MassBank Record: KZ000151



 L-Aspartic acid; GC-EI-TOF; MS; 3 TMS; BP:232 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000151
RECORD_TITLE: L-Aspartic acid; GC-EI-TOF; MS; 3 TMS; BP:232
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_05047_P000036

CH$NAME: L-Aspartic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H7NO4 CH$EXACT_MASS: 133.03751 CH$SMILES: OC(=O)CC(N)C(O)=O CH$IUPAC: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 56-84-8 CH$LINK: KEGG C00049 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621
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$CHROMATOGRAPHY: RETENTION_TIME 730.162 sec
MS$FOCUSED_ION: BASE_PEAK 232 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f89-0950000000-9e175dfa17a8b17a72d2 PK$NUM_PEAK: 137 PK$PEAK: m/z int. rel.int. 82 5 5 83 10 10 84 41 41 85 17 17 86 40 40 87 16 16 88 10 10 89 11 11 90 2 2 91 4 4 92 3 3 93 24 24 94 2 2 95 9 9 96 3 3 97 3 3 98 32 32 99 27 27 100 789 789 101 110 110 102 46 46 103 55 55 104 6 6 105 9 9 106 1 1 108 1 1 110 2 2 111 1 1 112 3 3 113 6 6 114 15 15 115 46 46 116 28 28 117 160 160 118 19 19 119 29 29 120 3 3 121 2 2 124 1 1 126 5 5 127 2 2 128 20 20 129 17 17 130 68 68 131 59 59 132 45 45 133 133 133 134 21 21 135 12 12 136 1 1 140 3 3 141 2 2 142 42 42 143 15 15 144 16 16 145 5 5 146 14 14 147 398 398 148 62 62 149 58 58 150 7 7 151 3 3 152 1 1 154 3 3 155 1 1 156 2 2 157 2 2 158 9 9 159 6 6 160 14 14 161 6 6 162 2 2 163 42 42 164 7 7 165 3 3 168 1 1 169 1 1 170 4 4 171 5 5 172 23 23 173 7 7 174 39 39 175 8 8 176 7 7 177 8 8 178 1 1 179 1 1 184 3 3 185 1 1 186 2 2 187 1 1 188 111 111 189 23 23 190 12 12 191 7 7 192 1 1 193 1 1 200 3 3 201 1 1 202 89 89 203 14 14 204 22 22 205 8 8 206 3 3 207 2 2 208 1 1 214 2 2 215 3 3 216 49 49 217 11 11 218 175 175 219 34 34 220 15 15 221 11 11 222 2 2 223 1 1 230 8 8 231 8 8 232 999 999 233 150 150 234 70 70 235 8 8 236 1 1 244 8 8 245 11 11 246 5 5 247 1 1 262 1 1 291 1 1 292 3 3 293 1 1 305 1 1 306 8 8 307 1 1 333 1 1 334 1 1 349 1 1 //

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