MassBank Record: PR010145



 D,L-alpha,epsilon-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: CAS 2577-62-0
AC$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 //