ACCESSION: MSBNK-RIKEN-PR010145
RECORD_TITLE: D,L-alpha,epsilon-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D,L-alpha,epsilon-Diaminopimelic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₁₄N₂O₄
CH$EXACT_MASS: 190.09536
CH$SMILES: OC(=O)C(N)CCCC(N)C(O)=O
CH$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-/m1/s1
CH$LINK: CAS 2577-62-0
CH$LINK: INCHIKEY GMKMEZVLHJARHF-RFZPGFLSSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1973.2
AC$CHROMATOGRAPHY: RETENTION_TIME 471.508 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C19H46N2O4Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 478.25346
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9750000000-2f0ee62b29d2831286d9
PK$NUM_PEAK: 177
PK$PEAK: m/z int. rel.int.
  60 11 11
  61 10 10
  62 2 2
  63 2 2
  65 1 1
  66 3 3
  67 3 3
  68 1 1
  69 1 1
  70 10 10
  71 5 5
  72 21 21
  73 999 999
  74 114 114
  75 90 90
  76 9 9
  77 40 40
  78 3 3
  79 4 4
  80 6 6
  81 3 3
  82 183 183
  83 14 14
  84 6 6
  85 6 6
  86 9 9
  87 4 4
  88 3 3
  89 2 2
  90 3 3
  92 4 4
  93 3 3
  94 1 1
  95 1 1
  96 2 2
  97 2 2
  98 9 9
  99 4 4
  100 78 78
  101 15 15
  102 21 21
  103 16 16
  104 2 2
  105 2 2
  108 2 2
  109 10 10
  110 12 12
  111 2 2
  112 9 9
  113 3 3
  114 23 23
  115 22 22
  116 20 20
  117 18 18
  118 5 5
  119 4 4
  120 2 2
  122 12 12
  123 1 1
  124 1 1
  126 34 34
  127 8 8
  128 242 242
  129 38 38
  130 22 22
  131 19 19
  132 15 15
  133 27 27
  134 5 5
  135 3 3
  138 2 2
  139 1 1
  140 6 6
  141 3 3
  142 15 15
  143 3 3
  144 17 17
  145 3 3
  146 8 8
  147 124 124
  148 23 23
  149 14 14
  150 2 2
  151 1 1
  152 2 2
  153 1 1
  154 35 35
  155 41 41
  156 23 23
  157 7 7
  158 3 3
  159 2 2
  160 2 2
  161 1 1
  162 3 3
  163 2 2
  164 1 1
  165 2 2
  166 5 5
  167 2 2
  168 3 3
  169 2 2
  170 5 5
  171 7 7
  172 16 16
  173 4 4
  174 5 5
  175 1 1
  176 1 1
  177 1 1
  180 1 1
  181 43 43
  182 41 41
  183 10 10
  184 20 20
  185 3 3
  186 4 4
  187 1 1
  188 8 8
  189 2 2
  190 12 12
  191 11 11
  192 3 3
  193 2 2
  194 1 1
  198 1 1
  199 1 1
  200 407 407
  201 61 61
  202 27 27
  203 5 5
  204 2 2
  205 1 1
  214 1 1
  215 1 1
  216 3 3
  217 2 2
  218 22 22
  219 12 12
  220 4 4
  221 2 2
  227 1 1
  228 3 3
  229 2 2
  230 6 6
  231 1 1
  232 3 3
  242 2 2
  243 2 2
  244 4 4
  245 2 2
  246 1 1
  255 6 6
  256 4 4
  257 1 1
  258 1 1
  260 1 1
  271 25 25
  272 242 242
  273 60 60
  274 24 24
  275 4 4
  283 2 2
  284 2 2
  299 1 1
  345 1 1
  346 3 3
  347 1 1
  361 2 2
  373 6 6
  374 4 4
  375 2 2
  463 1 1
  477 2 2
  478 11 11
  479 5 5
  480 2 2
//