MassBank Record: KZ000041



 L-Asparagine; GC-EI-TOF; MS; 3 TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000041
RECORD_TITLE: L-Asparagine; GC-EI-TOF; MS; 3 TMS; BP:116
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_01550_P000214

CH$NAME: L-Asparagine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H8N2O3 CH$EXACT_MASS: 132.05349 CH$SMILES: NC(=O)C[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 70-47-3 CH$LINK: KEGG C00152 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220
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 1770.9 AC$CHROMATOGRAPHY: RETENTION_TIME 827.663 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0159-0910000000-bedf57998656ab5ebc16 PK$NUM_PEAK: 149 PK$PEAK: m/z int. rel.int. 82 5 5 83 6 6 84 65 65 85 18 18 86 42 42 87 16 16 88 8 8 89 11 11 90 17 17 91 5 5 92 3 3 93 4 4 94 1 1 95 3 3 96 3 3 97 4 4 98 51 51 99 19 19 100 280 280 101 40 40 102 32 32 103 39 39 104 5 5 105 6 6 106 1 1 110 4 4 111 5 5 112 4 4 113 10 10 114 65 65 115 100 100 116 999 999 117 132 132 118 52 52 119 11 11 120 2 2 121 1 1 123 1 1 124 1 1 125 26 26 126 8 8 127 9 9 128 52 52 129 22 22 130 106 106 131 164 164 132 439 439 133 118 118 134 30 30 135 8 8 136 1 1 139 3 3 140 10 10 141 491 491 142 87 87 143 40 40 144 40 40 145 7 7 146 23 23 147 440 440 148 79 79 149 59 59 150 7 7 151 3 3 153 6 6 154 37 37 155 5 5 156 6 6 157 4 4 158 12 12 159 85 85 160 14 14 161 6 6 162 1 1 163 4 4 164 1 1 168 1 1 169 17 17 170 5 5 171 6 6 172 24 24 173 7 7 174 17 17 175 4 4 176 4 4 177 2 2 178 1 1 183 1 1 184 2 2 185 1 1 186 2 2 187 1 1 188 221 221 189 49 49 190 37 37 191 7 7 192 2 2 197 1 1 198 1 1 199 7 7 200 4 4 201 5 5 202 84 84 203 21 21 204 27 27 205 6 6 206 5 5 207 1 1 208 1 1 213 15 15 214 9 9 215 43 43 216 27 27 217 13 13 218 85 85 219 17 17 220 9 9 221 2 2 227 1 1 228 2 2 229 6 6 230 5 5 231 376 376 232 88 88 233 36 36 234 6 6 235 1 1 241 4 4 242 6 6 243 32 32 244 13 13 245 9 9 246 2 2 258 47 47 259 14 14 260 5 5 261 1 1 262 3 3 263 1 1 292 1 1 316 7 7 317 4 4 318 1 1 333 16 16 334 5 5 335 2 2 348 12 12 349 4 4 350 1 1 //

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