ACCESSION: MSBNK-Kazusa-KZ000094
RECORD_TITLE: DL-2,6-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:200
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_05020_P000051

CH$NAME: DL-2,6-Diaminopimelic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₁₄N₂O₄
CH$EXACT_MASS: 190.09536
CH$SMILES: OC(=O)[C@@H](N)CCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
CH$LINK: CAS 2577-62-0
CH$LINK: KEGG C00680
CH$LINK: INCHIKEY GMKMEZVLHJARHF-WHFBIAKZSA-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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 919.162 sec

MS$FOCUSED_ION: BASE_PEAK 200
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0uk9-1980000000-1b092f9141e7549bee24
PK$NUM_PEAK: 217
PK$PEAK: m/z int. rel.int.
  82 356 356
  83 27 27
  84 5 5
  85 9 9
  86 15 15
  87 7 7
  88 6 6
  89 2 2
  90 5 5
  92 5 5
  94 1 1
  96 4 4
  97 4 4
  98 18 18
  99 7 7
  100 148 148
  101 29 29
  102 41 41
  103 19 19
  104 3 3
  105 3 3
  106 1 1
  107 1 1
  108 2 2
  109 19 19
  110 21 21
  111 3 3
  112 17 17
  113 6 6
  114 44 44
  115 40 40
  116 36 36
  117 29 29
  118 10 10
  119 7 7
  120 4 4
  121 1 1
  122 25 25
  123 3 3
  124 3 3
  125 1 1
  126 84 84
  127 20 20
  128 619 619
  129 82 82
  130 44 44
  131 31 31
  132 26 26
  133 48 48
  134 9 9
  135 5 5
  136 1 1
  137 1 1
  138 3 3
  139 2 2
  140 14 14
  141 7 7
  142 39 39
  143 9 9
  144 44 44
  145 9 9
  146 17 17
  147 292 292
  148 55 55
  149 32 32
  150 6 6
  151 2 2
  152 4 4
  153 2 2
  154 74 74
  155 87 87
  156 52 52
  157 15 15
  158 7 7
  159 5 5
  160 5 5
  161 3 3
  162 6 6
  163 5 5
  164 3 3
  165 5 5
  166 9 9
  167 4 4
  168 6 6
  169 3 3
  170 11 11
  171 16 16
  172 33 33
  173 10 10
  174 12 12
  175 3 3
  176 3 3
  177 2 2
  178 1 1
  179 1 1
  180 1 1
  181 90 90
  182 86 86
  183 24 24
  184 38 38
  185 6 6
  186 8 8
  187 2 2
  188 17 17
  189 5 5
  190 28 28
  191 28 28
  192 8 8
  193 5 5
  194 2 2
  195 1 1
  196 1 1
  197 1 1
  198 4 4
  199 3 3
  200 999 999
  201 152 152
  202 73 73
  203 14 14
  204 5 5
  205 2 2
  206 1 1
  207 1 1
  209 2 2
  210 1 1
  211 1 1
  212 1 1
  213 1 1
  214 6 6
  215 4 4
  216 9 9
  217 6 6
  218 67 67
  219 34 34
  220 12 12
  221 7 7
  222 2 2
  223 1 1
  226 1 1
  227 2 2
  228 9 9
  229 6 6
  230 16 16
  231 4 4
  232 7 7
  233 2 2
  234 1 1
  236 1 1
  238 1 1
  239 1 1
  240 1 1
  241 1 1
  242 5 5
  243 6 6
  244 9 9
  245 5 5
  246 4 4
  247 1 1
  248 1 1
  253 1 1
  254 1 1
  255 12 12
  256 8 8
  257 4 4
  258 3 3
  259 1 1
  260 2 2
  269 1 1
  270 1 1
  271 85 85
  272 770 770
  273 183 183
  274 78 78
  275 13 13
  276 2 2
  283 8 8
  284 7 7
  285 2 2
  286 1 1
  287 1 1
  291 1 1
  299 3 3
  300 1 1
  301 1 1
  302 1 1
  304 1 1
  317 1 1
  318 1 1
  344 1 1
  345 5 5
  346 13 13
  347 6 6
  348 3 3
  349 1 1
  355 2 2
  356 4 4
  357 1 1
  358 1 1
  359 1 1
  360 1 1
  361 7 7
  362 2 2
  363 1 1
  372 1 1
  373 25 25
  374 17 17
  375 7 7
  376 3 3
  388 1 1
  389 1 1
  463 3 3
  464 1 1
  477 6 6
  478 42 42
  479 19 19
  480 10 10
  481 3 3
//