4
  221 17 17
  222 5 5
  223 3 3
  224 2 2
  225 2 2
  226 2 2
  227 9 9
  228 6 6
  229 74 74
  230 39 39
  231 26 26
  232 10 10
  233 4 4
  234 2 2
  235 2 2
  236 1 1
  237 3 3
  238 2 2
  239 2 2
  240 3 3
  241 4 4
  242 8 8
  243 32 32
  244 16 16
  245 17 17
  246 18 18
  247 6 6
  248 2 2
  249 1 1
  250 1 1
  251 2 2
  252 1 1
  253 1 1
  254 2 2
  255 5 5
  256 4 4
  257 6 6
  258 11 11
  259 5 5
  260 5 5
  261 1 1
  262 1 1
  263 1 1
  265 2 2
  267 1 1
  268 3 3
  269 5 5
  270 5 5
  271 4 4
  272 3 3
  273 3 3
  274 20 20
  275 8 8
  276 4 4
  277 10 10
  278 4 4
  279 2 2
  281 1 1
  282 1 1
  283 1 1
  284 5 5
  285 11 11
  286 5 5
  287 2 2
  288 1 1
  290 2 2
  291 14 14
  292 4 4
  293 3 3
  294 1 1
  295 1 1
  297 1 1
  299 1 1
  300 3 3
  301 2 2
  302 2 2
  303 11 11
  304 4 4
  305 11 11
  306 4 4
  307 5 5
  308 1 1
  309 2 2
  310 3 3
  311 1 1
  314 3 3
  315 38 38
  316 11 11
  317 5 5
  318 20 20
  319 315 315
  320 98 98
  321 47 47
  322 10 10
  323 2 2
  327 1 1
  328 1 1
  331 1 1
  332 3 3
  333 5 5
  334 2 2
  341 1 1
  342 1 1
  343 1 1
  344 1 1
  345 3 3
  346 1 1
  347 1 1
  358 1 1
  359 1 1
  360 1 1
  361 1 1
  372 1 1
  373 1 1
  374 2 2
  375 1 1
  376 1 1
  384 1 1
  385 1 1
  399 3 3
  400 1 1
  401 1 1
  405 2 2
  406 1 1
  417 1 1
  431 1 1
  432 1 1
  433 1 1
  448 1 1
  488 1 1
  489 5 5
  490 3 3
  491 2 2
  492 1 1
//