MassBank Record: KZ000027



 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: KZ000027
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_01490_P000150

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$CHROMATOGRAPHY: RETENTION_INDEX 1987.4 AC$CHROMATOGRAPHY: RETENTION_TIME 915.463 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: splash10-0umi-1950000000-749403a0eb6d05c7903e PK$NUM_PEAK: 222 PK$PEAK: m/z int. rel.int. 82 556 556 83 51 51 84 31 31 85 23 23 86 35 35 87 19 19 88 12 12 89 10 10 90 11 11 91 3 3 92 14 14 93 18 18 94 6 6 95 9 9 96 9 9 97 11 11 98 37 37 99 17 17 100 306 306 101 58 58 102 81 81 103 83 83 104 11 11 105 10 10 106 3 3 107 4 4 108 10 10 109 41 41 110 48 48 111 9 9 112 38 38 113 15 15 114 84 84 115 82 82 116 72 72 117 63 63 118 19 19 119 15 15 120 7 7 121 3 3 122 29 29 123 4 4 124 5 5 125 3 3 126 120 120 127 31 31 128 833 833 129 137 137 130 88 88 131 77 77 132 60 60 133 106 106 134 20 20 135 11 11 136 2 2 137 2 2 138 7 7 139 4 4 140 23 23 141 12 12 142 54 54 143 12 12 144 54 54 145 11 11 146 33 33 147 481 481 148 91 91 149 55 55 150 11 11 151 4 4 152 8 8 153 5 5 154 133 133 155 157 157 156 94 94 157 27 27 158 14 14 159 9 9 160 9 9 161 6 6 162 9 9 163 9 9 164 4 4 165 10 10 166 19 19 167 8 8 168 11 11 169 6 6 170 19 19 171 26 26 172 54 54 173 14 14 174 20 20 175 5 5 176 4 4 177 3 3 178 1 1 179 1 1 180 3 3 181 142 142 182 147 147 183 37 37 184 73 73 185 11 11 186 13 13 187 3 3 188 25 25 189 7 7 190 37 37 191 35 35 192 9 9 193 6 6 194 3 3 195 1 1 196 1 1 197 1 1 198 6 6 199 5 5 200 999 999 201 180 180 202 87 87 203 19 19 204 6 6 205 3 3 206 2 2 207 2 2 208 1 1 209 3 3 210 2 2 211 1 1 212 2 2 213 1 1 214 7 7 215 5 5 216 11 11 217 7 7 218 86 86 219 44 44 220 16 16 221 10 10 222 3 3 223 1 1 224 1 1 225 1 1 226 2 2 227 3 3 228 14 14 229 8 8 230 22 22 231 6 6 232 10 10 233 2 2 234 1 1 236 1 1 237 1 1 238 1 1 239 2 2 240 1 1 241 1 1 242 7 7 243 8 8 244 13 13 245 7 7 246 5 5 247 2 2 248 1 1 253 1 1 254 2 2 255 20 20 256 14 14 257 5 5 258 5 5 259 1 1 260 4 4 261 1 1 270 1 1 271 75 75 272 656 656 273 175 175 274 72 72 275 12 12 276 2 2 283 10 10 284 9 9 285 3 3 286 1 1 287 2 2 288 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 4 4 346 12 12 347 5 5 348 2 2 355 1 1 356 3 3 357 1 1 359 1 1 360 1 1 361 4 4 362 1 1 372 2 2 373 21 21 374 15 15 375 6 6 376 2 2 388 1 1 389 1 1 463 2 2 464 1 1 477 6 6 478 29 29 479 15 15 480 7 7 481 2 2 //

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