MassBank Record: KZ000149



 L-Aspartic acid; GC-EI-TOF; MS; 3 TMS; BP:100 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000149
RECORD_TITLE: L-Aspartic acid; GC-EI-TOF; MS; 3 TMS; BP:100
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_04850_P000045

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$CHROMATOGRAPHY: RETENTION_TIME 1170.27 sec
MS$FOCUSED_ION: BASE_PEAK 100 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f89-0950000000-51399a8446c394459765 PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 82 8 8 83 15 15 84 53 53 85 23 23 86 47 47 87 23 23 88 13 13 89 15 15 90 3 3 91 6 6 92 2 2 93 10 10 94 1 1 95 3 3 96 2 2 97 2 2 98 32 32 99 29 29 100 999 999 101 153 153 102 80 80 103 68 68 104 10 10 105 14 14 106 1 1 107 1 1 110 4 4 111 1 1 112 2 2 113 5 5 114 16 16 115 50 50 116 39 39 117 208 208 118 30 30 119 39 39 120 5 5 121 1 1 124 2 2 126 3 3 127 2 2 128 23 23 129 17 17 130 91 91 131 78 78 132 59 59 133 152 152 134 31 31 135 20 20 136 1 1 140 1 1 141 1 1 142 32 32 143 15 15 144 17 17 145 6 6 146 15 15 147 459 459 148 93 93 149 91 91 150 10 10 151 5 5 154 2 2 156 1 1 157 2 2 158 9 9 159 6 6 160 28 28 161 9 9 162 3 3 163 58 58 164 13 13 165 6 6 170 2 2 171 3 3 172 28 28 173 9 9 174 38 38 175 10 10 176 9 9 177 8 8 178 2 2 179 1 1 184 4 4 186 1 1 187 1 1 188 186 186 189 45 45 190 25 25 191 12 12 192 3 3 193 3 3 200 4 4 202 173 173 203 30 30 204 42 42 205 13 13 206 5 5 207 3 3 208 1 1 214 1 1 215 2 2 216 54 54 217 15 15 218 174 174 219 44 44 220 25 25 221 14 14 222 2 2 223 1 1 230 9 9 231 9 9 232 963 963 233 254 254 234 153 153 235 27 27 236 5 5 237 1 1 238 1 1 244 10 10 245 12 12 246 6 6 247 2 2 306 1 1 //

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