MassBank Record: KZ000094



 DL-2,6-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:200 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000094
RECORD_TITLE: DL-2,6-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:200
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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