MassBank Record: KZ000150



 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: KZ000150
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_04850_P000046

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$CHROMATOGRAPHY: RETENTION_TIME 1171.72 sec
MS$FOCUSED_ION: BASE_PEAK 232 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f89-0950000000-f07e7f52b3c31fd119f5 PK$NUM_PEAK: 150 PK$PEAK: m/z int. rel.int. 82 2 2 83 7 7 84 30 30 85 14 14 86 29 29 87 13 13 88 9 9 89 8 8 91 2 2 93 1 1 95 1 1 96 4 4 97 3 3 98 39 39 99 27 27 100 914 914 101 100 100 102 47 47 103 52 52 104 5 5 105 8 8 106 1 1 110 1 1 111 1 1 112 4 4 113 8 8 114 20 20 115 59 59 116 24 24 117 191 191 118 26 26 119 40 40 120 3 3 121 4 4 124 2 2 125 1 1 126 5 5 128 24 24 129 18 18 130 70 70 131 71 71 132 54 54 133 151 151 134 30 30 135 17 17 136 4 4 137 1 1 140 4 4 141 4 4 142 61 61 143 23 23 144 23 23 145 7 7 146 13 13 147 421 421 148 85 85 149 68 68 150 12 12 151 4 4 152 1 1 153 1 1 154 2 2 155 2 2 156 3 3 157 3 3 158 12 12 159 6 6 161 8 8 162 2 2 163 52 52 164 8 8 165 4 4 166 1 1 167 1 1 168 1 1 169 1 1 170 4 4 171 7 7 172 23 23 173 9 9 174 38 38 175 8 8 176 9 9 177 12 12 178 2 2 179 1 1 180 1 1 181 1 1 184 3 3 185 1 1 186 2 2 187 1 1 188 36 36 189 20 20 190 12 12 191 6 6 192 1 1 193 1 1 194 1 1 199 1 1 200 2 2 201 3 3 202 37 37 203 13 13 204 16 16 205 8 8 206 4 4 207 2 2 208 1 1 209 1 1 210 1 1 212 1 1 213 1 1 214 3 3 215 5 5 216 57 57 217 16 16 218 240 240 219 56 56 220 25 25 221 16 16 222 5 5 223 2 2 228 1 1 230 7 7 231 10 10 232 999 999 233 155 155 234 33 33 235 3 3 236 1 1 244 7 7 245 5 5 246 3 3 261 1 1 262 3 3 263 1 1 264 1 1 290 1 1 291 3 3 292 10 10 293 5 5 305 6 6 306 12 12 307 5 5 308 1 1 333 5 5 335 1 1 348 2 2 349 2 2 //

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